Program PWSCF v.5.1.1 starts on 19Jul2015 at 16:29:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 18 5 1027 384 65 Max 34 19 6 1034 406 72 Sum 1617 869 261 49509 19093 3191 bravais-lattice index = 14 lattice parameter (alat) = 7.9334 a.u. unit-cell volume = 499.3280 (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)= 7.933448 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: /home/autes/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: /home/autes/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: E 1 3C2 -3C2 2 -2 4 -4 3 -3 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 6C4 7 8 15 16 12 11 8C3 17 19 20 18 24 21 22 23 i 25 3s_h-3s_h 26 -26 28 -28 27 -27 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 6S4 31 32 39 40 36 35 8S6 41 43 44 42 48 45 46 47 -E -1 -6C4 -7 -8 -15 -16 -12 -11 -8C3 -17 -19 -20 -18 -24 -21 -22 -23 -i -25 -6S4 -31 -32 -39 -40 -36 -35 -8S6 -41 -43 -44 -42 -48 -45 -46 -47 Cartesian axes number of k points= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461538 0.0461538), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538461 0.0538461), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461538 0.1461538), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461538 0.2461538), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538461 0.3538461), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461538 0.4461538), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538461 0.4538461), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867924), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132075), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377358), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867925), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132076), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377359), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 Dense grid: 49509 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19093 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 106, 36) NL pseudopotentials 0.10 Mb ( 53, 118) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 1029) G-vector shells 0.00 Mb ( 294) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 106, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) 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 40.8 secs Computing kpt #: 2 total cpu time spent up to now is 41.8 secs Computing kpt #: 3 total cpu time spent up to now is 42.7 secs Computing kpt #: 4 total cpu time spent up to now is 43.5 secs Computing kpt #: 5 total cpu time spent up to now is 44.2 secs Computing kpt #: 6 total cpu time spent up to now is 45.0 secs Computing kpt #: 7 total cpu time spent up to now is 45.6 secs Computing kpt #: 8 total cpu time spent up to now is 46.3 secs Computing kpt #: 9 total cpu time spent up to now is 46.9 secs Computing kpt #: 10 total cpu time spent up to now is 47.5 secs Computing kpt #: 11 total cpu time spent up to now is 48.1 secs Computing kpt #: 12 total cpu time spent up to now is 48.8 secs Computing kpt #: 13 total cpu time spent up to now is 49.4 secs Computing kpt #: 14 total cpu time spent up to now is 50.0 secs Computing kpt #: 15 total cpu time spent up to now is 50.7 secs Computing kpt #: 16 total cpu time spent up to now is 51.4 secs Computing kpt #: 17 total cpu time spent up to now is 52.0 secs Computing kpt #: 18 total cpu time spent up to now is 52.6 secs Computing kpt #: 19 total cpu time spent up to now is 53.2 secs Computing kpt #: 20 total cpu time spent up to now is 53.9 secs Computing kpt #: 21 total cpu time spent up to now is 54.7 secs Computing kpt #: 22 total cpu time spent up to now is 55.4 secs Computing kpt #: 23 total cpu time spent up to now is 56.0 secs Computing kpt #: 24 total cpu time spent up to now is 56.7 secs Computing kpt #: 25 total cpu time spent up to now is 57.3 secs Computing kpt #: 26 total cpu time spent up to now is 58.0 secs Computing kpt #: 27 total cpu time spent up to now is 58.6 secs Computing kpt #: 28 total cpu time spent up to now is 59.3 secs Computing kpt #: 29 total cpu time spent up to now is 59.9 secs Computing kpt #: 30 total cpu time spent up to now is 60.6 secs Computing kpt #: 31 total cpu time spent up to now is 61.3 secs Computing kpt #: 32 total cpu time spent up to now is 61.9 secs Computing kpt #: 33 total cpu time spent up to now is 62.5 secs Computing kpt #: 34 total cpu time spent up to now is 63.1 secs Computing kpt #: 35 total cpu time spent up to now is 63.8 secs Computing kpt #: 36 total cpu time spent up to now is 64.4 secs Computing kpt #: 37 total cpu time spent up to now is 65.0 secs Computing kpt #: 38 total cpu time spent up to now is 65.5 secs Computing kpt #: 39 total cpu time spent up to now is 66.2 secs Computing kpt #: 40 total cpu time spent up to now is 66.8 secs Computing kpt #: 41 total cpu time spent up to now is 67.4 secs Computing kpt #: 42 total cpu time spent up to now is 68.0 secs Computing kpt #: 43 total cpu time spent up to now is 68.6 secs Computing kpt #: 44 total cpu time spent up to now is 69.2 secs Computing kpt #: 45 total cpu time spent up to now is 69.8 secs Computing kpt #: 46 total cpu time spent up to now is 70.4 secs Computing kpt #: 47 total cpu time spent up to now is 71.0 secs Computing kpt #: 48 total cpu time spent up to now is 71.7 secs Computing kpt #: 49 total cpu time spent up to now is 72.3 secs Computing kpt #: 50 total cpu time spent up to now is 73.0 secs Computing kpt #: 51 total cpu time spent up to now is 73.6 secs Computing kpt #: 52 total cpu time spent up to now is 74.2 secs Computing kpt #: 53 total cpu time spent up to now is 74.9 secs Computing kpt #: 54 total cpu time spent up to now is 75.5 secs Computing kpt #: 55 total cpu time spent up to now is 76.1 secs Computing kpt #: 56 total cpu time spent up to now is 76.8 secs Computing kpt #: 57 total cpu time spent up to now is 77.5 secs Computing kpt #: 58 total cpu time spent up to now is 78.3 secs Computing kpt #: 59 total cpu time spent up to now is 79.1 secs Computing kpt #: 60 total cpu time spent up to now is 80.0 secs Computing kpt #: 61 total cpu time spent up to now is 80.9 secs Computing kpt #: 62 total cpu time spent up to now is 82.0 secs Computing kpt #: 63 total cpu time spent up to now is 83.2 secs Computing kpt #: 64 total cpu time spent up to now is 84.3 secs Computing kpt #: 65 total cpu time spent up to now is 85.2 secs Computing kpt #: 66 total cpu time spent up to now is 86.1 secs Computing kpt #: 67 total cpu time spent up to now is 87.1 secs Computing kpt #: 68 total cpu time spent up to now is 88.0 secs Computing kpt #: 69 total cpu time spent up to now is 89.0 secs Computing kpt #: 70 total cpu time spent up to now is 89.9 secs Computing kpt #: 71 total cpu time spent up to now is 90.9 secs Computing kpt #: 72 total cpu time spent up to now is 91.9 secs Computing kpt #: 73 total cpu time spent up to now is 92.8 secs Computing kpt #: 74 total cpu time spent up to now is 93.7 secs Computing kpt #: 75 total cpu time spent up to now is 94.6 secs Computing kpt #: 76 total cpu time spent up to now is 95.6 secs Computing kpt #: 77 total cpu time spent up to now is 96.4 secs Computing kpt #: 78 total cpu time spent up to now is 97.3 secs Computing kpt #: 79 total cpu time spent up to now is 98.2 secs Computing kpt #: 80 total cpu time spent up to now is 99.1 secs Computing kpt #: 81 total cpu time spent up to now is 99.9 secs Computing kpt #: 82 total cpu time spent up to now is 100.8 secs Computing kpt #: 83 total cpu time spent up to now is 101.6 secs Computing kpt #: 84 total cpu time spent up to now is 102.5 secs Computing kpt #: 85 total cpu time spent up to now is 103.4 secs Computing kpt #: 86 total cpu time spent up to now is 104.3 secs Computing kpt #: 87 total cpu time spent up to now is 105.3 secs Computing kpt #: 88 total cpu time spent up to now is 106.1 secs Computing kpt #: 89 total cpu time spent up to now is 107.2 secs Computing kpt #: 90 total cpu time spent up to now is 108.2 secs Computing kpt #: 91 total cpu time spent up to now is 109.2 secs Computing kpt #: 92 total cpu time spent up to now is 110.2 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.9 secs Computing kpt #: 94 total cpu time spent up to now is 112.9 secs Computing kpt #: 95 total cpu time spent up to now is 113.8 secs Computing kpt #: 96 total cpu time spent up to now is 114.7 secs Computing kpt #: 97 total cpu time spent up to now is 115.5 secs Computing kpt #: 98 total cpu time spent up to now is 116.3 secs Computing kpt #: 99 total cpu time spent up to now is 117.1 secs Computing kpt #: 100 total cpu time spent up to now is 117.9 secs Computing kpt #: 101 total cpu time spent up to now is 118.7 secs Computing kpt #: 102 total cpu time spent up to now is 119.5 secs Computing kpt #: 103 total cpu time spent up to now is 120.4 secs Computing kpt #: 104 total cpu time spent up to now is 121.4 secs Computing kpt #: 105 total cpu time spent up to now is 122.3 secs Computing kpt #: 106 total cpu time spent up to now is 123.2 secs Computing kpt #: 107 total cpu time spent up to now is 124.2 secs Computing kpt #: 108 total cpu time spent up to now is 124.9 secs Computing kpt #: 109 total cpu time spent up to now is 125.5 secs Computing kpt #: 110 total cpu time spent up to now is 126.2 secs Computing kpt #: 111 total cpu time spent up to now is 126.9 secs Computing kpt #: 112 total cpu time spent up to now is 127.6 secs Computing kpt #: 113 total cpu time spent up to now is 128.3 secs Computing kpt #: 114 total cpu time spent up to now is 128.9 secs Computing kpt #: 115 total cpu time spent up to now is 129.7 secs Computing kpt #: 116 total cpu time spent up to now is 130.4 secs Computing kpt #: 117 total cpu time spent up to now is 131.7 secs Computing kpt #: 118 total cpu time spent up to now is 132.7 secs Computing kpt #: 119 total cpu time spent up to now is 133.4 secs Computing kpt #: 120 total cpu time spent up to now is 134.1 secs Computing kpt #: 121 total cpu time spent up to now is 134.8 secs Computing kpt #: 122 total cpu time spent up to now is 135.5 secs Computing kpt #: 123 total cpu time spent up to now is 136.2 secs Computing kpt #: 124 total cpu time spent up to now is 136.9 secs Computing kpt #: 125 total cpu time spent up to now is 137.6 secs Computing kpt #: 126 total cpu time spent up to now is 138.4 secs Computing kpt #: 127 total cpu time spent up to now is 139.2 secs Computing kpt #: 128 total cpu time spent up to now is 140.1 secs Computing kpt #: 129 total cpu time spent up to now is 140.9 secs Computing kpt #: 130 total cpu time spent up to now is 141.8 secs Computing kpt #: 131 total cpu time spent up to now is 142.7 secs Computing kpt #: 132 total cpu time spent up to now is 143.2 secs Computing kpt #: 133 total cpu time spent up to now is 143.8 secs Computing kpt #: 134 total cpu time spent up to now is 144.5 secs Computing kpt #: 135 total cpu time spent up to now is 145.5 secs Computing kpt #: 136 total cpu time spent up to now is 146.6 secs Computing kpt #: 137 total cpu time spent up to now is 147.5 secs Computing kpt #: 138 total cpu time spent up to now is 148.4 secs Computing kpt #: 139 total cpu time spent up to now is 149.3 secs Computing kpt #: 140 total cpu time spent up to now is 150.3 secs Computing kpt #: 141 total cpu time spent up to now is 151.3 secs Computing kpt #: 142 total cpu time spent up to now is 152.7 secs Computing kpt #: 143 total cpu time spent up to now is 154.0 secs Computing kpt #: 144 total cpu time spent up to now is 155.5 secs Computing kpt #: 145 total cpu time spent up to now is 156.9 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.6 secs Computing kpt #: 147 total cpu time spent up to now is 159.5 secs Computing kpt #: 148 total cpu time spent up to now is 160.3 secs Computing kpt #: 149 total cpu time spent up to now is 161.0 secs Computing kpt #: 150 total cpu time spent up to now is 161.7 secs Computing kpt #: 151 total cpu time spent up to now is 162.4 secs Computing kpt #: 152 total cpu time spent up to now is 163.2 secs Computing kpt #: 153 total cpu time spent up to now is 163.9 secs Computing kpt #: 154 total cpu time spent up to now is 164.6 secs Computing kpt #: 155 total cpu time spent up to now is 165.4 secs Computing kpt #: 156 total cpu time spent up to now is 166.1 secs Computing kpt #: 157 total cpu time spent up to now is 166.9 secs Computing kpt #: 158 total cpu time spent up to now is 167.6 secs Computing kpt #: 159 total cpu time spent up to now is 168.6 secs Computing kpt #: 160 total cpu time spent up to now is 169.5 secs Computing kpt #: 161 total cpu time spent up to now is 170.6 secs Computing kpt #: 162 total cpu time spent up to now is 171.6 secs Computing kpt #: 163 total cpu time spent up to now is 172.8 secs Computing kpt #: 164 total cpu time spent up to now is 174.2 secs Computing kpt #: 165 total cpu time spent up to now is 175.9 secs Computing kpt #: 166 total cpu time spent up to now is 177.1 secs Computing kpt #: 167 total cpu time spent up to now is 178.4 secs Computing kpt #: 168 total cpu time spent up to now is 179.3 secs Computing kpt #: 169 total cpu time spent up to now is 180.2 secs Computing kpt #: 170 total cpu time spent up to now is 181.0 secs Computing kpt #: 171 total cpu time spent up to now is 181.8 secs Computing kpt #: 172 total cpu time spent up to now is 182.6 secs Computing kpt #: 173 total cpu time spent up to now is 183.3 secs Computing kpt #: 174 total cpu time spent up to now is 184.0 secs Computing kpt #: 175 total cpu time spent up to now is 184.7 secs Computing kpt #: 176 total cpu time spent up to now is 185.4 secs Computing kpt #: 177 total cpu time spent up to now is 186.2 secs Computing kpt #: 178 total cpu time spent up to now is 186.9 secs Computing kpt #: 179 total cpu time spent up to now is 187.6 secs Computing kpt #: 180 total cpu time spent up to now is 188.3 secs Computing kpt #: 181 total cpu time spent up to now is 189.1 secs Computing kpt #: 182 total cpu time spent up to now is 189.8 secs Computing kpt #: 183 total cpu time spent up to now is 190.6 secs Computing kpt #: 184 total cpu time spent up to now is 191.5 secs Computing kpt #: 185 total cpu time spent up to now is 192.6 secs Computing kpt #: 186 total cpu time spent up to now is 193.5 secs Computing kpt #: 187 total cpu time spent up to now is 194.4 secs Computing kpt #: 188 total cpu time spent up to now is 195.3 secs Computing kpt #: 189 total cpu time spent up to now is 196.2 secs Computing kpt #: 190 total cpu time spent up to now is 197.2 secs Computing kpt #: 191 total cpu time spent up to now is 198.1 secs Computing kpt #: 192 total cpu time spent up to now is 199.2 secs Computing kpt #: 193 total cpu time spent up to now is 200.3 secs Computing kpt #: 194 total cpu time spent up to now is 201.3 secs Computing kpt #: 195 total cpu time spent up to now is 202.7 secs Computing kpt #: 196 total cpu time spent up to now is 204.0 secs Computing kpt #: 197 total cpu time spent up to now is 205.5 secs Computing kpt #: 198 total cpu time spent up to now is 206.8 secs Computing kpt #: 199 total cpu time spent up to now is 208.3 secs Computing kpt #: 200 total cpu time spent up to now is 209.8 secs Computing kpt #: 201 total cpu time spent up to now is 211.2 secs Computing kpt #: 202 total cpu time spent up to now is 212.5 secs Computing kpt #: 203 total cpu time spent up to now is 213.6 secs Computing kpt #: 204 total cpu time spent up to now is 214.6 secs Computing kpt #: 205 total cpu time spent up to now is 215.9 secs Computing kpt #: 206 total cpu time spent up to now is 217.3 secs Computing kpt #: 207 total cpu time spent up to now is 218.6 secs Computing kpt #: 208 total cpu time spent up to now is 219.8 secs Computing kpt #: 209 total cpu time spent up to now is 220.7 secs Computing kpt #: 210 total cpu time spent up to now is 221.5 secs Computing kpt #: 211 total cpu time spent up to now is 222.4 secs Computing kpt #: 212 total cpu time spent up to now is 223.2 secs Computing kpt #: 213 total cpu time spent up to now is 224.0 secs Computing kpt #: 214 total cpu time spent up to now is 224.8 secs Computing kpt #: 215 total cpu time spent up to now is 225.7 secs Computing kpt #: 216 total cpu time spent up to now is 226.5 secs Computing kpt #: 217 total cpu time spent up to now is 227.3 secs Computing kpt #: 218 total cpu time spent up to now is 228.2 secs Computing kpt #: 219 total cpu time spent up to now is 229.0 secs Computing kpt #: 220 total cpu time spent up to now is 229.9 secs Computing kpt #: 221 total cpu time spent up to now is 230.8 secs Computing kpt #: 222 total cpu time spent up to now is 231.7 secs Computing kpt #: 223 total cpu time spent up to now is 232.7 secs Computing kpt #: 224 total cpu time spent up to now is 233.5 secs Computing kpt #: 225 total cpu time spent up to now is 234.3 secs Computing kpt #: 226 total cpu time spent up to now is 235.0 secs Computing kpt #: 227 total cpu time spent up to now is 235.7 secs Computing kpt #: 228 total cpu time spent up to now is 236.4 secs Computing kpt #: 229 total cpu time spent up to now is 237.1 secs Computing kpt #: 230 total cpu time spent up to now is 237.8 secs Computing kpt #: 231 total cpu time spent up to now is 238.4 secs Computing kpt #: 232 total cpu time spent up to now is 239.0 secs Computing kpt #: 233 total cpu time spent up to now is 239.6 secs Computing kpt #: 234 total cpu time spent up to now is 240.2 secs Computing kpt #: 235 total cpu time spent up to now is 240.9 secs Computing kpt #: 236 total cpu time spent up to now is 241.6 secs Computing kpt #: 237 total cpu time spent up to now is 242.2 secs Computing kpt #: 238 total cpu time spent up to now is 242.9 secs Computing kpt #: 239 total cpu time spent up to now is 243.5 secs Computing kpt #: 240 total cpu time spent up to now is 244.1 secs Computing kpt #: 241 total cpu time spent up to now is 244.8 secs Computing kpt #: 242 total cpu time spent up to now is 245.4 secs Computing kpt #: 243 total cpu time spent up to now is 246.1 secs Computing kpt #: 244 total cpu time spent up to now is 246.8 secs Computing kpt #: 245 total cpu time spent up to now is 247.5 secs Computing kpt #: 246 total cpu time spent up to now is 248.1 secs Computing kpt #: 247 total cpu time spent up to now is 248.8 secs Computing kpt #: 248 total cpu time spent up to now is 249.4 secs Computing kpt #: 249 total cpu time spent up to now is 250.0 secs Computing kpt #: 250 total cpu time spent up to now is 250.6 secs Computing kpt #: 251 total cpu time spent up to now is 251.2 secs Computing kpt #: 252 total cpu time spent up to now is 251.9 secs Computing kpt #: 253 total cpu time spent up to now is 252.8 secs Computing kpt #: 254 total cpu time spent up to now is 253.6 secs Computing kpt #: 255 total cpu time spent up to now is 254.4 secs Computing kpt #: 256 total cpu time spent up to now is 255.2 secs Computing kpt #: 257 total cpu time spent up to now is 256.1 secs Computing kpt #: 258 total cpu time spent up to now is 256.9 secs Computing kpt #: 259 total cpu time spent up to now is 257.8 secs Computing kpt #: 260 total cpu time spent up to now is 258.6 secs Computing kpt #: 261 total cpu time spent up to now is 259.5 secs Computing kpt #: 262 total cpu time spent up to now is 260.4 secs Computing kpt #: 263 total cpu time spent up to now is 261.2 secs Computing kpt #: 264 total cpu time spent up to now is 262.1 secs Computing kpt #: 265 total cpu time spent up to now is 262.9 secs Computing kpt #: 266 total cpu time spent up to now is 263.7 secs Computing kpt #: 267 total cpu time spent up to now is 264.7 secs Computing kpt #: 268 total cpu time spent up to now is 265.5 secs Computing kpt #: 269 total cpu time spent up to now is 266.5 secs Computing kpt #: 270 total cpu time spent up to now is 267.4 secs Computing kpt #: 271 total cpu time spent up to now is 268.3 secs Computing kpt #: 272 total cpu time spent up to now is 269.3 secs Computing kpt #: 273 total cpu time spent up to now is 270.4 secs Computing kpt #: 274 total cpu time spent up to now is 271.7 secs Computing kpt #: 275 total cpu time spent up to now is 272.9 secs Computing kpt #: 276 total cpu time spent up to now is 273.9 secs Computing kpt #: 277 total cpu time spent up to now is 275.0 secs Computing kpt #: 278 total cpu time spent up to now is 276.0 secs Computing kpt #: 279 total cpu time spent up to now is 276.9 secs Computing kpt #: 280 total cpu time spent up to now is 277.6 secs Computing kpt #: 281 total cpu time spent up to now is 278.5 secs Computing kpt #: 282 total cpu time spent up to now is 279.4 secs Computing kpt #: 283 total cpu time spent up to now is 280.2 secs Computing kpt #: 284 total cpu time spent up to now is 281.3 secs Computing kpt #: 285 total cpu time spent up to now is 282.4 secs Computing kpt #: 286 total cpu time spent up to now is 283.6 secs Computing kpt #: 287 total cpu time spent up to now is 284.9 secs Computing kpt #: 288 total cpu time spent up to now is 286.2 secs Computing kpt #: 289 total cpu time spent up to now is 287.6 secs Computing kpt #: 290 total cpu time spent up to now is 288.9 secs Computing kpt #: 291 total cpu time spent up to now is 290.2 secs ethr = 3.57E-11, avg # of iterations = 39.8 total cpu time spent up to now is 290.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6206 -8.6206 -7.4877 -7.4877 -7.4877 -7.4877 -5.3174 -5.3174 2.2960 2.2960 2.5025 2.5025 2.5378 2.5378 2.5378 2.5378 3.6099 3.6099 3.6099 3.6099 8.5394 8.5394 8.5394 8.5394 8.5435 8.5435 11.6295 11.6295 11.6295 11.6295 11.6312 11.6312 12.9500 12.9500 k = 0.0000 0.0132-0.0000 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6207 -8.6207 -7.4881 -7.4881 -7.4876 -7.4876 -5.3164 -5.3164 2.2699 2.2699 2.5075 2.5075 2.5381 2.5381 2.5501 2.5501 3.6105 3.6105 3.6213 3.6213 8.5340 8.5340 8.5361 8.5361 8.5420 8.5420 11.6139 11.6139 11.6357 11.6357 11.6369 11.6369 12.9518 12.9518 k = 0.0000 0.0263-0.0000 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6211 -8.6211 -7.4894 -7.4894 -7.4875 -7.4875 -5.3137 -5.3137 2.2069 2.2069 2.5124 2.5124 2.5390 2.5390 2.5822 2.5822 3.6123 3.6123 3.6549 3.6549 8.5182 8.5182 8.5210 8.5210 8.5430 8.5430 11.5682 11.5682 11.6544 11.6544 11.6555 11.6555 12.9573 12.9573 k = 0.0000 0.0395-0.0000 ( 2385 PWs) bands (ev): -25.8040 -25.8040 -8.6216 -8.6216 -7.4914 -7.4914 -7.4872 -7.4872 -5.3092 -5.3092 2.1256 2.1256 2.5155 2.5155 2.5405 2.5405 2.6193 2.6193 3.6152 3.6152 3.7087 3.7087 8.4924 8.4924 8.4955 8.4955 8.5456 8.5456 11.4985 11.4985 11.6848 11.6848 11.6860 11.6860 12.9663 12.9663 k = 0.0000 0.0526-0.0000 ( 2381 PWs) bands (ev): -25.8039 -25.8039 -8.6224 -8.6224 -7.4943 -7.4943 -7.4868 -7.4868 -5.3029 -5.3029 2.0343 2.0343 2.5184 2.5184 2.5426 2.5426 2.6540 2.6540 3.6192 3.6192 3.7802 3.7802 8.4574 8.4574 8.4607 8.4607 8.5493 8.5493 11.4113 11.4113 11.7260 11.7260 11.7272 11.7272 12.9789 12.9789 k = 0.0000 0.0658-0.0000 ( 2389 PWs) bands (ev): -25.8038 -25.8038 -8.6234 -8.6234 -7.4980 -7.4980 -7.4863 -7.4863 -5.2948 -5.2948 1.9370 1.9370 2.5216 2.5216 2.5453 2.5453 2.6846 2.6846 3.6244 3.6244 3.8663 3.8663 8.4140 8.4140 8.4177 8.4177 8.5540 8.5540 11.3124 11.3124 11.7768 11.7768 11.7780 11.7780 12.9951 12.9951 k = 0.0000 0.0789-0.0000 ( 2381 PWs) bands (ev): -25.8037 -25.8037 -8.6247 -8.6247 -7.5023 -7.5023 -7.4856 -7.4856 -5.2851 -5.2851 1.8361 1.8361 2.5254 2.5254 2.5486 2.5486 2.7114 2.7114 3.6307 3.6307 3.9642 3.9642 8.3633 8.3633 8.3675 8.3675 8.5598 8.5598 11.2056 11.2056 11.8357 11.8357 11.8370 11.8370 13.0146 13.0146 k = 0.0000 0.0921-0.0000 ( 2381 PWs) bands (ev): -25.8035 -25.8035 -8.6261 -8.6261 -7.5073 -7.5073 -7.4849 -7.4849 -5.2738 -5.2738 1.7330 1.7330 2.5297 2.5297 2.5524 2.5524 2.7352 2.7352 3.6380 3.6380 4.0715 4.0715 8.3063 8.3063 8.3110 8.3110 8.5665 8.5665 11.0941 11.0941 11.9011 11.9011 11.9026 11.9026 13.0374 13.0374 k = 0.0000 0.1053-0.0000 ( 2381 PWs) bands (ev): -25.8033 -25.8033 -8.6277 -8.6277 -7.5130 -7.5130 -7.4841 -7.4841 -5.2609 -5.2609 1.6288 1.6288 2.5345 2.5345 2.5567 2.5567 2.7569 2.7569 3.6464 3.6464 4.1860 4.1860 8.2443 8.2443 8.2495 8.2495 8.5742 8.5742 10.9799 10.9799 11.9714 11.9714 11.9730 11.9730 13.0633 13.0633 k = 0.0000 0.1184-0.0000 ( 2393 PWs) bands (ev): -25.8031 -25.8031 -8.6296 -8.6296 -7.5191 -7.5191 -7.4832 -7.4832 -5.2466 -5.2466 1.5242 1.5242 2.5399 2.5399 2.5616 2.5616 2.7771 2.7771 3.6558 3.6558 4.3063 4.3063 8.1781 8.1781 8.1839 8.1839 8.5827 8.5827 10.8644 10.8644 12.0447 12.0447 12.0465 12.0465 13.0921 13.0921 k = 0.0000 0.1316-0.0000 ( 2401 PWs) bands (ev): -25.8029 -25.8029 -8.6316 -8.6316 -7.5258 -7.5258 -7.4822 -7.4822 -5.2310 -5.2310 1.4200 1.4200 2.5459 2.5459 2.5669 2.5669 2.7964 2.7964 3.6662 3.6662 4.4309 4.4309 8.1086 8.1086 8.1152 8.1152 8.5922 8.5922 10.7486 10.7486 12.1192 12.1192 12.1213 12.1213 13.1237 13.1237 k = 0.0000 0.1447-0.0000 ( 2397 PWs) bands (ev): -25.8027 -25.8027 -8.6339 -8.6339 -7.5329 -7.5329 -7.4811 -7.4811 -5.2141 -5.2141 1.3166 1.3166 2.5524 2.5524 2.5727 2.5727 2.8152 2.8152 3.6775 3.6775 4.5588 4.5588 8.0368 8.0368 8.0441 8.0441 8.6025 8.6025 10.6333 10.6333 12.1931 12.1931 12.1955 12.1955 13.1576 13.1576 k = 0.0000 0.1579-0.0000 ( 2405 PWs) bands (ev): -25.8024 -25.8024 -8.6363 -8.6363 -7.5403 -7.5403 -7.4800 -7.4800 -5.1960 -5.1960 1.2143 1.2143 2.5593 2.5593 2.5790 2.5790 2.8336 2.8336 3.6897 3.6897 4.6892 4.6892 7.9634 7.9634 7.9714 7.9714 8.6135 8.6135 10.5192 10.5192 12.2645 12.2645 12.2674 12.2674 13.1935 13.1935 k = 0.0000 0.1711-0.0000 ( 2401 PWs) bands (ev): -25.8021 -25.8021 -8.6388 -8.6388 -7.5480 -7.5480 -7.4787 -7.4787 -5.1769 -5.1769 1.1136 1.1136 2.5667 2.5667 2.5856 2.5856 2.8520 2.8520 3.7027 3.7027 4.8214 4.8214 7.8891 7.8891 7.8979 7.8979 8.6253 8.6253 10.4067 10.4067 12.3316 12.3316 12.3351 12.3351 13.2308 13.2308 k = 0.0000 0.1842-0.0000 ( 2393 PWs) bands (ev): -25.8018 -25.8018 -8.6416 -8.6416 -7.5559 -7.5559 -7.4775 -7.4775 -5.1568 -5.1568 1.0148 1.0148 2.5745 2.5745 2.5926 2.5926 2.8703 2.8703 3.7164 3.7164 4.9548 4.9548 7.8144 7.8144 7.8240 7.8240 8.6377 8.6377 10.2962 10.2962 12.3930 12.3930 12.3970 12.3970 13.2690 13.2690 k = 0.0000 0.1974-0.0000 ( 2393 PWs) bands (ev): -25.8016 -25.8016 -8.6444 -8.6444 -7.5639 -7.5639 -7.4762 -7.4762 -5.1360 -5.1360 0.9180 0.9180 2.5826 2.5826 2.5999 2.5999 2.8886 2.8886 3.7308 3.7308 5.0887 5.0887 7.7399 7.7399 7.7504 7.7504 8.6507 8.6507 10.1880 10.1880 12.4471 12.4471 12.4518 12.4518 13.3072 13.3072 k = 0.0000 0.2105-0.0000 ( 2393 PWs) bands (ev): -25.8013 -25.8013 -8.6474 -8.6474 -7.5720 -7.5720 -7.4748 -7.4748 -5.1145 -5.1145 0.8235 0.8235 2.5911 2.5911 2.6075 2.6075 2.9069 2.9069 3.7457 3.7457 5.2228 5.2228 7.6660 7.6660 7.6774 7.6774 8.6642 8.6642 10.0824 10.0824 12.4930 12.4930 12.4984 12.4984 13.3444 13.3444 k = 0.0000 0.2237-0.0000 ( 2393 PWs) bands (ev): -25.8009 -25.8009 -8.6505 -8.6505 -7.5801 -7.5801 -7.4734 -7.4734 -5.0925 -5.0925 0.7315 0.7315 2.5999 2.5999 2.6154 2.6154 2.9253 2.9253 3.7612 3.7612 5.3566 5.3566 7.5932 7.5932 7.6055 7.6055 8.6782 8.6782 9.9797 9.9797 12.5301 12.5301 12.5363 12.5363 13.3795 13.3795 k = 0.0000 0.2368-0.0000 ( 2393 PWs) bands (ev): -25.8006 -25.8006 -8.6537 -8.6537 -7.5881 -7.5881 -7.4720 -7.4720 -5.0701 -5.0701 0.6422 0.6422 2.6088 2.6088 2.6234 2.6234 2.9436 2.9436 3.7772 3.7772 5.4895 5.4895 7.5219 7.5219 7.5351 7.5351 8.6924 8.6924 9.8800 9.8800 12.5582 12.5582 12.5651 12.5651 13.4110 13.4110 k = 0.0000 0.2500-0.0000 ( 2373 PWs) bands (ev): -25.8003 -25.8003 -8.6569 -8.6569 -7.5960 -7.5960 -7.4706 -7.4706 -5.0473 -5.0473 0.5557 0.5557 2.6180 2.6180 2.6316 2.6316 2.9618 2.9618 3.7934 3.7934 5.6211 5.6211 7.4522 7.4522 7.4664 7.4664 8.7070 8.7070 9.7836 9.7836 12.5777 12.5777 12.5853 12.5853 13.4376 13.4376 k = 0.0000 0.2632-0.0000 ( 2389 PWs) bands (ev): -25.8000 -25.8000 -8.6602 -8.6602 -7.6038 -7.6038 -7.4692 -7.4692 -5.0245 -5.0245 0.4724 0.4724 2.6272 2.6272 2.6398 2.6398 2.9798 2.9798 3.8098 3.8098 5.7509 5.7509 7.3846 7.3846 7.3998 7.3998 8.7217 8.7217 9.6907 9.6907 12.5894 12.5894 12.5976 12.5976 13.4580 13.4580 k = 0.0000 0.2763-0.0000 ( 2389 PWs) bands (ev): -25.7997 -25.7997 -8.6636 -8.6636 -7.6113 -7.6113 -7.4678 -7.4678 -5.0017 -5.0017 0.3922 0.3922 2.6365 2.6365 2.6481 2.6481 2.9975 2.9975 3.8264 3.8264 5.8785 5.8785 7.3193 7.3193 7.3355 7.3355 8.7364 8.7364 9.6014 9.6014 12.5940 12.5940 12.6028 12.6028 13.4713 13.4713 k = 0.0000 0.2895-0.0000 ( 2384 PWs) bands (ev): -25.7994 -25.7994 -8.6669 -8.6669 -7.6186 -7.6186 -7.4664 -7.4664 -4.9791 -4.9791 0.3155 0.3155 2.6457 2.6457 2.6563 2.6563 3.0149 3.0149 3.8430 3.8430 6.0034 6.0034 7.2566 7.2566 7.2737 7.2737 8.7511 8.7511 9.5161 9.5161 12.5928 12.5928 12.6020 12.6020 13.4775 13.4775 k = 0.0000 0.3026-0.0000 ( 2388 PWs) bands (ev): -25.7991 -25.7991 -8.6702 -8.6702 -7.6256 -7.6256 -7.4650 -7.4650 -4.9568 -4.9568 0.2423 0.2423 2.6549 2.6549 2.6644 2.6644 3.0319 3.0319 3.8594 3.8594 6.1250 6.1250 7.1966 7.1966 7.2147 7.2147 8.7657 8.7657 9.4347 9.4347 12.5869 12.5869 12.5963 12.5963 13.4771 13.4771 k = 0.0000 0.3158-0.0000 ( 2376 PWs) bands (ev): -25.7988 -25.7988 -8.6734 -8.6734 -7.6322 -7.6322 -7.4637 -7.4637 -4.9349 -4.9349 0.1729 0.1729 2.6639 2.6639 2.6725 2.6725 3.0484 3.0484 3.8757 3.8757 6.2428 6.2428 7.1396 7.1396 7.1586 7.1586 8.7800 8.7800 9.3576 9.3576 12.5772 12.5772 12.5869 12.5869 13.4713 13.4713 k = 0.0000 0.3289-0.0000 ( 2376 PWs) bands (ev): -25.7985 -25.7985 -8.6766 -8.6766 -7.6385 -7.6385 -7.4624 -7.4624 -4.9137 -4.9137 0.1073 0.1073 2.6727 2.6727 2.6802 2.6802 3.0642 3.0642 3.8915 3.8915 6.3562 6.3562 7.0857 7.0857 7.1057 7.1057 8.7940 8.7940 9.2849 9.2849 12.5648 12.5648 12.5747 12.5747 13.4616 13.4616 k = 0.0000 0.3421-0.0000 ( 2376 PWs) bands (ev): -25.7982 -25.7982 -8.6796 -8.6796 -7.6445 -7.6445 -7.4612 -7.4612 -4.8933 -4.8933 0.0458 0.0458 2.6812 2.6812 2.6878 2.6878 3.0792 3.0792 3.9069 3.9069 6.4647 6.4647 7.0351 7.0351 7.0560 7.0560 8.8075 8.8075 9.2167 9.2167 12.5505 12.5505 12.5605 12.5605 13.4494 13.4494 k = 0.0000 0.3553-0.0000 ( 2376 PWs) bands (ev): -25.7980 -25.7980 -8.6825 -8.6825 -7.6500 -7.6500 -7.4600 -7.4600 -4.8738 -4.8738 -0.0115 -0.0115 2.6893 2.6893 2.6950 2.6950 3.0935 3.0935 3.9216 3.9216 6.5676 6.5676 6.9880 6.9880 7.0098 7.0098 8.8204 8.8204 9.1533 9.1533 12.5352 12.5352 12.5452 12.5452 13.4360 13.4360 k = 0.0000 0.3684-0.0000 ( 2376 PWs) bands (ev): -25.7977 -25.7977 -8.6853 -8.6853 -7.6550 -7.6550 -7.4589 -7.4589 -4.8554 -4.8554 -0.0644 -0.0644 2.6970 2.6970 2.7018 2.7018 3.1069 3.1069 3.9356 3.9356 6.6644 6.6644 6.9445 6.9445 6.9671 6.9671 8.8326 8.8326 9.0947 9.0947 12.5195 12.5195 12.5295 12.5295 13.4225 13.4225 k = 0.0000 0.3816-0.0000 ( 2376 PWs) bands (ev): -25.7975 -25.7975 -8.6879 -8.6879 -7.6597 -7.6597 -7.4579 -7.4579 -4.8382 -4.8382 -0.1129 -0.1129 2.7042 2.7042 2.7082 2.7082 3.1192 3.1192 3.9488 3.9488 6.7544 6.7544 6.9047 6.9047 6.9281 6.9281 8.8441 8.8441 9.0412 9.0412 12.5039 12.5039 12.5139 12.5139 13.4096 13.4096 k = 0.0000 0.3947-0.0000 ( 2384 PWs) bands (ev): -25.7973 -25.7973 -8.6903 -8.6903 -7.6639 -7.6639 -7.4570 -7.4570 -4.8224 -4.8224 -0.1567 -0.1567 2.7108 2.7108 2.7140 2.7140 3.1305 3.1305 3.9609 3.9609 6.8369 6.8369 6.8690 6.8690 6.8929 6.8929 8.8546 8.8546 8.9928 8.9928 12.4889 12.4889 12.4988 12.4988 13.3978 13.3978 k = 0.0000 0.4079-0.0000 ( 2396 PWs) bands (ev): -25.7971 -25.7971 -8.6924 -8.6924 -7.6676 -7.6676 -7.4562 -7.4562 -4.8081 -4.8081 -0.1957 -0.1957 2.7168 2.7168 2.7193 2.7193 3.1407 3.1407 3.9719 3.9719 6.8368 6.8368 6.8616 6.8616 6.9117 6.9117 8.8642 8.8642 8.9498 8.9498 12.4748 12.4748 12.4847 12.4847 13.3874 13.3874 k = 0.0000 0.4211-0.0000 ( 2396 PWs) bands (ev): -25.7970 -25.7970 -8.6944 -8.6944 -7.6708 -7.6708 -7.4554 -7.4554 -4.7954 -4.7954 -0.2297 -0.2297 2.7222 2.7222 2.7240 2.7240 3.1496 3.1496 3.9817 3.9817 6.8089 6.8089 6.8344 6.8344 6.9777 6.9777 8.8727 8.8727 8.9123 8.9123 12.4621 12.4621 12.4719 12.4719 13.3787 13.3787 k = 0.0000 0.4342-0.0000 ( 2392 PWs) bands (ev): -25.7968 -25.7968 -8.6960 -8.6960 -7.6735 -7.6735 -7.4548 -7.4548 -4.7845 -4.7845 -0.2587 -0.2587 2.7268 2.7268 2.7281 2.7281 3.1573 3.1573 3.9902 3.9902 6.7852 6.7852 6.8111 6.8111 7.0346 7.0346 8.8793 8.8793 8.8809 8.8809 12.4509 12.4509 12.4607 12.4607 13.3716 13.3716 k = 0.0000 0.4474-0.0000 ( 2392 PWs) bands (ev): -25.7967 -25.7967 -8.6974 -8.6974 -7.6758 -7.6758 -7.4543 -7.4543 -4.7754 -4.7754 -0.2827 -0.2827 2.7306 2.7306 2.7315 2.7315 3.1637 3.1637 3.9972 3.9972 6.7657 6.7657 6.7920 6.7920 7.0819 7.0819 8.8539 8.8539 8.8861 8.8861 12.4415 12.4415 12.4512 12.4512 13.3661 13.3661 k = 0.0000 0.4605-0.0000 ( 2384 PWs) bands (ev): -25.7966 -25.7966 -8.6985 -8.6985 -7.6775 -7.6775 -7.4539 -7.4539 -4.7682 -4.7682 -0.3013 -0.3013 2.7336 2.7336 2.7341 2.7341 3.1686 3.1686 4.0028 4.0028 6.7504 6.7504 6.7771 6.7771 7.1192 7.1192 8.8334 8.8334 8.8909 8.8909 12.4340 12.4340 12.4437 12.4437 13.3620 13.3620 k = 0.0000 0.4737-0.0000 ( 2384 PWs) bands (ev): -25.7965 -25.7965 -8.6992 -8.6992 -7.6788 -7.6788 -7.4536 -7.4536 -4.7631 -4.7631 -0.3147 -0.3147 2.7358 2.7358 2.7360 2.7360 3.1722 3.1722 4.0069 4.0069 6.7395 6.7395 6.7664 6.7664 7.1460 7.1460 8.8186 8.8186 8.8944 8.8944 12.4286 12.4286 12.4382 12.4382 13.3592 13.3592 k = 0.0000 0.4868-0.0000 ( 2392 PWs) bands (ev): -25.7965 -25.7965 -8.6997 -8.6997 -7.6795 -7.6795 -7.4534 -7.4534 -4.7600 -4.7600 -0.3228 -0.3228 2.7371 2.7371 2.7372 2.7372 3.1744 3.1744 4.0093 4.0093 6.7329 6.7329 6.7600 6.7600 7.1623 7.1623 8.8098 8.8098 8.8965 8.8965 12.4253 12.4253 12.4349 12.4349 13.3576 13.3576 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7965 -25.7965 -8.6999 -8.6999 -7.6798 -7.6798 -7.4533 -7.4533 -4.7589 -4.7589 -0.3255 -0.3255 2.7376 2.7376 2.7376 2.7376 3.1751 3.1751 4.0101 4.0101 6.7307 6.7307 6.7579 6.7579 7.1677 7.1677 8.8068 8.8068 8.8972 8.8972 12.4242 12.4242 12.4338 12.4338 13.3571 13.3571 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7965 -25.7965 -8.6999 -8.6999 -7.6798 -7.6798 -7.4533 -7.4533 -4.7589 -4.7589 -0.3255 -0.3255 2.7376 2.7376 2.7376 2.7376 3.1751 3.1751 4.0101 4.0101 6.7307 6.7307 6.7579 6.7579 7.1677 7.1677 8.8068 8.8068 8.8972 8.8972 12.4242 12.4242 12.4338 12.4338 13.3571 13.3571 k = 0.0132 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7965 -25.7965 -8.6999 -8.6999 -7.6797 -7.6797 -7.4535 -7.4535 -4.7589 -4.7589 -0.3243 -0.3243 2.7183 2.7183 2.7385 2.7385 3.1878 3.1878 4.0184 4.0184 6.7253 6.7253 6.7534 6.7534 7.1697 7.1697 8.8140 8.8140 8.8898 8.8898 12.4264 12.4264 12.4400 12.4400 13.3614 13.3614 k = 0.0263 0.5000-0.0000 ( 2388 PWs) bands (ev): -25.7964 -25.7964 -8.6999 -8.6999 -7.6796 -7.6796 -7.4540 -7.4540 -4.7589 -4.7589 -0.3207 -0.3207 2.6670 2.6670 2.7413 2.7413 3.2193 3.2193 4.0434 4.0434 6.7047 6.7047 6.7452 6.7452 7.1753 7.1753 8.8351 8.8351 8.8681 8.8681 12.4257 12.4257 12.4655 12.4655 13.3743 13.3743 k = 0.0395 0.5000-0.0000 ( 2384 PWs) bands (ev): -25.7964 -25.7964 -8.6999 -8.6999 -7.6793 -7.6793 -7.4549 -7.4549 -4.7589 -4.7589 -0.3146 -0.3146 2.5956 2.5956 2.7460 2.7460 3.2577 3.2577 4.0849 4.0849 6.6665 6.6665 6.7375 6.7375 7.1835 7.1835 8.8327 8.8327 8.8696 8.8696 12.4226 12.4226 12.5092 12.5092 13.3958 13.3958 k = 0.0526 0.5000-0.0000 ( 2386 PWs) bands (ev): -25.7963 -25.7963 -8.6999 -8.6999 -7.6790 -7.6790 -7.4562 -7.4562 -4.7588 -4.7588 -0.3063 -0.3063 2.5128 2.5128 2.7525 2.7525 3.2949 3.2949 4.1424 4.1424 6.6143 6.6143 6.7293 6.7293 7.1929 7.1929 8.7847 8.7847 8.9162 8.9162 12.4181 12.4181 12.5691 12.5691 13.4255 13.4255 k = 0.0658 0.5000-0.0000 ( 2386 PWs) bands (ev): -25.7962 -25.7962 -8.7000 -8.7000 -7.6786 -7.6786 -7.4577 -7.4577 -4.7588 -4.7588 -0.2956 -0.2956 2.4237 2.4237 2.7608 2.7608 3.3269 3.3269 4.2147 4.2147 6.5511 6.5511 6.7198 6.7198 7.2030 7.2030 8.7252 8.7252 8.9735 8.9735 12.4123 12.4123 12.6438 12.6438 13.4634 13.4634 k = 0.0789 0.5000-0.0000 ( 2382 PWs) bands (ev): -25.7960 -25.7960 -8.7001 -8.7001 -7.6781 -7.6781 -7.4595 -7.4595 -4.7587 -4.7587 -0.2826 -0.2826 2.3313 2.3313 2.7709 2.7709 3.3526 3.3526 4.3000 4.3000 6.4793 6.4793 6.7086 6.7086 7.2131 7.2131 8.6559 8.6559 9.0402 9.0402 12.4055 12.4055 12.7318 12.7318 13.5092 13.5092 k = 0.0921 0.5000-0.0000 ( 2378 PWs) bands (ev): -25.7959 -25.7959 -8.7001 -8.7001 -7.6775 -7.6775 -7.4616 -7.4616 -4.7586 -4.7586 -0.2673 -0.2673 2.2375 2.2375 2.7829 2.7829 3.3722 3.3722 4.3962 4.3962 6.4006 6.4006 6.6959 6.6959 7.2230 7.2230 8.5780 8.5780 9.1149 9.1149 12.3978 12.3978 12.8316 12.8316 13.5626 13.5626 k = 0.1053 0.5000-0.0000 ( 2374 PWs) bands (ev): -25.7957 -25.7957 -8.7002 -8.7002 -7.6769 -7.6769 -7.4639 -7.4639 -4.7585 -4.7585 -0.2499 -0.2499 2.1433 2.1433 2.7966 2.7966 3.3865 3.3865 4.5012 4.5012 6.3164 6.3164 6.6815 6.6815 7.2329 7.2329 8.4931 8.4931 9.1965 9.1965 12.3893 12.3893 12.9416 12.9416 13.6231 13.6231 k = 0.1184 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7955 -25.7955 -8.7004 -8.7004 -7.6762 -7.6762 -7.4664 -7.4664 -4.7585 -4.7585 -0.2304 -0.2304 2.0495 2.0495 2.8120 2.8120 3.3966 3.3966 4.6133 4.6133 6.2280 6.2280 6.6657 6.6657 7.2426 7.2426 8.4023 8.4023 9.2840 9.2840 12.3802 12.3802 13.0605 13.0605 13.6903 13.6903 k = 0.1316 0.5000-0.0000 ( 2378 PWs) bands (ev): -25.7953 -25.7953 -8.7006 -8.7006 -7.6756 -7.6756 -7.4691 -7.4691 -4.7584 -4.7584 -0.2089 -0.2089 1.9569 1.9569 2.8291 2.8291 3.4032 3.4032 4.7308 4.7308 6.1364 6.1364 6.6486 6.6486 7.2523 7.2523 8.3070 8.3070 9.3764 9.3764 12.3706 12.3706 13.1871 13.1871 13.7636 13.7636 k = 0.1447 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7951 -25.7951 -8.7008 -8.7008 -7.6749 -7.6749 -7.4718 -7.4718 -4.7583 -4.7583 -0.1855 -0.1855 1.8657 1.8657 2.8479 2.8479 3.4072 3.4072 4.8526 4.8526 6.0423 6.0423 6.6303 6.6303 7.2619 7.2619 8.2080 8.2080 9.4731 9.4731 12.3608 12.3608 13.3200 13.3200 13.8423 13.8423 k = 0.1579 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7948 -25.7948 -8.7010 -8.7010 -7.6743 -7.6743 -7.4746 -7.4746 -4.7583 -4.7583 -0.1602 -0.1602 1.7763 1.7763 2.8683 2.8683 3.4090 3.4090 4.9777 4.9777 5.9465 5.9465 6.6110 6.6110 7.2716 7.2716 8.1064 8.1064 9.5736 9.5736 12.3507 12.3507 13.4583 13.4583 13.9256 13.9256 k = 0.1711 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7946 -25.7946 -8.7013 -8.7013 -7.6736 -7.6736 -7.4775 -7.4775 -4.7582 -4.7582 -0.1332 -0.1332 1.6891 1.6891 2.8902 2.8902 3.4092 3.4092 5.1053 5.1053 5.8496 5.8496 6.5907 6.5907 7.2813 7.2813 8.0029 8.0029 9.6773 9.6773 12.3406 12.3406 13.6011 13.6011 14.0127 14.0127 k = 0.1842 0.5000-0.0000 ( 2380 PWs) bands (ev): -25.7943 -25.7943 -8.7016 -8.7016 -7.6731 -7.6731 -7.4803 -7.4803 -4.7581 -4.7581 -0.1046 -0.1046 1.6041 1.6041 2.9136 2.9136 3.4079 3.4079 5.2346 5.2346 5.7521 5.7521 6.5698 6.5698 7.2912 7.2912 7.8983 7.8983 9.7840 9.7840 12.3307 12.3307 13.7472 13.7472 14.1022 14.1022 k = 0.1974 0.5000-0.0000 ( 2382 PWs) bands (ev): -25.7940 -25.7940 -8.7020 -8.7020 -7.6726 -7.6726 -7.4831 -7.4831 -4.7581 -4.7581 -0.0746 -0.0746 1.5217 1.5217 2.9384 2.9384 3.4056 3.4056 5.3652 5.3652 5.6546 5.6546 6.5482 6.5482 7.3011 7.3011 7.7932 7.7932 9.8932 9.8932 12.3209 12.3209 13.8960 13.8960 14.1928 14.1928 k = 0.2105 0.5000-0.0000 ( 2374 PWs) bands (ev): -25.7937 -25.7937 -8.7024 -8.7024 -7.6722 -7.6722 -7.4857 -7.4857 -4.7580 -4.7580 -0.0433 -0.0433 1.4419 1.4419 2.9646 2.9646 3.4025 3.4025 5.4963 5.4963 5.5575 5.5575 6.5263 6.5263 7.3111 7.3111 7.6881 7.6881 10.0049 10.0049 12.3114 12.3114 14.0466 14.0466 14.2827 14.2827 k = 0.2237 0.5000-0.0000 ( 2374 PWs) bands (ev): -25.7934 -25.7934 -8.7029 -8.7029 -7.6718 -7.6718 -7.4882 -7.4882 -4.7579 -4.7579 -0.0108 -0.0108 1.3650 1.3650 2.9919 2.9919 3.3987 3.3987 5.4611 5.4611 5.6277 5.6277 6.5041 6.5041 7.3211 7.3211 7.5836 7.5836 10.1186 10.1186 12.3024 12.3024 14.1981 14.1981 14.3696 14.3696 k = 0.2368 0.5000-0.0000 ( 2366 PWs) bands (ev): -25.7931 -25.7931 -8.7034 -8.7034 -7.6717 -7.6717 -7.4906 -7.4906 -4.7579 -4.7579 0.0227 0.0227 1.2909 1.2909 3.0204 3.0204 3.3943 3.3943 5.3659 5.3659 5.7587 5.7587 6.4818 6.4818 7.3312 7.3312 7.4801 7.4801 10.2343 10.2343 12.2938 12.2938 14.3494 14.3494 14.4504 14.4504 k = 0.2500 0.5000-0.0000 ( 2366 PWs) bands (ev): -25.7928 -25.7928 -8.7040 -8.7040 -7.6716 -7.6716 -7.4927 -7.4927 -4.7578 -4.7578 0.0570 0.0570 1.2199 1.2199 3.0499 3.0499 3.3895 3.3895 5.2723 5.2723 5.8889 5.8889 6.4596 6.4596 7.3412 7.3412 7.3780 7.3780 10.3518 10.3518 12.2858 12.2858 14.4963 14.4963 14.5245 14.5245 k = 0.2632 0.5000-0.0000 ( 2366 PWs) bands (ev): -25.7925 -25.7925 -8.7046 -8.7046 -7.6716 -7.6716 -7.4946 -7.4946 -4.7578 -4.7578 0.0919 0.0919 1.1521 1.1521 3.0803 3.0803 3.3845 3.3845 5.1805 5.1805 6.0178 6.0178 6.4376 6.4376 7.2777 7.2777 7.3513 7.3513 10.4709 10.4709 12.2783 12.2783 14.5715 14.5715 14.6535 14.6535 k = 0.2763 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7922 -25.7922 -8.7053 -8.7053 -7.6718 -7.6718 -7.4963 -7.4963 -4.7578 -4.7578 0.1272 0.1272 1.0874 1.0874 3.1113 3.1113 3.3792 3.3792 5.0908 5.0908 6.1449 6.1449 6.4159 6.4159 7.1796 7.1796 7.3612 7.3612 10.5913 10.5913 12.2714 12.2714 14.6068 14.6068 14.8000 14.8000 k = 0.2895 0.5000-0.0000 ( 2368 PWs) bands (ev): -25.7919 -25.7919 -8.7060 -8.7060 -7.6721 -7.6721 -7.4977 -7.4977 -4.7578 -4.7578 0.1626 0.1626 1.0261 1.0261 3.1429 3.1429 3.3739 3.3739 5.0038 5.0038 6.2698 6.2698 6.3948 6.3948 7.0840 7.0840 7.3710 7.3710 10.7128 10.7128 12.2651 12.2651 14.6201 14.6201 14.9431 14.9431 k = 0.3026 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7916 -25.7916 -8.7067 -8.7067 -7.6726 -7.6726 -7.4989 -7.4989 -4.7579 -4.7579 0.1980 0.1980 0.9681 0.9681 3.1749 3.1749 3.3685 3.3685 4.9195 4.9195 6.3742 6.3742 6.3919 6.3919 6.9914 6.9914 7.3805 7.3805 10.8352 10.8352 12.2595 12.2595 14.6151 14.6151 14.9641 14.9641 k = 0.3158 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7913 -25.7913 -8.7074 -8.7074 -7.6731 -7.6731 -7.4999 -7.4999 -4.7579 -4.7579 0.2331 0.2331 0.9136 0.9136 3.2070 3.2070 3.3631 3.3631 4.8385 4.8385 6.3544 6.3544 6.5106 6.5106 6.9020 6.9020 7.3898 7.3898 10.9581 10.9581 12.2545 12.2545 14.5973 14.5973 14.8791 14.8791 k = 0.3289 0.5000-0.0000 ( 2380 PWs) bands (ev): -25.7910 -25.7910 -8.7082 -8.7082 -7.6737 -7.6737 -7.5007 -7.5007 -4.7580 -4.7580 0.2676 0.2676 0.8627 0.8627 3.2390 3.2390 3.3578 3.3578 4.7609 4.7609 6.3355 6.3355 6.6253 6.6253 6.8162 6.8162 7.3988 7.3988 11.0811 11.0811 12.2501 12.2501 14.5715 14.5715 14.7941 14.7941 k = 0.3421 0.5000-0.0000 ( 2380 PWs) bands (ev): -25.7908 -25.7908 -8.7089 -8.7089 -7.6744 -7.6744 -7.5012 -7.5012 -4.7580 -4.7580 0.3012 0.3012 0.8153 0.8153 3.2706 3.2706 3.3527 3.3527 4.6872 4.6872 6.3175 6.3175 6.7342 6.7342 6.7357 6.7357 7.4075 7.4075 11.2039 11.2039 12.2462 12.2462 14.5411 14.5411 14.7116 14.7116 k = 0.3553 0.5000-0.0000 ( 2388 PWs) bands (ev): -25.7905 -25.7905 -8.7097 -8.7097 -7.6751 -7.6751 -7.5016 -7.5016 -4.7581 -4.7581 0.3337 0.3337 0.7716 0.7716 3.3017 3.3017 3.3478 3.3478 4.6176 4.6176 6.3006 6.3006 6.6569 6.6569 6.8405 6.8405 7.4156 7.4156 11.3257 11.3257 12.2429 12.2429 14.5080 14.5080 14.6324 14.6324 k = 0.3684 0.5000-0.0000 ( 2388 PWs) bands (ev): -25.7903 -25.7903 -8.7104 -8.7104 -7.6759 -7.6759 -7.5019 -7.5019 -4.7581 -4.7581 0.3647 0.3647 0.7316 0.7316 3.3317 3.3317 3.3432 3.3432 4.5526 4.5526 6.2849 6.2849 6.5842 6.5842 6.9396 6.9396 7.4233 7.4233 11.4458 11.4458 12.2402 12.2402 14.4734 14.4734 14.5573 14.5573 k = 0.3816 0.5000-0.0000 ( 2388 PWs) bands (ev): -25.7901 -25.7901 -8.7111 -8.7111 -7.6767 -7.6767 -7.5020 -7.5020 -4.7582 -4.7582 0.3938 0.3938 0.6955 0.6955 3.3389 3.3389 3.3605 3.3605 4.4924 4.4924 6.2704 6.2704 6.5167 6.5167 7.0322 7.0322 7.4305 7.4305 11.5635 11.5635 12.2379 12.2379 14.4380 14.4380 14.4868 14.4868 k = 0.3947 0.5000-0.0000 ( 2384 PWs) bands (ev): -25.7899 -25.7899 -8.7117 -8.7117 -7.6774 -7.6774 -7.5020 -7.5020 -4.7582 -4.7582 0.4208 0.4208 0.6632 0.6632 3.3349 3.3349 3.3877 3.3877 4.4375 4.4375 6.2572 6.2572 6.4547 6.4547 7.1175 7.1175 7.4370 7.4370 11.6775 11.6775 12.2360 12.2360 14.4017 14.4017 14.4219 14.4219 k = 0.4079 0.5000-0.0000 ( 2388 PWs) bands (ev): -25.7897 -25.7897 -8.7123 -8.7123 -7.6781 -7.6781 -7.5019 -7.5019 -4.7583 -4.7583 0.4452 0.4452 0.6349 0.6349 3.3313 3.3313 3.4129 3.4129 4.3880 4.3880 6.2454 6.2454 6.3987 6.3987 7.1949 7.1949 7.4429 7.4429 11.7864 11.7864 12.2346 12.2346 14.3587 14.3587 14.3689 14.3689 k = 0.4211 0.5000-0.0000 ( 2388 PWs) bands (ev): -25.7895 -25.7895 -8.7129 -8.7129 -7.6788 -7.6788 -7.5018 -7.5018 -4.7584 -4.7584 0.4666 0.4666 0.6109 0.6109 3.3281 3.3281 3.4357 3.4357 4.3444 4.3444 6.2351 6.2351 6.3491 6.3491 7.2637 7.2637 7.4481 7.4481 11.8886 11.8886 12.2337 12.2337 14.3070 14.3070 14.3309 14.3309 k = 0.4342 0.5000-0.0000 ( 2388 PWs) bands (ev): -25.7894 -25.7894 -8.7134 -8.7134 -7.6794 -7.6794 -7.5017 -7.5017 -4.7584 -4.7584 0.4844 0.4844 0.5913 0.5913 3.3254 3.3254 3.4557 3.4557 4.3069 4.3069 6.2262 6.2262 6.3062 6.3062 7.3232 7.3232 7.4526 7.4526 11.9818 11.9818 12.2332 12.2332 14.2609 14.2609 14.2943 14.2943 k = 0.4474 0.5000-0.0000 ( 2384 PWs) bands (ev): -25.7893 -25.7893 -8.7137 -8.7137 -7.6799 -7.6799 -7.5015 -7.5015 -4.7585 -4.7585 0.4979 0.4979 0.5766 0.5766 3.3231 3.3231 3.4727 3.4727 4.2759 4.2759 6.2189 6.2189 6.2706 6.2706 7.3727 7.3727 7.4563 7.4563 12.0634 12.0634 12.2335 12.2335 14.2222 14.2222 14.2593 14.2593 k = 0.4605 0.5000-0.0000 ( 2384 PWs) bands (ev): -25.7892 -25.7892 -8.7141 -8.7141 -7.6803 -7.6803 -7.5014 -7.5014 -4.7585 -4.7585 0.5066 0.5066 0.5674 0.5674 3.3213 3.3213 3.4863 3.4863 4.2514 4.2514 6.2132 6.2132 6.2425 6.2425 7.4119 7.4119 7.4593 7.4593 12.1300 12.1300 12.2349 12.2349 14.1915 14.1915 14.2276 14.2276 k = 0.4737 0.5000-0.0000 ( 2384 PWs) bands (ev): -25.7891 -25.7891 -8.7143 -8.7143 -7.6806 -7.6806 -7.5013 -7.5013 -4.7585 -4.7585 0.5105 0.5105 0.5632 0.5632 3.3200 3.3200 3.4962 3.4962 4.2338 4.2338 6.2091 6.2091 6.2222 6.2222 7.4402 7.4402 7.4614 7.4614 12.1772 12.1772 12.2391 12.2391 14.1692 14.1692 14.2019 14.2019 k = 0.4868 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7891 -25.7891 -8.7144 -8.7144 -7.6807 -7.6807 -7.5012 -7.5012 -4.7586 -4.7586 0.5114 0.5114 0.5621 0.5621 3.3192 3.3192 3.5022 3.5022 4.2232 4.2232 6.2066 6.2066 6.2100 6.2100 7.4572 7.4572 7.4627 7.4627 12.2013 12.2013 12.2472 12.2472 14.1557 14.1557 14.1851 14.1851 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -25.7891 -25.7891 -8.7145 -8.7145 -7.6808 -7.6808 -7.5012 -7.5012 -4.7586 -4.7586 0.5113 0.5113 0.5621 0.5621 3.3190 3.3190 3.5042 3.5042 4.2197 4.2197 6.2054 6.2054 6.2063 6.2063 7.4624 7.4624 7.4636 7.4636 12.2073 12.2073 12.2522 12.2522 14.1512 14.1512 14.1792 14.1792 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -25.7891 -25.7891 -8.7145 -8.7145 -7.6808 -7.6808 -7.5012 -7.5012 -4.7586 -4.7586 0.5113 0.5113 0.5621 0.5621 3.3190 3.3190 3.5042 3.5042 4.2197 4.2197 6.2054 6.2054 6.2063 6.2063 7.4624 7.4624 7.4636 7.4636 12.2073 12.2073 12.2522 12.2522 14.1512 14.1512 14.1792 14.1792 k = 0.4906 0.4906-0.0000 ( 2390 PWs) bands (ev): -25.7891 -25.7891 -8.7144 -8.7144 -7.6807 -7.6807 -7.5012 -7.5012 -4.7586 -4.7586 0.5114 0.5114 0.5621 0.5621 3.3192 3.3192 3.5021 3.5021 4.2233 4.2233 6.2070 6.2070 6.2098 6.2098 7.4589 7.4589 7.4608 7.4608 12.2018 12.2018 12.2464 12.2464 14.1555 14.1555 14.1856 14.1856 k = 0.4811 0.4811-0.0000 ( 2390 PWs) bands (ev): -25.7891 -25.7891 -8.7143 -8.7143 -7.6805 -7.6805 -7.5013 -7.5013 -4.7585 -4.7585 0.5114 0.5114 0.5622 0.5622 3.3200 3.3200 3.4960 3.4960 4.2342 4.2342 6.2107 6.2107 6.2212 6.2212 7.4474 7.4474 7.4535 7.4535 12.1851 12.1851 12.2299 12.2299 14.1655 14.1655 14.2073 14.2073 k = 0.4717 0.4717-0.0000 ( 2386 PWs) bands (ev): -25.7892 -25.7892 -8.7140 -8.7140 -7.6802 -7.6802 -7.5014 -7.5014 -4.7585 -4.7585 0.5110 0.5110 0.5629 0.5629 3.3213 3.3213 3.4858 3.4858 4.2523 4.2523 6.2169 6.2169 6.2401 6.2401 7.4280 7.4280 7.4414 7.4414 12.1573 12.1573 12.2043 12.2043 14.1780 14.1780 14.2457 14.2457 k = 0.4623 0.4623-0.0000 ( 2386 PWs) bands (ev): -25.7893 -25.7893 -8.7137 -8.7137 -7.6798 -7.6798 -7.5016 -7.5016 -4.7586 -4.7586 0.5096 0.5096 0.5650 0.5650 3.3231 3.3231 3.4718 3.4718 4.2775 4.2775 6.2254 6.2254 6.2663 6.2663 7.4011 7.4011 7.4245 7.4245 12.1190 12.1190 12.1716 12.1716 14.1928 14.1928 14.2986 14.2986 k = 0.4528 0.4528-0.0000 ( 2392 PWs) bands (ev): -25.7894 -25.7894 -8.7133 -8.7133 -7.6792 -7.6792 -7.5017 -7.5017 -4.7587 -4.7587 0.5068 0.5068 0.5690 0.5690 3.3254 3.3254 3.4543 3.4543 4.3096 4.3096 6.2364 6.2364 6.2994 6.2994 7.3670 7.3670 7.4029 7.4029 12.0716 12.0716 12.1331 12.1331 14.2099 14.2099 14.3631 14.3631 k = 0.4434 0.4434-0.0000 ( 2392 PWs) bands (ev): -25.7895 -25.7895 -8.7127 -8.7127 -7.6785 -7.6785 -7.5020 -7.5020 -4.7590 -4.7590 0.5024 0.5024 0.5753 0.5753 3.3280 3.3280 3.4337 3.4337 4.3483 4.3483 6.2499 6.2499 6.3391 6.3391 7.3259 7.3259 7.3765 7.3765 12.0172 12.0172 12.0899 12.0899 14.2287 14.2287 14.4365 14.4365 k = 0.4340 0.4340-0.0000 ( 2388 PWs) bands (ev): -25.7897 -25.7897 -8.7121 -8.7121 -7.6777 -7.6777 -7.5022 -7.5022 -4.7594 -4.7594 0.4967 0.4967 0.5839 0.5839 3.3309 3.3309 3.4102 3.4102 4.3935 4.3935 6.2657 6.2657 6.3849 6.3849 7.2782 7.2782 7.3453 7.3453 11.9579 11.9579 12.0427 12.0427 14.2485 14.2485 14.5165 14.5165 k = 0.4245 0.4245-0.0000 ( 2384 PWs) bands (ev): -25.7899 -25.7899 -8.7113 -8.7113 -7.6766 -7.6766 -7.5025 -7.5025 -4.7601 -4.7601 0.4901 0.4901 0.5948 0.5948 3.3342 3.3342 3.3842 3.3842 4.4448 4.4448 6.2840 6.2840 6.4363 6.4363 7.2242 7.2242 7.3095 7.3095 11.8955 11.8955 11.9925 11.9925 14.2681 14.2681 14.6010 14.6010 k = 0.4151 0.4151-0.0000 ( 2384 PWs) bands (ev): -25.7901 -25.7901 -8.7105 -8.7105 -7.6755 -7.6755 -7.5028 -7.5028 -4.7611 -4.7611 0.4831 0.4831 0.6077 0.6077 3.3376 3.3376 3.3562 3.3562 4.5019 4.5019 6.3047 6.3047 6.4929 6.4929 7.1645 7.1645 7.2690 7.2690 11.8316 11.8316 11.9399 11.9399 14.2863 14.2863 14.6882 14.6882 k = 0.4057 0.4057-0.0000 ( 2368 PWs) bands (ev): -25.7903 -25.7903 -8.7095 -8.7095 -7.6741 -7.6741 -7.5031 -7.5031 -4.7625 -4.7625 0.4760 0.4760 0.6227 0.6227 3.3264 3.3264 3.3413 3.3413 4.5646 4.5646 6.3278 6.3278 6.5541 6.5541 7.0995 7.0995 7.2240 7.2240 11.7674 11.7674 11.8859 11.8859 14.3019 14.3019 14.7764 14.7764 k = 0.3962 0.3962-0.0000 ( 2372 PWs) bands (ev): -25.7906 -25.7906 -8.7084 -8.7084 -7.6726 -7.6726 -7.5033 -7.5033 -4.7644 -4.7644 0.4693 0.4693 0.6395 0.6395 3.2953 3.2953 3.3449 3.3449 4.6325 4.6325 6.3533 6.3533 6.6196 6.6196 7.0295 7.0295 7.1744 7.1744 11.7038 11.7038 11.8311 11.8311 14.3138 14.3138 14.8643 14.8643 k = 0.3868 0.3868-0.0000 ( 2372 PWs) bands (ev): -25.7909 -25.7909 -8.7073 -8.7073 -7.6709 -7.6709 -7.5036 -7.5036 -4.7669 -4.7669 0.4634 0.4634 0.6581 0.6581 3.2631 3.2631 3.3484 3.3484 4.7053 4.7053 6.3811 6.3811 6.6887 6.6887 6.9550 6.9550 7.1204 7.1204 11.6417 11.6417 11.7764 11.7764 14.3209 14.3209 14.9506 14.9506 k = 0.3774 0.3774-0.0000 ( 2380 PWs) bands (ev): -25.7912 -25.7912 -8.7060 -8.7060 -7.6690 -7.6690 -7.5039 -7.5039 -4.7700 -4.7700 0.4586 0.4586 0.6785 0.6785 3.2302 3.2302 3.3519 3.3519 4.7826 4.7826 6.4113 6.4113 6.7611 6.7611 6.8766 6.8766 7.0621 7.0621 11.5818 11.5818 11.7222 11.7222 14.3222 14.3222 15.0342 15.0342 k = 0.3679 0.3679-0.0000 ( 2380 PWs) bands (ev): -25.7915 -25.7915 -8.7046 -8.7046 -7.6669 -7.6669 -7.5041 -7.5041 -4.7739 -4.7739 0.4552 0.4552 0.7006 0.7006 3.1968 3.1968 3.3552 3.3552 4.8641 4.8641 6.4439 6.4439 6.7946 6.7946 6.8362 6.8362 6.9996 6.9996 11.5245 11.5245 11.6692 11.6692 14.3172 14.3172 15.0953 15.0953 k = 0.3585 0.3585-0.0000 ( 2384 PWs) bands (ev): -25.7918 -25.7918 -8.7030 -8.7030 -7.6646 -7.6646 -7.5043 -7.5043 -4.7785 -4.7785 0.4535 0.4535 0.7246 0.7246 3.1632 3.1632 3.3581 3.3581 4.9494 4.9494 6.4787 6.4787 6.7094 6.7094 6.9136 6.9136 6.9330 6.9330 11.4703 11.4703 11.6179 11.6179 14.3056 14.3056 14.9982 14.9982 k = 0.3491 0.3491-0.0000 ( 2388 PWs) bands (ev): -25.7922 -25.7922 -8.7014 -8.7014 -7.6620 -7.6620 -7.5045 -7.5045 -4.7841 -4.7841 0.4539 0.4539 0.7502 0.7502 3.1297 3.1297 3.3607 3.3607 5.0382 5.0382 6.5159 6.5159 6.6217 6.6217 6.8624 6.8624 6.9929 6.9929 11.4196 11.4196 11.5686 11.5686 14.2874 14.2874 14.8988 14.8988 k = 0.3396 0.3396-0.0000 ( 2388 PWs) bands (ev): -25.7926 -25.7926 -8.6996 -8.6996 -7.6592 -7.6592 -7.5046 -7.5046 -4.7906 -4.7906 0.4565 0.4565 0.7776 0.7776 3.0963 3.0963 3.3627 3.3627 5.1299 5.1299 6.5318 6.5318 6.5553 6.5553 6.7881 6.7881 7.0736 7.0736 11.3726 11.3726 11.5216 11.5216 14.2631 14.2631 14.8025 14.8025 k = 0.3302 0.3302-0.0000 ( 2380 PWs) bands (ev): -25.7929 -25.7929 -8.6977 -8.6977 -7.6562 -7.6562 -7.5047 -7.5047 -4.7980 -4.7980 0.4617 0.4617 0.8067 0.8067 3.0634 3.0634 3.3642 3.3642 5.2242 5.2242 6.4403 6.4403 6.5970 6.5970 6.7102 6.7102 7.1552 7.1552 11.3295 11.3295 11.4774 11.4774 14.2333 14.2333 14.7099 14.7099 k = 0.3208 0.3208-0.0000 ( 2380 PWs) bands (ev): -25.7933 -25.7933 -8.6957 -8.6957 -7.6529 -7.6529 -7.5047 -7.5047 -4.8065 -4.8065 0.4695 0.4695 0.8375 0.8375 3.0310 3.0310 3.3650 3.3650 5.3204 5.3204 6.3481 6.3481 6.6288 6.6288 6.6408 6.6408 7.2374 7.2374 11.2904 11.2904 11.4360 11.4360 14.1989 14.1989 14.6216 14.6216 k = 0.3113 0.3113-0.0000 ( 2378 PWs) bands (ev): -25.7937 -25.7937 -8.6936 -8.6936 -7.6494 -7.6494 -7.5047 -7.5047 -4.8161 -4.8161 0.4802 0.4802 0.8701 0.8701 2.9992 2.9992 3.3651 3.3651 5.4173 5.4173 6.2561 6.2561 6.5443 6.5443 6.6869 6.6869 7.3197 7.3197 11.2555 11.2555 11.3977 11.3977 14.1609 14.1609 14.5381 14.5381 k = 0.3019 0.3019-0.0000 ( 2370 PWs) bands (ev): -25.7941 -25.7941 -8.6914 -8.6914 -7.6456 -7.6456 -7.5046 -7.5046 -4.8268 -4.8268 0.4939 0.4939 0.9044 0.9044 2.9683 2.9683 3.3644 3.3644 5.5128 5.5128 6.1666 6.1666 6.4567 6.4567 6.7351 6.7351 7.4016 7.4016 11.2248 11.2248 11.3627 11.3627 14.1205 14.1205 14.4599 14.4599 k = 0.2925 0.2925-0.0000 ( 2370 PWs) bands (ev): -25.7946 -25.7946 -8.6891 -8.6891 -7.6416 -7.6416 -7.5045 -7.5045 -4.8387 -4.8387 0.5107 0.5107 0.9404 0.9404 2.9382 2.9382 3.3628 3.3628 5.6020 5.6020 6.0844 6.0844 6.3664 6.3664 6.7854 6.7854 7.4828 7.4828 11.1981 11.1981 11.3310 11.3310 14.0787 14.0787 14.3876 14.3876 k = 0.2830 0.2830-0.0000 ( 2370 PWs) bands (ev): -25.7950 -25.7950 -8.6866 -8.6866 -7.6373 -7.6373 -7.5043 -7.5043 -4.8516 -4.8516 0.5308 0.5308 0.9781 0.9781 2.9091 2.9091 3.3602 3.3602 5.6713 5.6713 6.0233 6.0233 6.2734 6.2734 6.8377 6.8377 7.5628 7.5628 11.1756 11.1756 11.3028 11.3028 14.0367 14.0367 14.3214 14.3214 k = 0.2736 0.2736-0.0000 ( 2364 PWs) bands (ev): -25.7954 -25.7954 -8.6841 -8.6841 -7.6327 -7.6327 -7.5040 -7.5040 -4.8656 -4.8656 0.5541 0.5541 1.0176 1.0176 2.8810 2.8810 3.3566 3.3566 5.6898 5.6898 6.0141 6.0141 6.1781 6.1781 6.8921 6.8921 7.6412 7.6412 11.1571 11.1571 11.2780 11.2780 13.9956 13.9956 14.2619 14.2619 k = 0.2642 0.2642-0.0000 ( 2360 PWs) bands (ev): -25.7959 -25.7959 -8.6815 -8.6815 -7.6279 -7.6279 -7.5037 -7.5037 -4.8807 -4.8807 0.5808 0.5808 1.0587 1.0587 2.8540 2.8540 3.3520 3.3520 5.6453 5.6453 6.0689 6.0689 6.0808 6.0808 6.9484 6.9484 7.7177 7.7177 11.1424 11.1424 11.2568 11.2568 13.9563 13.9563 14.2095 14.2095 k = 0.2547 0.2547-0.0000 ( 2360 PWs) bands (ev): -25.7963 -25.7963 -8.6788 -8.6788 -7.6229 -7.6229 -7.5033 -7.5033 -4.8968 -4.8968 0.6109 0.6109 1.1016 1.1016 2.8281 2.8281 3.3463 3.3463 5.5672 5.5672 5.9814 5.9814 6.1585 6.1585 7.0065 7.0065 7.7918 7.7918 11.1313 11.1313 11.2391 11.2391 13.9198 13.9198 14.1645 14.1645 k = 0.2453 0.2453-0.0000 ( 2352 PWs) bands (ev): -25.7968 -25.7968 -8.6760 -8.6760 -7.6176 -7.6176 -7.5028 -7.5028 -4.9138 -4.9138 0.6443 0.6443 1.1462 1.1462 2.8034 2.8034 3.3395 3.3395 5.4762 5.4762 5.8805 5.8805 6.2619 6.2619 7.0665 7.0665 7.8632 7.8632 11.1236 11.1236 11.2249 11.2249 13.8871 13.8871 14.1272 14.1272 k = 0.2358 0.2358-0.0000 ( 2366 PWs) bands (ev): -25.7972 -25.7972 -8.6731 -8.6731 -7.6120 -7.6120 -7.5023 -7.5023 -4.9318 -4.9318 0.6811 0.6811 1.1924 1.1924 2.7798 2.7798 3.3315 3.3315 5.3798 5.3798 5.7781 5.7781 6.3718 6.3718 7.1282 7.1282 7.9314 7.9314 11.1190 11.1190 11.2142 11.2142 13.8590 13.8590 14.0838 14.0838 k = 0.2264 0.2264-0.0000 ( 2364 PWs) bands (ev): -25.7977 -25.7977 -8.6702 -8.6702 -7.6063 -7.6063 -7.5017 -7.5017 -4.9505 -4.9505 0.7213 0.7213 1.2403 1.2403 2.7574 2.7574 3.3224 3.3224 5.2808 5.2808 5.6746 5.6746 6.4851 6.4851 7.1916 7.1916 7.9964 7.9964 11.1174 11.1174 11.2070 11.2070 13.8361 13.8361 13.9500 13.9500 k = 0.2170 0.2170-0.0000 ( 2364 PWs) bands (ev): -25.7981 -25.7981 -8.6673 -8.6673 -7.6003 -7.6003 -7.5011 -7.5011 -4.9699 -4.9699 0.7647 0.7647 1.2898 1.2898 2.7362 2.7362 3.3121 3.3121 5.1805 5.1805 5.5700 5.5700 6.6006 6.6006 7.2565 7.2565 8.0577 8.0577 11.1183 11.1183 11.2031 11.2031 13.8127 13.8127 13.8215 13.8215 k = 0.2075 0.2075-0.0000 ( 2372 PWs) bands (ev): -25.7985 -25.7985 -8.6643 -8.6643 -7.5942 -7.5942 -7.5004 -7.5004 -4.9900 -4.9900 0.8113 0.8113 1.3410 1.3410 2.7161 2.7161 3.3006 3.3006 5.0797 5.0797 5.4647 5.4647 6.7173 6.7173 7.3228 7.3228 8.1151 8.1151 11.1216 11.1216 11.2026 11.2026 13.6796 13.6796 13.8089 13.8089 k = 0.1981 0.1981-0.0000 ( 2374 PWs) bands (ev): -25.7990 -25.7990 -8.6613 -8.6613 -7.5879 -7.5879 -7.4997 -7.4997 -5.0105 -5.0105 0.8611 0.8611 1.3938 1.3938 2.6972 2.6972 3.2880 3.2880 4.9789 4.9789 5.3589 5.3589 6.8347 6.8347 7.3903 7.3903 8.1685 8.1685 11.1270 11.1270 11.2054 11.2054 13.5447 13.5447 13.8053 13.8053 k = 0.1887 0.1887-0.0000 ( 2376 PWs) bands (ev): -25.7994 -25.7994 -8.6583 -8.6583 -7.5815 -7.5815 -7.4990 -7.4990 -5.0313 -5.0313 0.9140 0.9140 1.4482 1.4482 2.6795 2.6795 3.2740 3.2740 4.8785 4.8785 5.2528 5.2528 6.9524 6.9524 7.4591 7.4591 8.2177 8.2177 11.1343 11.1343 11.2114 11.2114 13.4104 13.4104 13.8087 13.8087 k = 0.1792 0.1792-0.0000 ( 2378 PWs) bands (ev): -25.7998 -25.7998 -8.6553 -8.6553 -7.5750 -7.5750 -7.4982 -7.4982 -5.0525 -5.0525 0.9698 0.9698 1.5041 1.5041 2.6629 2.6629 3.2589 3.2589 4.7787 4.7787 5.1465 5.1465 7.0699 7.0699 7.5288 7.5288 8.2627 8.2627 11.1433 11.1433 11.2204 11.2204 13.2772 13.2772 13.8193 13.8193 k = 0.1698 0.1698-0.0000 ( 2378 PWs) bands (ev): -25.8002 -25.8002 -8.6524 -8.6524 -7.5684 -7.5684 -7.4975 -7.4975 -5.0736 -5.0736 1.0285 1.0285 1.5614 1.5614 2.6475 2.6475 3.2423 3.2423 4.6798 4.6798 5.0405 5.0405 7.1869 7.1869 7.5993 7.5993 8.3035 8.3035 11.1539 11.1539 11.2324 11.2324 13.1455 13.1455 13.8365 13.8365 k = 0.1604 0.1604-0.0000 ( 2378 PWs) bands (ev): -25.8006 -25.8006 -8.6495 -8.6495 -7.5618 -7.5618 -7.4967 -7.4967 -5.0948 -5.0948 1.0899 1.0899 1.6202 1.6202 2.6331 2.6331 3.2243 3.2243 4.5823 4.5823 4.9347 4.9347 7.3028 7.3028 7.6704 7.6704 8.3402 8.3402 11.1662 11.1662 11.2473 11.2473 13.0156 13.0156 13.8596 13.8596 k = 0.1509 0.1509-0.0000 ( 2388 PWs) bands (ev): -25.8010 -25.8010 -8.6466 -8.6466 -7.5551 -7.5551 -7.4959 -7.4959 -5.1158 -5.1158 1.1538 1.1538 1.6803 1.6803 2.6198 2.6198 3.2048 3.2048 4.4864 4.4864 4.8295 4.8295 7.4172 7.4172 7.7418 7.7418 8.3729 8.3729 11.1801 11.1801 11.2648 11.2648 12.8880 12.8880 13.8869 13.8869 k = 0.1415 0.1415-0.0000 ( 2387 PWs) bands (ev): -25.8013 -25.8013 -8.6438 -8.6438 -7.5486 -7.5486 -7.4951 -7.4951 -5.1364 -5.1364 1.2203 1.2203 1.7417 1.7417 2.6075 2.6075 3.1835 3.1835 4.3926 4.3926 4.7252 4.7252 7.5297 7.5297 7.8132 7.8132 8.4016 8.4016 11.1959 11.1959 11.2848 11.2848 12.7631 12.7631 13.9097 13.9097 k = 0.1321 0.1321-0.0000 ( 2395 PWs) bands (ev): -25.8017 -25.8017 -8.6412 -8.6412 -7.5421 -7.5421 -7.4943 -7.4943 -5.1566 -5.1566 1.2891 1.2891 1.8042 1.8042 2.5963 2.5963 3.1602 3.1602 4.3012 4.3012 4.6219 4.6219 7.6397 7.6397 7.8844 7.8844 8.4267 8.4267 11.2137 11.2137 11.3072 11.3072 12.6413 12.6413 13.8206 13.8206 k = 0.1226 0.1226-0.0000 ( 2407 PWs) bands (ev): -25.8020 -25.8020 -8.6386 -8.6386 -7.5357 -7.5357 -7.4935 -7.4935 -5.1762 -5.1762 1.3600 1.3600 1.8676 1.8676 2.5859 2.5859 3.1345 3.1345 4.2129 4.2129 4.5200 4.5200 7.7466 7.7466 7.9549 7.9549 8.4484 8.4484 11.2338 11.2338 11.3317 11.3317 12.5232 12.5232 13.7215 13.7215 k = 0.1132 0.1132-0.0000 ( 2407 PWs) bands (ev): -25.8023 -25.8023 -8.6361 -8.6361 -7.5295 -7.5295 -7.4927 -7.4927 -5.1950 -5.1950 1.4330 1.4330 1.9318 1.9318 2.5766 2.5766 3.1061 3.1061 4.1283 4.1283 4.4197 4.4197 7.8498 7.8498 8.0244 8.0244 8.4669 8.4669 11.2564 11.2564 11.3581 11.3581 12.4094 12.4094 13.6257 13.6257 k = 0.1038 0.1038-0.0000 ( 2407 PWs) bands (ev): -25.8026 -25.8026 -8.6338 -8.6338 -7.5236 -7.5236 -7.4920 -7.4920 -5.2129 -5.2129 1.5078 1.5078 1.9965 1.9965 2.5681 2.5681 3.0746 3.0746 4.0480 4.0480 4.3214 4.3214 7.9486 7.9486 8.0923 8.0923 8.4826 8.4826 11.2819 11.2819 11.3859 11.3859 12.3003 12.3003 13.5337 13.5337 k = 0.0943 0.0943-0.0000 ( 2407 PWs) bands (ev): -25.8028 -25.8028 -8.6316 -8.6316 -7.5180 -7.5180 -7.4913 -7.4913 -5.2298 -5.2298 1.5842 1.5842 2.0614 2.0614 2.5605 2.5605 3.0394 3.0394 3.9728 3.9728 4.2255 4.2255 8.0422 8.0422 8.1580 8.1580 8.4957 8.4957 11.3105 11.3105 11.4150 11.4150 12.1966 12.1966 13.4459 13.4459 k = 0.0849 0.0849-0.0000 ( 2403 PWs) bands (ev): -25.8031 -25.8031 -8.6296 -8.6296 -7.5127 -7.5127 -7.4907 -7.4907 -5.2455 -5.2455 1.6620 1.6620 2.1261 2.1261 2.5538 2.5538 2.9999 2.9999 3.9036 3.9036 4.1326 4.1326 8.1300 8.1300 8.2211 8.2211 8.5065 8.5065 11.3424 11.3424 11.4448 11.4448 12.0991 12.0991 13.3630 13.3630 k = 0.0755 0.0755-0.0000 ( 2395 PWs) bands (ev): -25.8033 -25.8033 -8.6278 -8.6278 -7.5077 -7.5077 -7.4901 -7.4901 -5.2599 -5.2599 1.7410 1.7410 2.1900 2.1900 2.5479 2.5479 2.9559 2.9559 3.8409 3.8409 4.0432 4.0432 8.2111 8.2111 8.2807 8.2807 8.5153 8.5153 11.3774 11.3774 11.4748 11.4748 12.0084 12.0084 13.2853 13.2853 k = 0.0660 0.0660-0.0000 ( 2391 PWs) bands (ev): -25.8035 -25.8035 -8.6262 -8.6262 -7.5033 -7.5033 -7.4895 -7.4895 -5.2729 -5.2729 1.8208 1.8208 2.2523 2.2523 2.5427 2.5427 2.9069 2.9069 3.7855 3.7855 3.9581 3.9581 8.2849 8.2849 8.3362 8.3362 8.5224 8.5224 11.4153 11.4153 11.5043 11.5043 11.9254 11.9254 13.2136 13.2136 k = 0.0566 0.0566-0.0000 ( 2391 PWs) bands (ev): -25.8037 -25.8037 -8.6247 -8.6247 -7.4993 -7.4993 -7.4891 -7.4891 -5.2844 -5.2844 1.9011 1.9011 2.3122 2.3122 2.5384 2.5384 2.8531 2.8531 3.7377 3.7377 3.8783 3.8783 8.3504 8.3504 8.3867 8.3867 8.5280 8.5280 11.4553 11.4553 11.5328 11.5328 11.8509 11.8509 13.1486 13.1486 k = 0.0472 0.0472-0.0000 ( 2391 PWs) bands (ev): -25.8038 -25.8038 -8.6235 -8.6235 -7.4958 -7.4958 -7.4887 -7.4887 -5.2943 -5.2943 1.9814 1.9814 2.3682 2.3682 2.5348 2.5348 2.7947 2.7947 3.6978 3.6978 3.8053 3.8053 8.4072 8.4072 8.4314 8.4314 8.5323 8.5323 11.4964 11.4964 11.5593 11.5593 11.7859 11.7859 13.0912 13.0912 k = 0.0377 0.0377-0.0000 ( 2389 PWs) bands (ev): -25.8039 -25.8039 -8.6225 -8.6225 -7.4929 -7.4929 -7.4883 -7.4883 -5.3025 -5.3025 2.0608 2.0608 2.4186 2.4186 2.5322 2.5322 2.7328 2.7328 3.6656 3.6656 3.7406 3.7406 8.4544 8.4544 8.4695 8.4695 8.5356 8.5356 11.5365 11.5365 11.5829 11.5829 11.7311 11.7311 13.0422 13.0422 k = 0.0283 0.0283-0.0000 ( 2383 PWs) bands (ev): -25.8040 -25.8040 -8.6217 -8.6217 -7.4907 -7.4907 -7.4880 -7.4880 -5.3090 -5.3090 2.1381 2.1381 2.4610 2.4610 2.5305 2.5305 2.6689 2.6689 3.6409 3.6409 3.6863 3.6863 8.4917 8.4917 8.5002 8.5002 8.5380 8.5380 11.5732 11.5732 11.6026 11.6026 11.6875 11.6875 13.0028 13.0028 k = 0.0189 0.0189-0.0000 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6211 -8.6211 -7.4890 -7.4890 -7.4878 -7.4878 -5.3136 -5.3136 2.2104 2.2104 2.4917 2.4917 2.5308 2.5308 2.6067 2.6067 3.6236 3.6236 3.6449 3.6449 8.5184 8.5184 8.5227 8.5227 8.5397 8.5397 11.6032 11.6032 11.6175 11.6175 11.6558 11.6558 12.9738 12.9738 k = 0.0094 0.0094-0.0000 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6207 -8.6207 -7.4880 -7.4880 -7.4877 -7.4877 -5.3164 -5.3164 2.2698 2.2698 2.5047 2.5047 2.5346 2.5346 2.5561 2.5561 3.6133 3.6133 3.6189 3.6189 8.5342 8.5342 8.5362 8.5362 8.5413 8.5413 11.6230 11.6230 11.6269 11.6269 11.6366 11.6366 12.9560 12.9560 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6206 -8.6206 -7.4877 -7.4877 -7.4877 -7.4877 -5.3174 -5.3174 2.2960 2.2960 2.5025 2.5025 2.5378 2.5378 2.5378 2.5378 3.6099 3.6099 3.6099 3.6099 8.5394 8.5394 8.5394 8.5394 8.5435 8.5435 11.6295 11.6295 11.6295 11.6295 11.6312 11.6312 12.9500 12.9500 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6206 -8.6206 -7.4877 -7.4877 -7.4877 -7.4877 -5.3174 -5.3174 2.2960 2.2960 2.5025 2.5025 2.5378 2.5378 2.5378 2.5378 3.6099 3.6099 3.6099 3.6099 8.5394 8.5394 8.5394 8.5394 8.5435 8.5435 11.6295 11.6295 11.6295 11.6295 11.6312 11.6312 12.9500 12.9500 k = 0.0077 0.0077 0.0077 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6207 -8.6207 -7.4880 -7.4880 -7.4878 -7.4878 -5.3164 -5.3164 2.2701 2.2701 2.5043 2.5043 2.5330 2.5330 2.5580 2.5580 3.6161 3.6161 3.6161 3.6161 8.5345 8.5345 8.5362 8.5362 8.5411 8.5411 11.6269 11.6269 11.6279 11.6279 11.6315 11.6315 12.9600 12.9601 k = 0.0154 0.0154 0.0154 ( 2373 PWs) bands (ev): -25.8041 -25.8041 -8.6211 -8.6211 -7.4888 -7.4888 -7.4881 -7.4881 -5.3136 -5.3136 2.2123 2.2123 2.4936 2.4936 2.5188 2.5188 2.6149 2.6149 3.6341 3.6341 3.6343 3.6343 8.5200 8.5200 8.5223 8.5223 8.5386 8.5386 11.6198 11.6198 11.6209 11.6209 11.6354 11.6354 12.9897 12.9897 k = 0.0231 0.0231 0.0231 ( 2382 PWs) bands (ev): -25.8040 -25.8040 -8.6217 -8.6217 -7.4902 -7.4902 -7.4885 -7.4885 -5.3090 -5.3090 2.1435 2.1435 2.4721 2.4721 2.4962 2.4962 2.6871 2.6871 3.6632 3.6632 3.6636 3.6636 8.4960 8.4960 8.4984 8.4984 8.5353 8.5353 11.6091 11.6091 11.6103 11.6103 11.6419 11.6419 13.0376 13.0376 k = 0.0308 0.0308 0.0308 ( 2388 PWs) bands (ev): -25.8039 -25.8039 -8.6225 -8.6225 -7.4921 -7.4921 -7.4892 -7.4892 -5.3026 -5.3026 2.0712 2.0712 2.4427 2.4427 2.4663 2.4663 2.7651 2.7651 3.7022 3.7022 3.7028 3.7028 8.4630 8.4630 8.4652 8.4652 8.5305 8.5305 11.5963 11.5963 11.5975 11.5975 11.6512 11.6512 13.1018 13.1018 k = 0.0385 0.0385 0.0385 ( 2394 PWs) bands (ev): -25.8038 -25.8038 -8.6235 -8.6235 -7.4945 -7.4945 -7.4900 -7.4900 -5.2944 -5.2944 1.9981 1.9981 2.4073 2.4073 2.4306 2.4306 2.8459 2.8459 3.7497 3.7497 3.7505 3.7505 8.4215 8.4215 8.4234 8.4234 8.5239 8.5239 11.5829 11.5829 11.5842 11.5842 11.6631 11.6631 13.1800 13.1800 k = 0.0462 0.0462 0.0462 ( 2394 PWs) bands (ev): -25.8037 -25.8037 -8.6247 -8.6247 -7.4973 -7.4973 -7.4910 -7.4910 -5.2845 -5.2845 1.9254 1.9254 2.3672 2.3672 2.3902 2.3902 2.9283 2.9283 3.8044 3.8044 3.8054 3.8054 8.3719 8.3719 8.3735 8.3735 8.5149 8.5149 11.5705 11.5705 11.5718 11.5718 11.6776 11.6776 13.2699 13.2699 k = 0.0538 0.0538 0.0538 ( 2400 PWs) bands (ev): -25.8035 -25.8035 -8.6261 -8.6261 -7.5006 -7.5006 -7.4922 -7.4922 -5.2731 -5.2731 1.8536 1.8536 2.3235 2.3235 2.3464 2.3464 3.0116 3.0116 3.8652 3.8652 3.8663 3.8663 8.3150 8.3150 8.3162 8.3162 8.5033 8.5033 11.5600 11.5600 11.5614 11.5614 11.6947 11.6947 13.3692 13.3692 k = 0.0615 0.0615 0.0615 ( 2397 PWs) bands (ev): -25.8033 -25.8033 -8.6277 -8.6277 -7.5043 -7.5043 -7.4936 -7.4936 -5.2602 -5.2602 1.7833 1.7833 2.2771 2.2771 2.3000 2.3000 3.0955 3.0955 3.9311 3.9311 3.9323 3.9323 8.2514 8.2514 8.2522 8.2522 8.4884 8.4884 11.5524 11.5524 11.5538 11.5538 11.7145 11.7145 13.4758 13.4758 k = 0.0692 0.0692 0.0692 ( 2397 PWs) bands (ev): -25.8031 -25.8031 -8.6295 -8.6295 -7.5083 -7.5083 -7.4951 -7.4951 -5.2459 -5.2459 1.7146 1.7146 2.2289 2.2289 2.2517 2.2517 3.1798 3.1798 4.0014 4.0014 4.0026 4.0026 8.1820 8.1820 8.1823 8.1823 8.4697 8.4697 11.5484 11.5484 11.5498 11.5498 11.7370 11.7370 13.5875 13.5875 k = 0.0769 0.0769 0.0769 ( 2397 PWs) bands (ev): -25.8028 -25.8028 -8.6315 -8.6315 -7.5126 -7.5126 -7.4968 -7.4968 -5.2303 -5.2303 1.6478 1.6478 2.1794 2.1794 2.2022 2.2022 3.2643 3.2643 4.0753 4.0753 4.0765 4.0765 8.1073 8.1073 8.1075 8.1075 8.4466 8.4466 11.5482 11.5482 11.5497 11.5497 11.7620 11.7620 13.7022 13.7022 k = 0.0846 0.0846 0.0846 ( 2397 PWs) bands (ev): -25.8026 -25.8026 -8.6336 -8.6336 -7.5172 -7.5172 -7.4986 -7.4986 -5.2136 -5.2136 1.5832 1.5832 2.1290 2.1290 2.1519 2.1519 3.3490 3.3490 4.1524 4.1524 4.1536 4.1536 8.0278 8.0278 8.0286 8.0286 8.4187 8.4187 11.5522 11.5522 11.5538 11.5538 11.7897 11.7897 13.8176 13.8176 k = 0.0923 0.0923 0.0923 ( 2400 PWs) bands (ev): -25.8023 -25.8023 -8.6359 -8.6359 -7.5219 -7.5219 -7.5006 -7.5006 -5.1959 -5.1959 1.5208 1.5208 2.0782 2.0782 2.1012 2.1012 3.4336 3.4336 4.2322 4.2322 4.2333 4.2333 7.9447 7.9447 7.9460 7.9460 8.3854 8.3854 11.5605 11.5605 11.5620 11.5620 11.8200 11.8200 13.9310 13.9310 k = 0.1000 0.1000 0.1000 ( 2400 PWs) bands (ev): -25.8020 -25.8020 -8.6383 -8.6383 -7.5268 -7.5268 -7.5027 -7.5027 -5.1773 -5.1773 1.4608 1.4608 2.0273 2.0273 2.0503 2.0503 3.5181 3.5181 4.3143 4.3143 4.3155 4.3155 7.8585 7.8585 7.8605 7.8605 8.3463 8.3463 11.5730 11.5730 11.5745 11.5745 11.8530 11.8530 14.0395 14.0395 k = 0.1077 0.1077 0.1077 ( 2394 PWs) bands (ev): -25.8016 -25.8016 -8.6408 -8.6408 -7.5318 -7.5318 -7.5050 -7.5050 -5.1580 -5.1580 1.4035 1.4035 1.9763 1.9763 1.9995 1.9995 3.6026 3.6026 4.3986 4.3986 4.3996 4.3996 7.7698 7.7698 7.7725 7.7725 8.3010 8.3010 11.5898 11.5898 11.5913 11.5913 11.8885 11.8885 14.0879 14.0879 k = 0.1154 0.1154 0.1154 ( 2388 PWs) bands (ev): -25.8013 -25.8013 -8.6434 -8.6434 -7.5369 -7.5369 -7.5074 -7.5074 -5.1380 -5.1380 1.3488 1.3488 1.9256 1.9256 1.9489 1.9489 3.6868 3.6868 4.4846 4.4846 4.4856 4.4856 7.6794 7.6794 7.6829 7.6829 8.2494 8.2494 11.6107 11.6107 11.6122 11.6122 11.9267 11.9267 14.0442 14.0442 k = 0.1231 0.1231 0.1231 ( 2388 PWs) bands (ev): -25.8009 -25.8009 -8.6461 -8.6461 -7.5420 -7.5420 -7.5099 -7.5099 -5.1176 -5.1176 1.2969 1.2969 1.8753 1.8753 1.8986 1.8986 3.7707 3.7707 4.5722 4.5722 4.5731 4.5731 7.5877 7.5877 7.5919 7.5919 8.1914 8.1914 11.6358 11.6358 11.6371 11.6371 11.9675 11.9675 14.0131 14.0131 k = 0.1308 0.1308 0.1308 ( 2376 PWs) bands (ev): -25.8005 -25.8005 -8.6488 -8.6488 -7.5470 -7.5470 -7.5125 -7.5125 -5.0969 -5.0969 1.2479 1.2479 1.8254 1.8254 1.8488 1.8488 3.8544 3.8544 4.6611 4.6611 4.6619 4.6619 7.4952 7.4952 7.5002 7.5002 8.1271 8.1271 11.6648 11.6648 11.6661 11.6661 12.0109 12.0109 13.9952 13.9952 k = 0.1385 0.1385 0.1385 ( 2370 PWs) bands (ev): -25.8001 -25.8001 -8.6516 -8.6516 -7.5520 -7.5520 -7.5152 -7.5152 -5.0760 -5.0760 1.2019 1.2019 1.7760 1.7760 1.7995 1.7995 3.9377 3.9377 4.7512 4.7512 4.7520 4.7520 7.4024 7.4024 7.4083 7.4083 8.0566 8.0566 11.6977 11.6977 11.6989 11.6989 12.0569 12.0569 13.9903 13.9903 k = 0.1462 0.1462 0.1462 ( 2370 PWs) bands (ev): -25.7997 -25.7997 -8.6545 -8.6545 -7.5569 -7.5569 -7.5181 -7.5181 -5.0550 -5.0550 1.1589 1.1589 1.7273 1.7273 1.7508 1.7508 4.0205 4.0205 4.8423 4.8423 4.8429 4.8429 7.3097 7.3097 7.3164 7.3164 7.9804 7.9804 11.7344 11.7344 11.7355 11.7355 12.1055 12.1055 13.9978 13.9978 k = 0.1538 0.1538 0.1538 ( 2376 PWs) bands (ev): -25.7992 -25.7992 -8.6573 -8.6573 -7.5617 -7.5617 -7.5209 -7.5209 -5.0340 -5.0340 1.1190 1.1190 1.6792 1.6792 1.7027 1.7027 4.1028 4.1028 4.9341 4.9341 4.9347 4.9347 7.2173 7.2173 7.2251 7.2251 7.8989 7.8989 11.7748 11.7748 11.7757 11.7757 12.1567 12.1567 14.0170 14.0170 k = 0.1615 0.1615 0.1615 ( 2364 PWs) bands (ev): -25.7988 -25.7988 -8.6602 -8.6602 -7.5663 -7.5663 -7.5239 -7.5239 -5.0131 -5.0131 1.0821 1.0821 1.6319 1.6319 1.6553 1.6553 4.1846 4.1846 5.0266 5.0266 5.0271 5.0271 7.1258 7.1258 7.1345 7.1345 7.8128 7.8128 11.8188 11.8188 11.8196 11.8196 12.2104 12.2104 14.0469 14.0469 k = 0.1692 0.1692 0.1692 ( 2364 PWs) bands (ev): -25.7983 -25.7983 -8.6631 -8.6631 -7.5707 -7.5707 -7.5270 -7.5270 -4.9925 -4.9925 1.0483 1.0483 1.5852 1.5852 1.6085 1.6085 4.2656 4.2656 5.1194 5.1194 5.1199 5.1199 7.0354 7.0354 7.0452 7.0452 7.7229 7.7229 11.8664 11.8664 11.8670 11.8670 12.2668 12.2668 14.0862 14.0862 k = 0.1769 0.1769 0.1769 ( 2367 PWs) bands (ev): -25.7978 -25.7978 -8.6659 -8.6659 -7.5749 -7.5749 -7.5301 -7.5301 -4.9722 -4.9722 1.0176 1.0176 1.5393 1.5393 1.5625 1.5625 4.3457 4.3457 5.2125 5.2125 5.2129 5.2129 6.9464 6.9464 6.9572 6.9572 7.6299 7.6299 11.9175 11.9175 11.9178 11.9178 12.3257 12.3257 14.1332 14.1332 k = 0.1846 0.1846 0.1846 ( 2367 PWs) bands (ev): -25.7973 -25.7973 -8.6688 -8.6688 -7.5789 -7.5789 -7.5332 -7.5332 -4.9523 -4.9523 0.9898 0.9898 1.4941 1.4941 1.5171 1.5171 4.4248 4.4248 5.3055 5.3055 5.3059 5.3059 6.8591 6.8591 6.8711 6.8711 7.5348 7.5348 11.9720 11.9720 11.9721 11.9721 12.3872 12.3872 14.1861 14.1861 k = 0.1923 0.1923 0.1923 ( 2355 PWs) bands (ev): -25.7968 -25.7968 -8.6716 -8.6716 -7.5827 -7.5827 -7.5364 -7.5364 -4.9328 -4.9328 0.9650 0.9650 1.4498 1.4498 1.4725 1.4725 4.5027 4.5027 5.3982 5.3982 5.3986 5.3986 6.7738 6.7738 6.7870 6.7870 7.4384 7.4384 12.0297 12.0297 12.0299 12.0299 12.4512 12.4512 14.2424 14.2424 k = 0.2000 0.2000 0.2000 ( 2367 PWs) bands (ev): -25.7963 -25.7963 -8.6743 -8.6743 -7.5863 -7.5863 -7.5396 -7.5396 -4.9139 -4.9139 0.9430 0.9430 1.4062 1.4062 1.4286 1.4286 4.5791 4.5791 5.4903 5.4903 5.4907 5.4907 6.6910 6.6910 6.7053 6.7053 7.3419 7.3419 12.0907 12.0907 12.0911 12.0911 12.5178 12.5178 14.2996 14.2996 k = 0.2077 0.2077 0.2077 ( 2361 PWs) bands (ev): -25.7958 -25.7958 -8.6770 -8.6770 -7.5896 -7.5896 -7.5428 -7.5428 -4.8954 -4.8954 0.9236 0.9236 1.3634 1.3634 1.3855 1.3855 4.6536 4.6536 5.5812 5.5812 5.5817 5.5817 6.6111 6.6111 6.6265 6.6265 7.2462 7.2462 12.1549 12.1549 12.1556 12.1556 12.5869 12.5869 14.3544 14.3544 k = 0.2154 0.2154 0.2154 ( 2370 PWs) bands (ev): -25.7953 -25.7953 -8.6797 -8.6797 -7.5927 -7.5927 -7.5461 -7.5461 -4.8776 -4.8776 0.9067 0.9067 1.3214 1.3214 1.3431 1.3431 4.7258 4.7258 5.6703 5.6703 5.6709 5.6709 6.5347 6.5347 6.5513 6.5513 7.1525 7.1525 12.2223 12.2223 12.2234 12.2234 12.6586 12.6586 14.4042 14.4042 k = 0.2231 0.2231 0.2231 ( 2371 PWs) bands (ev): -25.7947 -25.7947 -8.6823 -8.6823 -7.5955 -7.5955 -7.5493 -7.5493 -4.8603 -4.8603 0.8922 0.8922 1.2802 1.2802 1.3015 1.3015 4.7952 4.7952 5.7563 5.7563 5.7573 5.7573 6.4631 6.4631 6.4807 6.4807 7.0621 7.0621 12.2929 12.2929 12.2943 12.2943 12.7327 12.7327 14.4465 14.4465 k = 0.2308 0.2308 0.2308 ( 2377 PWs) bands (ev): -25.7942 -25.7942 -8.6848 -8.6848 -7.5981 -7.5981 -7.5525 -7.5525 -4.8436 -4.8436 0.8798 0.8798 1.2398 1.2398 1.2606 1.2606 4.8613 4.8613 5.8369 5.8369 5.8388 5.8388 6.3985 6.3985 6.4167 6.4167 6.9761 6.9761 12.3667 12.3667 12.3685 12.3685 12.8094 12.8094 14.4800 14.4800 k = 0.2385 0.2385 0.2385 ( 2389 PWs) bands (ev): -25.7937 -25.7937 -8.6873 -8.6873 -7.6005 -7.6005 -7.5558 -7.5558 -4.8275 -4.8275 0.8693 0.8693 1.2003 1.2003 1.2205 1.2205 4.9232 4.9232 5.9076 5.9076 5.9113 5.9113 6.3455 6.3455 6.3633 6.3633 6.8960 6.8960 12.4436 12.4436 12.4458 12.4458 12.8886 12.8886 14.5045 14.5045 k = 0.2462 0.2462 0.2462 ( 2383 PWs) bands (ev): -25.7931 -25.7931 -8.6896 -8.6896 -7.6026 -7.6026 -7.5589 -7.5589 -4.8119 -4.8119 0.8604 0.8604 1.1616 1.1616 1.1812 1.1812 4.9800 4.9800 5.9587 5.9587 5.9663 5.9663 6.3136 6.3136 6.3290 6.3290 6.8232 6.8232 12.5236 12.5236 12.5263 12.5263 12.9703 12.9703 14.5210 14.5210 k = 0.2538 0.2538 0.2538 ( 2383 PWs) bands (ev): -25.7926 -25.7926 -8.6919 -8.6919 -7.6045 -7.6045 -7.5621 -7.5621 -4.7968 -4.7968 0.8528 0.8528 1.1237 1.1237 1.1427 1.1427 5.0308 5.0308 5.9772 5.9772 5.9910 5.9910 6.3156 6.3156 6.3264 6.3264 6.7593 6.7593 12.6067 12.6067 12.6098 12.6098 13.0545 13.0545 14.5307 14.5307 k = 0.2615 0.2615 0.2615 ( 2389 PWs) bands (ev): -25.7920 -25.7920 -8.6942 -8.6942 -7.6062 -7.6062 -7.5652 -7.5652 -4.7822 -4.7822 0.8463 0.8463 1.0867 1.0867 1.1049 1.1049 5.0746 5.0746 5.9608 5.9608 5.9809 5.9809 6.3538 6.3538 6.3599 6.3599 6.7058 6.7058 12.6928 12.6928 12.6964 12.6964 13.1411 13.1411 14.5351 14.5351 k = 0.2692 0.2692 0.2692 ( 2377 PWs) bands (ev): -25.7915 -25.7915 -8.6963 -8.6963 -7.6077 -7.6077 -7.5683 -7.5683 -4.7681 -4.7681 0.8405 0.8405 1.0506 1.0506 1.0680 1.0680 5.1103 5.1103 5.9229 5.9229 5.9473 5.9473 6.4147 6.4147 6.4181 6.4181 6.6641 6.6641 12.7818 12.7818 12.7860 12.7860 13.2301 13.2301 14.5354 14.5354 k = 0.2769 0.2769 0.2769 ( 2377 PWs) bands (ev): -25.7910 -25.7910 -8.6984 -8.6984 -7.6090 -7.6090 -7.5713 -7.5713 -4.7544 -4.7544 0.8351 0.8351 1.0153 1.0153 1.0319 1.0319 5.1374 5.1374 5.8753 5.8753 5.9029 5.9029 6.4863 6.4863 6.4883 6.4883 6.6354 6.6354 12.8738 12.8738 12.8785 12.8785 13.3216 13.3216 14.5326 14.5326 k = 0.2846 0.2846 0.2846 ( 2377 PWs) bands (ev): -25.7905 -25.7905 -8.7004 -8.7004 -7.6102 -7.6102 -7.5743 -7.5743 -4.7410 -4.7410 0.8298 0.8298 0.9810 0.9810 0.9966 0.9966 5.1554 5.1554 5.8242 5.8242 5.8542 5.8542 6.5624 6.5624 6.5636 6.5636 6.6203 6.6203 12.9686 12.9686 12.9739 12.9739 13.4156 13.4156 14.5275 14.5275 k = 0.2923 0.2923 0.2923 ( 2371 PWs) bands (ev): -25.7899 -25.7899 -8.7023 -8.7023 -7.6112 -7.6112 -7.5772 -7.5772 -4.7280 -4.7280 0.8242 0.8242 0.9477 0.9477 0.9621 0.9621 5.1646 5.1646 5.7723 5.7723 5.8045 5.8045 6.6185 6.6185 6.6403 6.6403 6.6408 6.6408 13.0662 13.0662 13.0721 13.0721 13.5119 13.5119 14.5209 14.5209 k = 0.3000 0.3000 0.3000 ( 2371 PWs) bands (ev): -25.7894 -25.7894 -8.7042 -8.7042 -7.6121 -7.6121 -7.5800 -7.5800 -4.7152 -4.7152 0.8181 0.8181 0.9154 0.9154 0.9286 0.9286 5.1658 5.1658 5.7210 5.7210 5.7553 5.7553 6.6304 6.6304 6.7179 6.7179 6.7181 6.7181 13.1665 13.1665 13.1731 13.1731 13.6106 13.6106 14.5130 14.5130 k = 0.3077 0.3077 0.3077 ( 2377 PWs) bands (ev): -25.7889 -25.7889 -8.7059 -8.7059 -7.6128 -7.6128 -7.5828 -7.5828 -4.7026 -4.7026 0.8110 0.8110 0.8842 0.8842 0.8960 0.8960 5.1603 5.1603 5.6710 5.6710 5.7072 5.7072 6.6540 6.6540 6.7947 6.7947 6.7948 6.7948 13.2694 13.2694 13.2767 13.2767 13.7117 13.7117 14.5043 14.5043 k = 0.3154 0.3154 0.3154 ( 2371 PWs) bands (ev): -25.7884 -25.7884 -8.7076 -8.7076 -7.6135 -7.6135 -7.5855 -7.5855 -4.6903 -4.6903 0.8024 0.8024 0.8545 0.8545 0.8642 0.8642 5.1497 5.1497 5.6227 5.6227 5.6608 5.6608 6.6882 6.6882 6.8701 6.8701 6.8703 6.8703 13.3748 13.3748 13.3827 13.3827 13.8151 13.8151 14.4951 14.4951 k = 0.3231 0.3231 0.3231 ( 2371 PWs) bands (ev): -25.7879 -25.7879 -8.7093 -8.7093 -7.6140 -7.6140 -7.5881 -7.5881 -4.6781 -4.6781 0.7915 0.7915 0.8269 0.8269 0.8335 0.8335 5.1356 5.1356 5.5764 5.5764 5.6162 5.6162 6.7312 6.7312 6.9438 6.9438 6.9441 6.9441 13.4824 13.4824 13.4911 13.4911 13.9209 13.9209 14.4854 14.4854 k = 0.3308 0.3308 0.3308 ( 2365 PWs) bands (ev): -25.7875 -25.7875 -8.7108 -8.7108 -7.6145 -7.6145 -7.5906 -7.5906 -4.6660 -4.6660 0.7765 0.7765 0.8031 0.8031 0.8037 0.8037 5.1196 5.1196 5.5322 5.5322 5.5737 5.5737 6.7814 6.7814 7.0155 7.0155 7.0159 7.0159 13.5922 13.5922 13.6017 13.6017 14.0290 14.0290 14.4755 14.4755 k = 0.3385 0.3385 0.3385 ( 2371 PWs) bands (ev): -25.7870 -25.7870 -8.7123 -8.7123 -7.6149 -7.6149 -7.5930 -7.5930 -4.6540 -4.6540 0.7559 0.7559 0.7749 0.7749 0.7844 0.7844 5.1032 5.1032 5.4901 5.4901 5.5332 5.5332 6.8374 6.8374 7.0850 7.0850 7.0855 7.0855 13.7039 13.7039 13.7143 13.7143 14.1393 14.1393 14.4653 14.4653 k = 0.3462 0.3462 0.3462 ( 2371 PWs) bands (ev): -25.7866 -25.7866 -8.7137 -8.7137 -7.6152 -7.6152 -7.5953 -7.5953 -4.6422 -4.6422 0.7322 0.7322 0.7472 0.7472 0.7684 0.7684 5.0872 5.0872 5.4502 5.4502 5.4949 5.4949 6.8978 6.8978 7.1521 7.1521 7.1527 7.1527 13.8173 13.8173 13.8286 13.8286 14.2519 14.2519 14.4551 14.4551 k = 0.3538 0.3538 0.3538 ( 2374 PWs) bands (ev): -25.7861 -25.7861 -8.7151 -8.7151 -7.6155 -7.6155 -7.5975 -7.5975 -4.6304 -4.6304 0.7079 0.7079 0.7206 0.7206 0.7525 0.7525 5.0727 5.0727 5.4126 5.4126 5.4587 5.4587 6.9613 6.9613 7.2167 7.2167 7.2174 7.2174 13.9320 13.9320 13.9444 13.9444 14.3667 14.3667 14.4447 14.4447 k = 0.3615 0.3615 0.3615 ( 2374 PWs) bands (ev): -25.7857 -25.7857 -8.7164 -8.7164 -7.6158 -7.6158 -7.5996 -7.5996 -4.6188 -4.6188 0.6840 0.6840 0.6951 0.6951 0.7358 0.7358 5.0602 5.0602 5.3772 5.3772 5.4246 5.4246 7.0270 7.0270 7.2785 7.2785 7.2793 7.2793 14.0479 14.0479 14.0613 14.0613 14.4342 14.4342 14.4837 14.4837 k = 0.3692 0.3692 0.3692 ( 2380 PWs) bands (ev): -25.7853 -25.7853 -8.7176 -8.7176 -7.6161 -7.6161 -7.6016 -7.6016 -4.6073 -4.6073 0.6609 0.6609 0.6707 0.6707 0.7180 0.7180 5.0501 5.0501 5.3441 5.3441 5.3926 5.3926 7.0941 7.0941 7.3376 7.3376 7.3384 7.3384 14.1643 14.1643 14.1789 14.1789 14.4237 14.4237 14.6029 14.6029 k = 0.3769 0.3769 0.3769 ( 2380 PWs) bands (ev): -25.7850 -25.7850 -8.7187 -8.7187 -7.6163 -7.6163 -7.6035 -7.6035 -4.5959 -4.5959 0.6389 0.6389 0.6475 0.6475 0.6992 0.6992 5.0425 5.0425 5.3132 5.3132 5.3627 5.3627 7.1616 7.1616 7.3937 7.3937 7.3946 7.3946 14.2804 14.2804 14.2969 14.2969 14.4137 14.4137 14.7242 14.7242 k = 0.3846 0.3846 0.3846 ( 2374 PWs) bands (ev): -25.7846 -25.7846 -8.7198 -8.7198 -7.6165 -7.6165 -7.6053 -7.6053 -4.5847 -4.5847 0.6180 0.6180 0.6255 0.6255 0.6795 0.6795 5.0374 5.0374 5.2846 5.2846 5.3349 5.3349 7.2288 7.2288 7.4468 7.4468 7.4478 7.4478 14.3837 14.3837 14.4148 14.4148 14.4160 14.4160 14.8475 14.8475 k = 0.3923 0.3923 0.3923 ( 2374 PWs) bands (ev): -25.7843 -25.7843 -8.7208 -8.7208 -7.6167 -7.6167 -7.6070 -7.6070 -4.5738 -4.5738 0.5982 0.5982 0.6047 0.6047 0.6591 0.6591 5.0348 5.0348 5.2582 5.2582 5.3091 5.3091 7.2952 7.2952 7.4968 7.4968 7.4979 7.4979 14.3868 14.3868 14.5177 14.5177 14.5319 14.5319 14.9728 14.9728 k = 0.4000 0.4000 0.4000 ( 2377 PWs) bands (ev): -25.7839 -25.7839 -8.7217 -8.7217 -7.6169 -7.6169 -7.6086 -7.6086 -4.5632 -4.5632 0.5796 0.5796 0.5852 0.5852 0.6382 0.6382 5.0344 5.0344 5.2342 5.2342 5.2853 5.2853 7.3601 7.3601 7.5436 7.5436 7.5447 7.5447 14.3757 14.3757 14.6317 14.6317 14.6478 14.6478 14.9410 14.9410 k = 0.4077 0.4077 0.4077 ( 2377 PWs) bands (ev): -25.7836 -25.7836 -8.7226 -8.7226 -7.6171 -7.6171 -7.6100 -7.6100 -4.5529 -4.5529 0.5622 0.5622 0.5670 0.5670 0.6172 0.6172 5.0357 5.0357 5.2125 5.2125 5.2634 5.2634 7.4230 7.4230 7.5871 7.5871 7.5884 7.5884 14.3637 14.3637 14.7446 14.7446 14.7616 14.7616 14.8527 14.8527 k = 0.4154 0.4154 0.4154 ( 2371 PWs) bands (ev): -25.7834 -25.7834 -8.7234 -8.7234 -7.6173 -7.6173 -7.6114 -7.6114 -4.5430 -4.5430 0.5461 0.5461 0.5502 0.5502 0.5964 0.5964 5.0384 5.0384 5.1933 5.1933 5.2434 5.2434 7.4832 7.4832 7.6274 7.6274 7.6287 7.6287 14.3510 14.3510 14.7709 14.7709 14.8552 14.8552 14.8726 14.8726 k = 0.4231 0.4231 0.4231 ( 2371 PWs) bands (ev): -25.7831 -25.7831 -8.7242 -8.7242 -7.6174 -7.6174 -7.6126 -7.6126 -4.5337 -4.5337 0.5313 0.5313 0.5347 0.5347 0.5760 0.5760 5.0418 5.0418 5.1767 5.1767 5.2254 5.2254 7.5403 7.5403 7.6643 7.6643 7.6657 7.6657 14.3379 14.3379 14.6957 14.6957 14.9625 14.9625 14.9800 14.9800 k = 0.4308 0.4308 0.4308 ( 2368 PWs) bands (ev): -25.7829 -25.7829 -8.7249 -8.7249 -7.6176 -7.6176 -7.6137 -7.6137 -4.5249 -4.5249 0.5179 0.5179 0.5206 0.5206 0.5564 0.5564 5.0455 5.0455 5.1629 5.1629 5.2091 5.2091 7.5938 7.5938 7.6978 7.6978 7.6992 7.6992 14.3244 14.3244 14.6275 14.6275 15.0658 15.0658 15.0827 15.0827 k = 0.4385 0.4385 0.4385 ( 2374 PWs) bands (ev): -25.7827 -25.7827 -8.7255 -8.7255 -7.6178 -7.6178 -7.6147 -7.6147 -4.5169 -4.5169 0.5058 0.5058 0.5079 0.5079 0.5379 0.5379 5.0487 5.0487 5.1521 5.1521 5.1947 5.1947 7.6431 7.6431 7.7278 7.7278 7.7293 7.7293 14.3108 14.3108 14.5664 14.5664 15.1642 15.1642 15.1798 15.1798 k = 0.4462 0.4462 0.4462 ( 2374 PWs) bands (ev): -25.7825 -25.7825 -8.7260 -8.7260 -7.6179 -7.6179 -7.6156 -7.6156 -4.5095 -4.5095 0.4950 0.4950 0.4967 0.4967 0.5208 0.5208 5.0507 5.0507 5.1444 5.1444 5.1821 5.1821 7.6878 7.6878 7.7544 7.7544 7.7560 7.7560 14.2974 14.2974 14.5126 14.5126 15.2566 15.2566 15.2698 15.2698 k = 0.4538 0.4538 0.4538 ( 2374 PWs) bands (ev): -25.7823 -25.7823 -8.7265 -8.7265 -7.6180 -7.6180 -7.6163 -7.6163 -4.5030 -4.5030 0.4857 0.4857 0.4869 0.4869 0.5054 0.5054 5.0514 5.0514 5.1399 5.1399 5.1712 5.1712 7.7276 7.7276 7.7775 7.7775 7.7791 7.7791 14.2846 14.2846 14.4659 14.4659 15.3419 15.3419 15.3512 15.3512 k = 0.4615 0.4615 0.4615 ( 2371 PWs) bands (ev): -25.7822 -25.7822 -8.7269 -8.7269 -7.6182 -7.6182 -7.6170 -7.6170 -4.4973 -4.4973 0.4778 0.4778 0.4786 0.4786 0.4919 0.4919 5.0507 5.0507 5.1380 5.1380 5.1620 5.1620 7.7619 7.7619 7.7971 7.7971 7.7988 7.7988 14.2728 14.2728 14.4264 14.4264 15.4184 15.4184 15.4221 15.4221 k = 0.4692 0.4692 0.4692 ( 2371 PWs) bands (ev): -25.7821 -25.7821 -8.7272 -8.7272 -7.6183 -7.6183 -7.6175 -7.6175 -4.4925 -4.4925 0.4712 0.4712 0.4718 0.4718 0.4805 0.4805 5.0491 5.0491 5.1379 5.1379 5.1545 5.1545 7.7905 7.7905 7.8132 7.8132 7.8149 7.8149 14.2625 14.2625 14.3940 14.3940 15.4805 15.4805 15.4839 15.4839 k = 0.4769 0.4769 0.4769 ( 2365 PWs) bands (ev): -25.7820 -25.7820 -8.7274 -8.7274 -7.6183 -7.6183 -7.6179 -7.6179 -4.4888 -4.4888 0.4662 0.4662 0.4665 0.4665 0.4715 0.4715 5.0472 5.0472 5.1388 5.1388 5.1487 5.1487 7.8130 7.8130 7.8256 7.8256 7.8274 7.8274 14.2542 14.2542 14.3685 14.3685 15.5250 15.5250 15.5354 15.5354 k = 0.4846 0.4846 0.4846 ( 2353 PWs) bands (ev): -25.7819 -25.7819 -8.7276 -8.7276 -7.6184 -7.6184 -7.6182 -7.6182 -4.4861 -4.4861 0.4626 0.4626 0.4627 0.4627 0.4650 0.4650 5.0455 5.0455 5.1400 5.1400 5.1446 5.1446 7.8292 7.8292 7.8346 7.8346 7.8365 7.8365 14.2482 14.2482 14.3502 14.3502 15.5555 15.5555 15.5677 15.5677 k = 0.4923 0.4923 0.4923 ( 2326 PWs) bands (ev): -25.7819 -25.7819 -8.7277 -8.7277 -7.6184 -7.6184 -7.6184 -7.6184 -4.4844 -4.4844 0.4604 0.4604 0.4604 0.4604 0.4610 0.4610 5.0444 5.0444 5.1409 5.1409 5.1421 5.1421 7.8388 7.8388 7.8399 7.8399 7.8422 7.8422 14.2446 14.2446 14.3390 14.3390 15.5730 15.5730 15.5781 15.5781 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -25.7819 -25.7819 -8.7278 -8.7278 -7.6184 -7.6184 -7.6184 -7.6184 -4.4838 -4.4838 0.4597 0.4597 0.4597 0.4597 0.4597 0.4597 5.0440 5.0440 5.1413 5.1413 5.1413 5.1413 7.8417 7.8417 7.8417 7.8417 7.8443 7.8443 14.2434 14.2434 14.3353 14.3353 15.5787 15.5787 15.5787 15.5787 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -25.7819 -25.7819 -8.7278 -8.7278 -7.6184 -7.6184 -7.6184 -7.6184 -4.4838 -4.4838 0.4597 0.4597 0.4597 0.4597 0.4597 0.4597 5.0440 5.0440 5.1413 5.1413 5.1413 5.1413 7.8417 7.8417 7.8417 7.8417 7.8443 7.8443 14.2434 14.2434 14.3353 14.3353 15.5787 15.5787 15.5787 15.5787 k = 0.4906 0.5000 0.4906 ( 2328 PWs) bands (ev): -25.7819 -25.7819 -8.7277 -8.7277 -7.6185 -7.6185 -7.6183 -7.6183 -4.4844 -4.4844 0.4598 0.4598 0.4607 0.4607 0.4613 0.4613 5.0444 5.0444 5.1408 5.1408 5.1422 5.1422 7.8381 7.8381 7.8399 7.8399 7.8429 7.8429 14.2446 14.2446 14.3390 14.3390 15.5729 15.5729 15.5783 15.5783 k = 0.4811 0.5000 0.4811 ( 2348 PWs) bands (ev): -25.7819 -25.7819 -8.7276 -8.7276 -7.6186 -7.6186 -7.6180 -7.6180 -4.4861 -4.4861 0.4603 0.4603 0.4638 0.4638 0.4662 0.4662 5.0455 5.0455 5.1395 5.1395 5.1451 5.1451 7.8261 7.8261 7.8323 7.8323 7.8418 7.8418 14.2482 14.2482 14.3502 14.3502 15.5549 15.5549 15.5694 15.5694 k = 0.4717 0.5000 0.4717 ( 2366 PWs) bands (ev): -25.7820 -25.7820 -8.7274 -8.7274 -7.6188 -7.6188 -7.6174 -7.6174 -4.4888 -4.4888 0.4609 0.4609 0.4691 0.4691 0.4743 0.4743 5.0469 5.0469 5.1378 5.1378 5.1500 5.1500 7.8060 7.8060 7.8194 7.8194 7.8406 7.8406 14.2542 14.2542 14.3686 14.3686 15.5238 15.5238 15.5403 15.5403 k = 0.4623 0.5000 0.4623 ( 2370 PWs) bands (ev): -25.7821 -25.7821 -8.7272 -8.7272 -7.6191 -7.6191 -7.6167 -7.6167 -4.4926 -4.4926 0.4618 0.4618 0.4764 0.4764 0.4856 0.4856 5.0481 5.0481 5.1363 5.1363 5.1570 5.1570 7.7781 7.7781 7.8015 7.8015 7.8388 7.8388 14.2625 14.2625 14.3937 14.3937 15.4781 15.4781 15.4953 15.4953 k = 0.4528 0.5000 0.4528 ( 2370 PWs) bands (ev): -25.7822 -25.7822 -8.7269 -8.7269 -7.6195 -7.6195 -7.6157 -7.6157 -4.4973 -4.4973 0.4628 0.4628 0.4858 0.4858 0.5000 0.5000 5.0483 5.0483 5.1359 5.1359 5.1661 5.1661 7.7427 7.7427 7.7785 7.7785 7.8366 7.8366 14.2732 14.2732 14.4247 14.4247 15.4163 15.4163 15.4428 15.4428 k = 0.4434 0.5000 0.4434 ( 2378 PWs) bands (ev): -25.7823 -25.7823 -8.7265 -8.7265 -7.6199 -7.6199 -7.6144 -7.6144 -4.5030 -4.5030 0.4639 0.4639 0.4973 0.4973 0.5175 0.5175 5.0467 5.0467 5.1375 5.1375 5.1776 5.1776 7.7004 7.7004 7.7506 7.7506 7.8338 7.8338 14.2862 14.2862 14.4607 14.4607 15.3402 15.3402 15.3873 15.3873 k = 0.4340 0.5000 0.4340 ( 2378 PWs) bands (ev): -25.7825 -25.7825 -8.7260 -8.7260 -7.6205 -7.6205 -7.6130 -7.6130 -4.5096 -4.5096 0.4648 0.4648 0.5109 0.5109 0.5379 0.5379 5.0428 5.0428 5.1417 5.1417 5.1915 5.1915 7.6514 7.6514 7.7178 7.7178 7.8303 7.8303 14.3016 14.3016 14.4999 14.4999 15.2530 15.2530 15.3263 15.3263 k = 0.4245 0.5000 0.4245 ( 2378 PWs) bands (ev): -25.7827 -25.7827 -8.7255 -8.7255 -7.6211 -7.6211 -7.6113 -7.6113 -4.5170 -4.5170 0.4656 0.4656 0.5266 0.5266 0.5611 0.5611 5.0367 5.0367 5.1486 5.1486 5.2079 5.2079 7.5965 7.5965 7.6801 7.6801 7.8261 7.8261 14.3194 14.3194 14.5398 14.5398 15.1571 15.1571 15.2144 15.2144 k = 0.4151 0.5000 0.4151 ( 2376 PWs) bands (ev): -25.7829 -25.7829 -8.7249 -8.7249 -7.6218 -7.6218 -7.6095 -7.6095 -4.5251 -4.5251 0.4661 0.4661 0.5443 0.5443 0.5871 0.5871 5.0291 5.0291 5.1581 5.1581 5.2268 5.2268 7.5361 7.5361 7.6378 7.6378 7.8212 7.8212 14.3394 14.3394 14.5771 14.5771 15.0489 15.0489 15.0680 15.0680 k = 0.4057 0.5000 0.4057 ( 2372 PWs) bands (ev): -25.7831 -25.7831 -8.7243 -8.7243 -7.6226 -7.6226 -7.6074 -7.6074 -4.5339 -4.5339 0.4660 0.4660 0.5642 0.5642 0.6156 0.6156 5.0206 5.0206 5.1696 5.1696 5.2481 5.2481 7.4709 7.4709 7.5909 7.5909 7.8154 7.8154 14.3617 14.3617 14.6072 14.6072 14.8905 14.8905 14.9543 14.9543 k = 0.3962 0.5000 0.3962 ( 2376 PWs) bands (ev): -25.7834 -25.7834 -8.7236 -8.7236 -7.6235 -7.6235 -7.6051 -7.6051 -4.5432 -4.5432 0.4653 0.4653 0.5860 0.5860 0.6465 0.6465 5.0120 5.0120 5.1829 5.1829 5.2717 5.2717 7.4017 7.4017 7.5396 7.5396 7.8089 7.8089 14.3862 14.3862 14.6246 14.6246 14.7162 14.7162 14.8465 14.8465 k = 0.3868 0.5000 0.3868 ( 2376 PWs) bands (ev): -25.7836 -25.7836 -8.7228 -8.7228 -7.6245 -7.6245 -7.6025 -7.6025 -4.5530 -4.5530 0.4638 0.4638 0.6100 0.6100 0.6798 0.6798 5.0040 5.0040 5.1980 5.1980 5.2973 5.2973 7.3291 7.3291 7.4840 7.4840 7.8014 7.8014 14.4127 14.4127 14.5325 14.5325 14.6304 14.6304 14.7383 14.7383 k = 0.3774 0.5000 0.3774 ( 2376 PWs) bands (ev): -25.7839 -25.7839 -8.7220 -8.7220 -7.6255 -7.6255 -7.5998 -7.5998 -4.5632 -4.5632 0.4612 0.4612 0.6360 0.6360 0.7152 0.7152 4.9970 4.9970 5.2145 5.2145 5.3245 5.3245 7.2541 7.2541 7.4242 7.4242 7.7930 7.7930 14.3477 14.3477 14.4418 14.4418 14.6179 14.6179 14.6309 14.6309 k = 0.3679 0.5000 0.3679 ( 2380 PWs) bands (ev): -25.7842 -25.7842 -8.7212 -8.7212 -7.6267 -7.6267 -7.5969 -7.5969 -4.5736 -4.5736 0.4576 0.4576 0.6640 0.6640 0.7525 0.7525 4.9918 4.9918 5.2325 5.2325 5.3529 5.3529 7.1776 7.1776 7.3604 7.3604 7.7837 7.7837 14.1605 14.1605 14.4718 14.4718 14.5235 14.5235 14.5957 14.5957 k = 0.3585 0.5000 0.3585 ( 2380 PWs) bands (ev): -25.7845 -25.7845 -8.7203 -8.7203 -7.6279 -7.6279 -7.5938 -7.5938 -4.5843 -4.5843 0.4525 0.4525 0.6940 0.6940 0.7917 0.7917 4.9887 4.9887 5.2519 5.2519 5.3819 5.3819 7.1006 7.1006 7.2928 7.2928 7.7735 7.7735 13.9716 13.9716 14.4166 14.4166 14.5051 14.5051 14.5655 14.5655 k = 0.3491 0.5000 0.3491 ( 2380 PWs) bands (ev): -25.7849 -25.7849 -8.7194 -8.7194 -7.6292 -7.6292 -7.5905 -7.5905 -4.5951 -4.5951 0.4461 0.4461 0.7261 0.7261 0.8326 0.8326 4.9882 4.9882 5.2728 5.2728 5.4106 5.4106 7.0244 7.0244 7.2215 7.2215 7.7623 7.7623 13.7821 13.7821 14.3128 14.3128 14.5247 14.5247 14.5448 14.5448 k = 0.3396 0.5000 0.3396 ( 2380 PWs) bands (ev): -25.7852 -25.7852 -8.7185 -8.7185 -7.6306 -7.6306 -7.5870 -7.5870 -4.6059 -4.6059 0.4380 0.4380 0.7602 0.7602 0.8749 0.8749 4.9908 4.9908 5.2952 5.2952 5.4380 5.4380 6.9505 6.9505 7.1468 7.1468 7.7502 7.7502 13.5926 13.5926 14.2109 14.2109 14.4906 14.4906 14.5772 14.5772 k = 0.3302 0.5000 0.3302 ( 2380 PWs) bands (ev): -25.7856 -25.7856 -8.7175 -8.7175 -7.6321 -7.6321 -7.5833 -7.5833 -4.6166 -4.6166 0.4282 0.4282 0.7963 0.7963 0.9187 0.9187 4.9967 4.9967 5.3190 5.3190 5.4627 5.4627 6.8807 6.8807 7.0687 7.0687 7.7372 7.7372 13.4034 13.4034 14.1113 14.1113 14.4525 14.4525 14.6140 14.6140 k = 0.3208 0.5000 0.3208 ( 2380 PWs) bands (ev): -25.7860 -25.7860 -8.7166 -8.7166 -7.6337 -7.6337 -7.5795 -7.5795 -4.6272 -4.6272 0.4165 0.4165 0.8344 0.8344 0.9637 0.9637 5.0064 5.0064 5.3443 5.3443 5.4829 5.4829 6.8170 6.8170 6.9875 6.9875 7.7233 7.7233 13.2149 13.2149 14.0143 14.0143 14.4141 14.4141 14.6516 14.6516 k = 0.3113 0.5000 0.3113 ( 2376 PWs) bands (ev): -25.7864 -25.7864 -8.7156 -8.7156 -7.6353 -7.6353 -7.5755 -7.5755 -4.6376 -4.6376 0.4030 0.4030 0.8744 0.8744 1.0099 1.0099 5.0201 5.0201 5.3711 5.3711 5.4966 5.4966 6.7620 6.7620 6.9034 6.9034 7.7086 7.7086 13.0276 13.0276 13.9199 13.9199 14.3761 14.3761 14.6891 14.6891 k = 0.3019 0.5000 0.3019 ( 2382 PWs) bands (ev): -25.7868 -25.7868 -8.7146 -8.7146 -7.6370 -7.6370 -7.5713 -7.5713 -4.6477 -4.6477 0.3876 0.3876 0.9164 0.9164 1.0570 1.0570 5.0380 5.0380 5.3993 5.3993 5.5015 5.5015 6.7183 6.7183 6.8166 6.8166 7.6932 7.6932 12.8416 12.8416 13.8283 13.8283 14.3390 14.3390 14.7248 14.7248 k = 0.2925 0.5000 0.2925 ( 2378 PWs) bands (ev): -25.7872 -25.7872 -8.7136 -8.7136 -7.6388 -7.6388 -7.5670 -7.5670 -4.6575 -4.6575 0.3703 0.3703 0.9603 0.9603 1.1051 1.1051 5.0602 5.0602 5.4286 5.4286 5.4955 5.4955 6.6883 6.6883 6.7273 6.7273 7.6770 7.6770 12.6571 12.6571 13.7397 13.7397 14.3028 14.3028 14.7558 14.7558 k = 0.2830 0.5000 0.2830 ( 2378 PWs) bands (ev): -25.7876 -25.7876 -8.7126 -8.7126 -7.6406 -7.6406 -7.5626 -7.5626 -4.6670 -4.6670 0.3510 0.3510 1.0061 1.0061 1.1539 1.1539 5.0869 5.0869 5.4555 5.4555 5.4807 5.4807 6.6355 6.6355 6.6741 6.6741 7.6601 7.6601 12.4744 12.4744 13.6539 13.6539 14.2676 14.2676 14.7765 14.7765 k = 0.2736 0.5000 0.2736 ( 2378 PWs) bands (ev): -25.7881 -25.7881 -8.7117 -8.7117 -7.6425 -7.6425 -7.5580 -7.5580 -4.6760 -4.6760 0.3299 0.3299 1.0538 1.0538 1.2034 1.2034 5.1182 5.1182 5.4387 5.4387 5.4975 5.4975 6.5417 6.5417 6.6764 6.6764 7.6427 7.6427 12.2937 12.2937 13.5712 13.5712 14.2334 14.2334 14.7777 14.7777 k = 0.2642 0.5000 0.2642 ( 2378 PWs) bands (ev): -25.7885 -25.7885 -8.7107 -8.7107 -7.6444 -7.6444 -7.5533 -7.5533 -4.6845 -4.6845 0.3070 0.3070 1.1033 1.1033 1.2536 1.2536 5.1540 5.1540 5.3937 5.3937 5.5311 5.5311 6.4459 6.4459 6.6951 6.6951 7.6248 7.6248 12.1150 12.1150 13.4914 13.4914 14.2001 14.2001 14.7501 14.7501 k = 0.2547 0.5000 0.2547 ( 2386 PWs) bands (ev): -25.7889 -25.7889 -8.7098 -8.7098 -7.6463 -7.6463 -7.5486 -7.5486 -4.6926 -4.6926 0.2824 0.2824 1.1547 1.1547 1.3044 1.3044 5.1943 5.1943 5.3360 5.3360 5.5671 5.5671 6.3483 6.3483 6.7288 6.7288 7.6064 7.6064 11.9387 11.9387 13.4147 13.4147 14.1677 14.1677 14.6937 14.6937 k = 0.2453 0.5000 0.2453 ( 2386 PWs) bands (ev): -25.7894 -25.7894 -8.7089 -8.7089 -7.6482 -7.6482 -7.5437 -7.5437 -4.7002 -4.7002 0.2563 0.2563 1.2079 1.2079 1.3556 1.3556 5.2389 5.2389 5.2682 5.2682 5.6051 5.6051 6.2491 6.2491 6.7758 6.7758 7.5876 7.5876 11.7647 11.7647 13.3410 13.3410 14.1361 14.1361 14.6176 14.6176 k = 0.2358 0.5000 0.2358 ( 2384 PWs) bands (ev): -25.7898 -25.7898 -8.7080 -8.7080 -7.6502 -7.6502 -7.5388 -7.5388 -4.7072 -4.7072 0.2289 0.2289 1.2629 1.2629 1.4074 1.4074 5.1924 5.1924 5.2879 5.2879 5.6447 5.6447 6.1486 6.1486 6.8342 6.8342 7.5685 7.5685 11.5933 11.5933 13.2703 13.2703 14.1051 14.1051 14.5303 14.5303 k = 0.2264 0.5000 0.2264 ( 2388 PWs) bands (ev): -25.7902 -25.7902 -8.7072 -8.7072 -7.6521 -7.6521 -7.5339 -7.5339 -4.7138 -4.7138 0.2003 0.2003 1.3195 1.3195 1.4596 1.4596 5.1105 5.1105 5.3409 5.3409 5.6860 5.6860 6.0469 6.0469 6.9021 6.9021 7.5493 7.5493 11.4245 11.4245 13.2027 13.2027 14.0747 14.0747 14.4369 14.4369 k = 0.2170 0.5000 0.2170 ( 2372 PWs) bands (ev): -25.7906 -25.7906 -8.7064 -8.7064 -7.6541 -7.6541 -7.5289 -7.5289 -4.7197 -4.7197 0.1707 0.1707 1.3779 1.3779 1.5122 1.5122 5.0240 5.0240 5.3978 5.3978 5.7289 5.7289 5.9443 5.9443 6.9781 6.9781 7.5298 7.5298 11.2585 11.2585 13.1380 13.1380 14.0448 14.0448 14.3399 14.3399 k = 0.2075 0.5000 0.2075 ( 2380 PWs) bands (ev): -25.7911 -25.7911 -8.7057 -8.7057 -7.6560 -7.6560 -7.5239 -7.5239 -4.7252 -4.7252 0.1402 0.1402 1.4379 1.4379 1.5652 1.5652 4.9341 4.9341 5.4582 5.4582 5.7735 5.7735 5.8408 5.8408 7.0610 7.0610 7.5103 7.5103 11.0955 11.0955 13.0763 13.0763 14.0153 14.0153 14.2407 14.2407 k = 0.1981 0.5000 0.1981 ( 2376 PWs) bands (ev): -25.7915 -25.7915 -8.7050 -8.7050 -7.6579 -7.6579 -7.5189 -7.5189 -4.7301 -4.7301 0.1093 0.1093 1.4995 1.4995 1.6187 1.6187 4.8418 4.8418 5.5219 5.5219 5.7367 5.7367 5.8196 5.8196 7.1495 7.1495 7.4908 7.4908 10.9355 10.9355 13.0176 13.0176 13.9862 13.9862 14.1401 14.1401 k = 0.1887 0.5000 0.1887 ( 2376 PWs) bands (ev): -25.7919 -25.7919 -8.7043 -8.7043 -7.6598 -7.6598 -7.5140 -7.5140 -4.7346 -4.7346 0.0780 0.0780 1.5626 1.5626 1.6726 1.6726 4.7479 4.7479 5.5885 5.5885 5.6323 5.6323 5.8671 5.8671 7.2429 7.2429 7.4713 7.4713 10.7788 10.7788 12.9618 12.9618 13.9573 13.9573 14.0384 14.0384 k = 0.1792 0.5000 0.1792 ( 2388 PWs) bands (ev): -25.7923 -25.7923 -8.7037 -8.7037 -7.6616 -7.6616 -7.5091 -7.5091 -4.7386 -4.7386 0.0465 0.0465 1.6272 1.6272 1.7269 1.7269 4.6531 4.6531 5.5276 5.5276 5.6577 5.6577 5.9162 5.9162 7.3404 7.3404 7.4519 7.4519 10.6254 10.6254 12.9089 12.9089 13.9285 13.9285 13.9360 13.9360 k = 0.1698 0.5000 0.1698 ( 2388 PWs) bands (ev): -25.7927 -25.7927 -8.7032 -8.7032 -7.6633 -7.6633 -7.5043 -7.5043 -4.7421 -4.7421 0.0151 0.0151 1.6931 1.6931 1.7817 1.7817 4.5578 4.5578 5.4229 5.4229 5.7290 5.7290 5.9666 5.9666 7.4327 7.4327 7.4412 7.4412 10.4755 10.4755 12.8589 12.8589 13.8328 13.8328 13.9001 13.9001 k = 0.1604 0.5000 0.1604 ( 2388 PWs) bands (ev): -25.7931 -25.7931 -8.7027 -8.7027 -7.6650 -7.6650 -7.4995 -7.4995 -4.7451 -4.7451 -0.0159 -0.0159 1.7602 1.7602 1.8370 1.8370 4.4625 4.4625 5.3185 5.3185 5.8020 5.8020 6.0182 6.0182 7.4137 7.4137 7.5446 7.5446 10.3293 10.3293 12.8118 12.8118 13.7292 13.7292 13.8715 13.8715 k = 0.1509 0.5000 0.1509 ( 2378 PWs) bands (ev): -25.7934 -25.7934 -8.7022 -8.7022 -7.6667 -7.6667 -7.4949 -7.4949 -4.7478 -4.7478 -0.0464 -0.0464 1.8285 1.8285 1.8928 1.8928 4.3675 4.3675 5.2144 5.2144 5.8763 5.8763 6.0710 6.0710 7.3950 7.3950 7.6501 7.6501 10.1871 10.1871 12.7675 12.7675 13.6254 13.6254 13.8427 13.8427 k = 0.1415 0.5000 0.1415 ( 2374 PWs) bands (ev): -25.7938 -25.7938 -8.7018 -8.7018 -7.6682 -7.6682 -7.4904 -7.4904 -4.7500 -4.7500 -0.0762 -0.0762 1.8978 1.8978 1.9492 1.9492 4.2730 4.2730 5.1111 5.1111 5.9513 5.9513 6.1248 6.1248 7.3765 7.3765 7.7570 7.7570 10.0489 10.0489 12.7261 12.7261 13.5214 13.5214 13.8136 13.8136 k = 0.1321 0.5000 0.1321 ( 2378 PWs) bands (ev): -25.7941 -25.7941 -8.7015 -8.7015 -7.6697 -7.6697 -7.4861 -7.4861 -4.7519 -4.7519 -0.1050 -0.1050 1.9680 1.9680 2.0061 2.0061 4.1794 4.1794 5.0086 5.0086 6.0265 6.0265 6.1794 6.1794 7.3584 7.3584 7.8645 7.8645 9.9152 9.9152 12.6874 12.6874 13.4178 13.4178 13.7838 13.7838 k = 0.1226 0.5000 0.1226 ( 2382 PWs) bands (ev): -25.7944 -25.7944 -8.7012 -8.7012 -7.6710 -7.6710 -7.4820 -7.4820 -4.7535 -4.7535 -0.1327 -0.1327 2.0388 2.0388 2.0636 2.0636 4.0869 4.0869 4.9074 4.9074 6.1014 6.1014 6.2345 6.2345 7.3405 7.3405 7.9721 7.9721 9.7862 9.7862 12.6515 12.6515 13.3147 13.3147 13.7531 13.7531 k = 0.1132 0.5000 0.1132 ( 2382 PWs) bands (ev): -25.7947 -25.7947 -8.7009 -8.7009 -7.6723 -7.6723 -7.4781 -7.4781 -4.7548 -4.7548 -0.1592 -0.1592 2.1100 2.1100 2.1217 2.1217 3.9956 3.9956 4.8077 4.8077 6.1754 6.1754 6.2898 6.2898 7.3230 7.3230 8.0788 8.0788 9.6623 9.6623 12.6183 12.6183 13.2128 13.2128 13.7211 13.7211 k = 0.1038 0.5000 0.1038 ( 2370 PWs) bands (ev): -25.7950 -25.7950 -8.7007 -8.7007 -7.6735 -7.6735 -7.4744 -7.4744 -4.7559 -4.7559 -0.1841 -0.1841 2.1803 2.1803 2.1812 2.1812 3.9058 3.9058 4.7100 4.7100 6.2479 6.2479 6.3451 6.3451 7.3058 7.3058 8.1840 8.1840 9.5438 9.5438 12.5879 12.5879 13.1126 13.1126 13.6874 13.6874 k = 0.0943 0.5000 0.0943 ( 2370 PWs) bands (ev): -25.7952 -25.7952 -8.7005 -8.7005 -7.6746 -7.6746 -7.4709 -7.4709 -4.7567 -4.7567 -0.2074 -0.2074 2.2396 2.2396 2.2522 2.2522 3.8176 3.8176 4.6147 4.6147 6.3182 6.3182 6.3998 6.3998 7.2889 7.2889 8.2865 8.2865 9.4313 9.4313 12.5601 12.5601 13.0149 13.0149 13.6518 13.6518 k = 0.0849 0.5000 0.0849 ( 2372 PWs) bands (ev): -25.7955 -25.7955 -8.7004 -8.7004 -7.6756 -7.6756 -7.4677 -7.4677 -4.7573 -4.7573 -0.2289 -0.2289 2.2993 2.2993 2.3223 2.3223 3.7313 3.7313 4.5223 4.5223 6.3856 6.3856 6.4535 6.4535 7.2723 7.2723 8.3854 8.3854 9.3253 9.3253 12.5351 12.5351 12.9206 12.9206 13.6142 13.6142 k = 0.0755 0.5000 0.0755 ( 2372 PWs) bands (ev): -25.7957 -25.7957 -8.7002 -8.7002 -7.6765 -7.6765 -7.4648 -7.4648 -4.7578 -4.7578 -0.2485 -0.2485 2.3593 2.3593 2.3910 2.3910 3.6471 3.6471 4.4335 4.4335 6.4495 6.4495 6.5057 6.5057 7.2560 7.2560 8.4795 8.4795 9.2265 9.2265 12.5127 12.5127 12.8307 12.8307 13.5748 13.5748 k = 0.0660 0.5000 0.0660 ( 2372 PWs) bands (ev): -25.7959 -25.7959 -8.7001 -8.7001 -7.6772 -7.6772 -7.4622 -7.4622 -4.7582 -4.7582 -0.2661 -0.2661 2.4194 2.4194 2.4574 2.4574 3.5654 3.5654 4.3493 4.3493 6.5090 6.5090 6.5555 6.5555 7.2402 7.2402 8.5676 8.5676 9.1357 9.1357 12.4930 12.4930 12.7464 12.7464 13.5347 13.5347 k = 0.0566 0.5000 0.0566 ( 2380 PWs) bands (ev): -25.7960 -25.7960 -8.7001 -8.7001 -7.6779 -7.6779 -7.4599 -7.4599 -4.7585 -4.7585 -0.2816 -0.2816 2.4793 2.4793 2.5206 2.5206 3.4866 3.4866 4.2706 4.2706 6.5634 6.5634 6.6022 6.6022 7.2249 7.2249 8.6482 8.6482 9.0539 9.0539 12.4760 12.4760 12.6691 12.6691 13.4949 13.4949 k = 0.0472 0.5000 0.0472 ( 2376 PWs) bands (ev): -25.7962 -25.7962 -8.7000 -8.7000 -7.6785 -7.6785 -7.4579 -7.4579 -4.7586 -4.7586 -0.2948 -0.2948 2.5383 2.5383 2.5791 2.5791 3.4115 3.4115 4.1988 4.1988 6.6117 6.6117 6.6448 6.6448 7.2104 7.2104 8.7199 8.7199 8.9819 8.9819 12.4615 12.4615 12.6002 12.6002 13.4574 13.4574 k = 0.0377 0.5000 0.0377 ( 2376 PWs) bands (ev): -25.7963 -25.7963 -8.6999 -8.6999 -7.6790 -7.6790 -7.4563 -7.4563 -4.7588 -4.7588 -0.3058 -0.3058 2.5952 2.5952 2.6314 2.6314 3.3413 3.3413 4.1357 4.1357 6.6530 6.6530 6.6825 6.6825 7.1969 7.1969 8.7813 8.7813 8.9209 8.9209 12.4497 12.4497 12.5412 12.5412 13.4237 13.4237 k = 0.0283 0.5000 0.0283 ( 2380 PWs) bands (ev): -25.7964 -25.7964 -8.6999 -8.6999 -7.6793 -7.6793 -7.4550 -7.4550 -4.7588 -4.7588 -0.3144 -0.3144 2.6481 2.6481 2.6754 2.6754 3.2780 3.2780 4.0832 4.0832 6.6863 6.6863 6.7139 6.7139 7.1852 7.1852 8.8308 8.8308 8.8719 8.8719 12.4403 12.4403 12.4935 12.4935 13.3957 13.3957 k = 0.0189 0.5000 0.0189 ( 2388 PWs) bands (ev): -25.7964 -25.7964 -8.6999 -8.6999 -7.6796 -7.6796 -7.4541 -7.4541 -4.7589 -4.7589 -0.3205 -0.3205 2.6935 2.6935 2.7091 2.7091 3.2251 3.2251 4.0435 4.0435 6.7107 6.7107 6.7377 6.7377 7.1759 7.1759 8.8361 8.8361 8.8673 8.8673 12.4333 12.4333 12.4588 12.4588 13.3746 13.3746 k = 0.0094 0.5000 0.0094 ( 2392 PWs) bands (ev): -25.7965 -25.7965 -8.6999 -8.6999 -7.6797 -7.6797 -7.4535 -7.4535 -4.7589 -4.7589 -0.3242 -0.3242 2.7257 2.7257 2.7303 2.7303 3.1885 3.1885 4.0186 4.0186 6.7257 6.7257 6.7527 6.7527 7.1698 7.1698 8.8142 8.8142 8.8896 8.8896 12.4277 12.4277 12.4389 12.4389 13.3615 13.3615 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7965 -25.7965 -8.6999 -8.6999 -7.6798 -7.6798 -7.4533 -7.4533 -4.7589 -4.7589 -0.3255 -0.3255 2.7376 2.7376 2.7376 2.7376 3.1751 3.1751 4.0101 4.0101 6.7307 6.7307 6.7579 6.7579 7.1677 7.1677 8.8068 8.8068 8.8972 8.8972 12.4242 12.4242 12.4338 12.4338 13.3571 13.3571 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -25.7891 -25.7891 -8.7145 -8.7145 -7.6808 -7.6808 -7.5012 -7.5012 -4.7586 -4.7586 0.5113 0.5113 0.5621 0.5621 3.3190 3.3190 3.5042 3.5042 4.2197 4.2197 6.2054 6.2054 6.2063 6.2063 7.4624 7.4624 7.4636 7.4636 12.2073 12.2073 12.2522 12.2522 14.1512 14.1512 14.1792 14.1792 k = 0.5000 0.5000 0.0132 ( 2388 PWs) bands (ev): -25.7891 -25.7891 -8.7145 -8.7145 -7.6807 -7.6807 -7.5014 -7.5014 -4.7582 -4.7582 0.5113 0.5113 0.5619 0.5619 3.2497 3.2497 3.5753 3.5753 4.2211 4.2211 6.2020 6.2020 6.2032 6.2032 7.4642 7.4642 7.4654 7.4654 12.2118 12.2118 12.2566 12.2566 14.1516 14.1516 14.1809 14.1809 k = 0.5000 0.5000 0.0263 ( 2388 PWs) bands (ev): -25.7890 -25.7890 -8.7145 -8.7145 -7.6804 -7.6804 -7.5021 -7.5021 -4.7569 -4.7569 0.5111 0.5111 0.5614 0.5614 3.1320 3.1320 3.6985 3.6985 4.2253 4.2253 6.1922 6.1922 6.1938 6.1938 7.4696 7.4696 7.4707 7.4707 12.2253 12.2253 12.2698 12.2698 14.1529 14.1529 14.1861 14.1861 k = 0.5000 0.5000 0.0395 ( 2388 PWs) bands (ev): -25.7890 -25.7890 -8.7146 -8.7146 -7.6799 -7.6799 -7.5032 -7.5032 -4.7548 -4.7548 0.5107 0.5107 0.5607 0.5607 3.0079 3.0079 3.8315 3.8315 4.2322 4.2322 6.1762 6.1762 6.1785 6.1785 7.4782 7.4782 7.4793 7.4793 12.2477 12.2477 12.2918 12.2918 14.1550 14.1550 14.1948 14.1948 k = 0.5000 0.5000 0.0526 ( 2388 PWs) bands (ev): -25.7889 -25.7889 -8.7147 -8.7147 -7.6791 -7.6791 -7.5047 -7.5047 -4.7520 -4.7520 0.5101 0.5101 0.5596 0.5596 2.8835 2.8835 3.9685 3.9685 4.2419 4.2419 6.1544 6.1544 6.1576 6.1576 7.4897 7.4897 7.4908 7.4908 12.2790 12.2790 12.3224 12.3224 14.1579 14.1579 14.2069 14.2069 k = 0.5000 0.5000 0.0658 ( 2388 PWs) bands (ev): -25.7888 -25.7888 -8.7148 -8.7148 -7.6782 -7.6782 -7.5067 -7.5067 -4.7483 -4.7483 0.5095 0.5095 0.5582 0.5582 2.7603 2.7603 4.1079 4.1079 4.2542 4.2542 6.1273 6.1273 6.1318 6.1318 7.5037 7.5037 7.5047 7.5047 12.3189 12.3189 12.3616 12.3616 14.1615 14.1615 14.2224 14.2224 k = 0.5000 0.5000 0.0789 ( 2388 PWs) bands (ev): -25.7886 -25.7886 -8.7149 -8.7149 -7.6771 -7.6771 -7.5090 -7.5090 -4.7438 -4.7438 0.5086 0.5086 0.5565 0.5565 2.6388 2.6388 4.2491 4.2491 4.2692 4.2692 6.0957 6.0957 6.1016 6.1016 7.5196 7.5196 7.5207 7.5207 12.3674 12.3674 12.4092 12.4092 14.1660 14.1660 14.2414 14.2414 k = 0.5000 0.5000 0.0921 ( 2388 PWs) bands (ev): -25.7885 -25.7885 -8.7150 -8.7150 -7.6758 -7.6758 -7.5117 -7.5117 -4.7386 -4.7386 0.5077 0.5077 0.5545 0.5545 2.5194 2.5194 4.2867 4.2867 4.3917 4.3917 6.0601 6.0601 6.0677 6.0677 7.5370 7.5370 7.5381 7.5381 12.4243 12.4243 12.4650 12.4650 14.1711 14.1711 14.2638 14.2638 k = 0.5000 0.5000 0.1053 ( 2380 PWs) bands (ev): -25.7883 -25.7883 -8.7152 -8.7152 -7.6743 -7.6743 -7.5148 -7.5148 -4.7326 -4.7326 0.5066 0.5066 0.5523 0.5523 2.4022 2.4022 4.3066 4.3066 4.5355 4.5355 6.0213 6.0213 6.0306 6.0306 7.5554 7.5554 7.5565 7.5565 12.4892 12.4892 12.5288 12.5288 14.1770 14.1770 14.2895 14.2895 k = 0.5000 0.5000 0.1184 ( 2380 PWs) bands (ev): -25.7881 -25.7881 -8.7154 -8.7154 -7.6727 -7.6727 -7.5182 -7.5182 -4.7259 -4.7259 0.5053 0.5053 0.5498 0.5498 2.2874 2.2874 4.3288 4.3288 4.6802 4.6802 5.9798 5.9798 5.9910 5.9910 7.5743 7.5743 7.5755 7.5755 12.5620 12.5620 12.6004 12.6004 14.1835 14.1835 14.3185 14.3185 k = 0.5000 0.5000 0.1316 ( 2380 PWs) bands (ev): -25.7879 -25.7879 -8.7157 -8.7157 -7.6709 -7.6709 -7.5219 -7.5219 -4.7186 -4.7186 0.5039 0.5039 0.5470 0.5470 2.1751 2.1751 4.3532 4.3532 4.8258 4.8258 5.9362 5.9362 5.9495 5.9495 7.5935 7.5935 7.5947 7.5947 12.6424 12.6424 12.6794 12.6794 14.1906 14.1906 14.3507 14.3507 k = 0.5000 0.5000 0.1447 ( 2380 PWs) bands (ev): -25.7877 -25.7877 -8.7159 -8.7159 -7.6689 -7.6689 -7.5259 -7.5259 -4.7106 -4.7106 0.5025 0.5025 0.5440 0.5440 2.0655 2.0655 4.3796 4.3796 4.9719 4.9719 5.8911 5.8911 5.9065 5.9065 7.6125 7.6125 7.6139 7.6139 12.7300 12.7300 12.7657 12.7657 14.1982 14.1982 14.3862 14.3862 k = 0.5000 0.5000 0.1579 ( 2380 PWs) bands (ev): -25.7875 -25.7875 -8.7163 -8.7163 -7.6669 -7.6669 -7.5301 -7.5301 -4.7020 -4.7020 0.5008 0.5008 0.5407 0.5407 1.9586 1.9586 4.4080 4.4080 5.1184 5.1184 5.8449 5.8449 5.8625 5.8625 7.6312 7.6312 7.6327 7.6327 12.8245 12.8245 12.8588 12.8588 14.2063 14.2063 14.4247 14.4247 k = 0.5000 0.5000 0.1711 ( 2368 PWs) bands (ev): -25.7872 -25.7872 -8.7166 -8.7166 -7.6647 -7.6647 -7.5345 -7.5345 -4.6929 -4.6929 0.4992 0.4992 0.5373 0.5373 1.8545 1.8545 4.4380 4.4380 5.2651 5.2651 5.7980 5.7980 5.8180 5.8180 7.6493 7.6493 7.6510 7.6510 12.9256 12.9256 12.9584 12.9584 14.2147 14.2147 14.4664 14.4664 k = 0.5000 0.5000 0.1842 ( 2368 PWs) bands (ev): -25.7869 -25.7869 -8.7170 -8.7170 -7.6624 -7.6624 -7.5391 -7.5391 -4.6833 -4.6833 0.4973 0.4973 0.5337 0.5337 1.7534 1.7534 4.4697 4.4697 5.4117 5.4117 5.7509 5.7509 5.7733 5.7733 7.6668 7.6668 7.6686 7.6686 13.0329 13.0329 13.0643 13.0643 14.2234 14.2234 14.5109 14.5109 k = 0.5000 0.5000 0.1974 ( 2368 PWs) bands (ev): -25.7866 -25.7866 -8.7174 -8.7174 -7.6600 -7.6600 -7.5438 -7.5438 -4.6732 -4.6732 0.4955 0.4955 0.5299 0.5299 1.6553 1.6553 4.5026 4.5026 5.5580 5.5580 5.7039 5.7039 5.7287 5.7287 7.6834 7.6834 7.6853 7.6853 13.1460 13.1460 13.1759 13.1759 14.2322 14.2322 14.5583 14.5583 k = 0.5000 0.5000 0.2105 ( 2368 PWs) bands (ev): -25.7864 -25.7864 -8.7178 -8.7178 -7.6575 -7.6575 -7.5486 -7.5486 -4.6627 -4.6627 0.4935 0.4935 0.5259 0.5259 1.5604 1.5604 4.5368 4.5368 5.6574 5.6574 5.6846 5.6846 5.7037 5.7037 7.6992 7.6992 7.7012 7.7012 13.2644 13.2644 13.2929 13.2929 14.2412 14.2412 14.6084 14.6084 k = 0.5000 0.5000 0.2237 ( 2376 PWs) bands (ev): -25.7861 -25.7861 -8.7183 -8.7183 -7.6550 -7.6550 -7.5534 -7.5534 -4.6520 -4.6520 0.4914 0.4914 0.5219 0.5219 1.4687 1.4687 4.5718 4.5718 5.6116 5.6116 5.6412 5.6412 5.8486 5.8486 7.7140 7.7140 7.7162 7.7162 13.3879 13.3879 13.4150 13.4150 14.2500 14.2500 14.6610 14.6610 k = 0.5000 0.5000 0.2368 ( 2368 PWs) bands (ev): -25.7858 -25.7858 -8.7188 -8.7188 -7.6525 -7.6525 -7.5583 -7.5583 -4.6409 -4.6409 0.4894 0.4894 0.5177 0.5177 1.3803 1.3803 4.6076 4.6076 5.5667 5.5667 5.5988 5.5988 5.9924 5.9924 7.7278 7.7278 7.7301 7.7301 13.5158 13.5158 13.5415 13.5415 14.2587 14.2587 14.7159 14.7159 k = 0.5000 0.5000 0.2500 ( 2356 PWs) bands (ev): -25.7855 -25.7855 -8.7193 -8.7193 -7.6499 -7.6499 -7.5632 -7.5632 -4.6297 -4.6297 0.4873 0.4873 0.5136 0.5136 1.2953 1.2953 4.6439 4.6439 5.5230 5.5230 5.5575 5.5575 6.1346 6.1346 7.7407 7.7407 7.7431 7.7431 13.6477 13.6477 13.6722 13.6722 14.2671 14.2671 14.7728 14.7728 k = 0.5000 0.5000 0.2632 ( 2372 PWs) bands (ev): -25.7852 -25.7852 -8.7199 -8.7199 -7.6473 -7.6473 -7.5680 -7.5680 -4.6184 -4.6184 0.4851 0.4851 0.5093 0.5093 1.2138 1.2138 4.6804 4.6804 5.4807 5.4807 5.5175 5.5175 6.2750 6.2750 7.7527 7.7527 7.7551 7.7551 13.7831 13.7831 13.8064 13.8064 14.2749 14.2749 14.8313 14.8313 k = 0.5000 0.5000 0.2763 ( 2372 PWs) bands (ev): -25.7849 -25.7849 -8.7205 -8.7205 -7.6448 -7.6448 -7.5727 -7.5727 -4.6070 -4.6070 0.4830 0.4830 0.5050 0.5050 1.1360 1.1360 4.7169 4.7169 5.4399 5.4399 5.4791 5.4791 6.4131 6.4131 7.7637 7.7637 7.7662 7.7662 13.9214 13.9214 13.9435 13.9435 14.2821 14.2821 14.8906 14.8906 k = 0.5000 0.5000 0.2895 ( 2372 PWs) bands (ev): -25.7846 -25.7846 -8.7210 -8.7210 -7.6422 -7.6422 -7.5774 -7.5774 -4.5957 -4.5957 0.4808 0.4808 0.5008 0.5008 1.0619 1.0619 4.7530 4.7530 5.4009 5.4009 5.4422 5.4422 6.5485 6.5485 7.7738 7.7738 7.7763 7.7763 14.0620 14.0620 14.0830 14.0830 14.2884 14.2884 14.9487 14.9487 k = 0.5000 0.5000 0.3026 ( 2368 PWs) bands (ev): -25.7843 -25.7843 -8.7217 -8.7217 -7.6397 -7.6397 -7.5818 -7.5818 -4.5845 -4.5845 0.4787 0.4787 0.4966 0.4966 0.9916 0.9916 4.7887 4.7887 5.3639 5.3639 5.4072 5.4072 6.6807 6.6807 7.7831 7.7831 7.7856 7.7856 14.2040 14.2040 14.2238 14.2238 14.2941 14.2941 14.9964 14.9964 k = 0.5000 0.5000 0.3158 ( 2368 PWs) bands (ev): -25.7840 -25.7840 -8.7223 -8.7223 -7.6373 -7.6373 -7.5862 -7.5862 -4.5735 -4.5735 0.4766 0.4766 0.4925 0.4925 0.9253 0.9253 4.8234 4.8234 5.3288 5.3288 5.3740 5.3740 6.8091 6.8091 7.7915 7.7915 7.7940 7.7940 14.2968 14.2968 14.3467 14.3467 14.3671 14.3671 14.9862 14.9862 k = 0.5000 0.5000 0.3289 ( 2368 PWs) bands (ev): -25.7838 -25.7838 -8.7229 -8.7229 -7.6350 -7.6350 -7.5903 -7.5903 -4.5628 -4.5628 0.4746 0.4746 0.4886 0.4886 0.8630 0.8630 4.8571 4.8571 5.2960 5.2960 5.3428 5.3428 6.9333 6.9333 7.7991 7.7991 7.8015 7.8015 14.2998 14.2998 14.4891 14.4891 14.5086 14.5086 14.9156 14.9156 k = 0.5000 0.5000 0.3421 ( 2376 PWs) bands (ev): -25.7835 -25.7835 -8.7235 -8.7235 -7.6328 -7.6328 -7.5942 -7.5942 -4.5524 -4.5524 0.4726 0.4726 0.4847 0.4847 0.8048 0.8048 4.8893 4.8893 5.2654 5.2654 5.3136 5.3136 7.0525 7.0525 7.8060 7.8060 7.8084 7.8084 14.3010 14.3010 14.6299 14.6299 14.6493 14.6493 14.8369 14.8369 k = 0.5000 0.5000 0.3553 ( 2368 PWs) bands (ev): -25.7833 -25.7833 -8.7241 -8.7241 -7.6306 -7.6306 -7.5979 -7.5979 -4.5425 -4.5425 0.4707 0.4707 0.4811 0.4811 0.7508 0.7508 4.9197 4.9197 5.2374 5.2374 5.2865 5.2865 7.1661 7.1661 7.8122 7.8122 7.8144 7.8144 14.3005 14.3005 14.7587 14.7587 14.7700 14.7700 14.7873 14.7873 k = 0.5000 0.5000 0.3684 ( 2372 PWs) bands (ev): -25.7830 -25.7830 -8.7246 -8.7246 -7.6287 -7.6287 -7.6013 -7.6013 -4.5332 -4.5332 0.4689 0.4689 0.4776 0.4776 0.7012 0.7012 4.9481 4.9481 5.2120 5.2120 5.2617 5.2617 7.2735 7.2735 7.8176 7.8176 7.8199 7.8199 14.2983 14.2983 14.6896 14.6896 14.9012 14.9012 14.9212 14.9212 k = 0.5000 0.5000 0.3816 ( 2372 PWs) bands (ev): -25.7828 -25.7828 -8.7252 -8.7252 -7.6268 -7.6268 -7.6045 -7.6045 -4.5244 -4.5244 0.4673 0.4673 0.4744 0.4744 0.6560 0.6560 4.9739 4.9739 5.1895 5.1895 5.2390 5.2390 7.3738 7.3738 7.8225 7.8225 7.8246 7.8246 14.2944 14.2944 14.6242 14.6242 15.0276 15.0276 15.0487 15.0487 k = 0.5000 0.5000 0.3947 ( 2372 PWs) bands (ev): -25.7826 -25.7826 -8.7257 -8.7257 -7.6251 -7.6251 -7.6073 -7.6073 -4.5163 -4.5163 0.4657 0.4657 0.4714 0.4714 0.6152 0.6152 4.9966 4.9966 5.1703 5.1703 5.2187 5.2187 7.4664 7.4664 7.8267 7.8267 7.8288 7.8288 14.2891 14.2891 14.5648 14.5648 15.1449 15.1449 15.1676 15.1676 k = 0.5000 0.5000 0.4079 ( 2372 PWs) bands (ev): -25.7825 -25.7825 -8.7261 -8.7261 -7.6236 -7.6236 -7.6099 -7.6099 -4.5090 -4.5090 0.4644 0.4644 0.4688 0.4688 0.5791 0.5791 5.0157 5.0157 5.1548 5.1548 5.2007 5.2007 7.5505 7.5505 7.8303 7.8303 7.8323 7.8323 14.2825 14.2825 14.5119 14.5119 15.2505 15.2505 15.2754 15.2754 k = 0.5000 0.5000 0.4211 ( 2372 PWs) bands (ev): -25.7823 -25.7823 -8.7266 -8.7266 -7.6223 -7.6223 -7.6121 -7.6121 -4.5026 -4.5026 0.4631 0.4631 0.4664 0.4664 0.5476 0.5476 5.0304 5.0304 5.1435 5.1435 5.1850 5.1850 7.6252 7.6252 7.8334 7.8334 7.8354 7.8354 14.2751 14.2751 14.4656 14.4656 15.3421 15.3421 15.3694 15.3694 k = 0.5000 0.5000 0.4342 ( 2372 PWs) bands (ev): -25.7822 -25.7822 -8.7269 -8.7269 -7.6211 -7.6211 -7.6140 -7.6140 -4.4970 -4.4970 0.4621 0.4621 0.4644 0.4644 0.5209 0.5209 5.0400 5.0400 5.1371 5.1371 5.1717 5.1717 7.6900 7.6900 7.8360 7.8360 7.8379 7.8379 14.2673 14.2673 14.4261 14.4261 15.4183 15.4183 15.4476 15.4476 k = 0.5000 0.5000 0.4474 ( 2372 PWs) bands (ev): -25.7821 -25.7821 -8.7272 -8.7272 -7.6202 -7.6202 -7.6156 -7.6156 -4.4923 -4.4923 0.4612 0.4612 0.4627 0.4627 0.4989 0.4989 5.0447 5.0447 5.1352 5.1352 5.1607 5.1607 7.7440 7.7440 7.8381 7.8381 7.8399 7.8399 14.2598 14.2598 14.3935 14.3935 15.4786 15.4786 15.5088 15.5088 k = 0.5000 0.5000 0.4605 ( 2356 PWs) bands (ev): -25.7820 -25.7820 -8.7275 -8.7275 -7.6194 -7.6194 -7.6168 -7.6168 -4.4887 -4.4887 0.4605 0.4605 0.4614 0.4614 0.4818 0.4818 5.0459 5.0459 5.1363 5.1363 5.1522 5.1522 7.7867 7.7867 7.8397 7.8397 7.8415 7.8415 14.2532 14.2532 14.3681 14.3681 15.5237 15.5237 15.5516 15.5516 k = 0.5000 0.5000 0.4737 ( 2348 PWs) bands (ev): -25.7819 -25.7819 -8.7276 -8.7276 -7.6189 -7.6189 -7.6177 -7.6177 -4.4860 -4.4860 0.4601 0.4601 0.4604 0.4604 0.4695 0.4695 5.0453 5.0453 5.1386 5.1386 5.1462 5.1462 7.8176 7.8176 7.8408 7.8408 7.8426 7.8426 14.2479 14.2479 14.3499 14.3499 15.5547 15.5547 15.5739 15.5739 k = 0.5000 0.5000 0.4868 ( 2332 PWs) bands (ev): -25.7819 -25.7819 -8.7277 -8.7277 -7.6185 -7.6185 -7.6183 -7.6183 -4.4844 -4.4844 0.4598 0.4598 0.4599 0.4599 0.4621 0.4621 5.0444 5.0444 5.1406 5.1406 5.1425 5.1425 7.8361 7.8361 7.8415 7.8415 7.8434 7.8434 14.2446 14.2446 14.3389 14.3389 15.5728 15.5728 15.5789 15.5789 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -25.7819 -25.7819 -8.7278 -8.7278 -7.6184 -7.6184 -7.6184 -7.6184 -4.4838 -4.4838 0.4597 0.4597 0.4597 0.4597 0.4597 0.4597 5.0440 5.0440 5.1413 5.1413 5.1413 5.1413 7.8417 7.8417 7.8417 7.8417 7.8443 7.8443 14.2434 14.2434 14.3353 14.3353 15.5787 15.5787 15.5787 15.5787 Writing output data file SrB6.save init_run : 4.48s CPU 13.35s WALL ( 1 calls) electrons : 248.43s CPU 252.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.54s CPU 1.33s WALL ( 1 calls) Called by electrons: c_bands : 248.41s CPU 252.29s WALL ( 1 calls) v_of_rho : 0.26s CPU 0.86s WALL ( 1 calls) v_h : 0.06s CPU 0.06s WALL ( 1 calls) v_xc : 0.19s CPU 0.53s WALL ( 1 calls) newd : 0.24s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 291 calls) cegterg : 228.90s CPU 230.78s WALL ( 717 calls) Called by sum_band: Called by *egterg: h_psi : 100.42s CPU 106.13s WALL ( 12589 calls) s_psi : 9.30s CPU 10.01s WALL ( 12589 calls) g_psi : 0.17s CPU 0.25s WALL ( 11581 calls) cdiaghg : 91.43s CPU 89.08s WALL ( 11872 calls) cegterg:over : 18.53s CPU 15.90s WALL ( 11581 calls) cegterg:upda : 1.46s CPU 3.60s WALL ( 11581 calls) cegterg:last : 1.75s CPU 2.31s WALL ( 1629 calls) Called by h_psi: h_psi:vloc : 75.69s CPU 81.15s WALL ( 12589 calls) h_psi:vnl : 24.63s CPU 24.71s WALL ( 12589 calls) add_vuspsi : 5.69s CPU 8.46s WALL ( 12589 calls) General routines calbec : 18.92s CPU 16.15s WALL ( 12589 calls) fft : 0.35s CPU 1.20s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 72.15s CPU 77.24s WALL ( 743244 calls) interpolate : 0.12s CPU 0.13s WALL ( 4 calls) davcio : 0.01s CPU 0.45s WALL ( 582 calls) Parallel routines fft_scatter : 49.02s CPU 53.94s WALL ( 743267 calls) PWSCF : 4m40.33s CPU 5m39.90s WALL This run was terminated on: 16:35:30 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=