Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./WO3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 24 7 1191 540 91 Max 42 25 9 1194 559 94 Sum 1481 885 277 42931 19837 3287 bravais-lattice index = 14 lattice parameter (alat) = 7.0468 a.u. unit-cell volume = 349.9239 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.046788 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 O 6.00 15.99940 O( 1.00) W 14.00 183.84000 W( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0030488 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0030488 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0030488 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0030488 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0030488 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0030488 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0030488 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0030488 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0030488 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0030488 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0030488 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0030488 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0030488 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0030488 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0030488 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0030488 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0030488 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0030488 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0030488 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0030488 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0030488 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0030488 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0030488 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0030488 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0030488 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0030488 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0030488 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0030488 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0030488 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0030488 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0030488 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0030488 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0030488 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0030488 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0030488 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0030488 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0030488 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0030488 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0030488 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0030488 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0030488 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0030488 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0030488 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0030488 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0030488 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0030488 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0030488 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0030488 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0030488 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0030488 k( 91) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0030488 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0030488 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0030488 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0030488 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030488 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0030488 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0030488 k( 98) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0030488 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030488 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0030488 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030488 k( 102) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0030488 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0030488 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0030488 k( 105) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030488 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030488 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030488 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0030488 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030488 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030488 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0030488 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0030488 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030488 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030488 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030488 k( 116) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0030488 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030488 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0030488 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030488 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0030488 k( 121) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030488 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0030488 k( 123) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0030488 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0030488 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030488 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0030488 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0030488 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0030488 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030488 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030488 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030488 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0030488 k( 133) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030488 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0030488 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0030488 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0030488 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030488 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0030488 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030488 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0030488 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030488 k( 142) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0030488 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030488 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0030488 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0030488 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030488 k( 147) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0030488 k( 148) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 151) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030488 k( 152) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030488 k( 153) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030488 k( 154) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030488 k( 155) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030488 k( 156) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030488 k( 157) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030488 k( 158) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030488 k( 159) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030488 k( 160) = ( 0.0684932 0.0684932 0.0684931), wk = 0.0030488 k( 161) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030488 k( 162) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030488 k( 163) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030488 k( 164) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030488 k( 165) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030488 k( 166) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030488 k( 167) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030488 k( 168) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030488 k( 169) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030488 k( 170) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030488 k( 171) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030488 k( 172) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030488 k( 173) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030488 k( 174) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030488 k( 175) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030488 k( 176) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030488 k( 177) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030488 k( 178) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030488 k( 179) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030488 k( 180) = ( 0.2054795 0.2054794 0.2054794), wk = 0.0030488 k( 181) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030488 k( 182) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030488 k( 183) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030488 k( 184) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030488 k( 185) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030488 k( 186) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030488 k( 187) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030488 k( 188) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030488 k( 189) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030488 k( 190) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030488 k( 191) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030488 k( 192) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030488 k( 193) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030488 k( 194) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030488 k( 195) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030488 k( 196) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030488 k( 197) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030488 k( 198) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030488 k( 199) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030488 k( 200) = ( 0.3424658 0.3424657 0.3424657), wk = 0.0030488 k( 201) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030488 k( 202) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030488 k( 203) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030488 k( 204) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030488 k( 205) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030488 k( 206) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030488 k( 207) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030488 k( 208) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030488 k( 209) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030488 k( 210) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030488 k( 211) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030488 k( 212) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030488 k( 213) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030488 k( 214) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030488 k( 215) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030488 k( 216) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030488 k( 217) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030488 k( 218) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030488 k( 219) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030488 k( 220) = ( 0.4794521 0.4794520 0.4794520), wk = 0.0030488 k( 221) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030488 k( 222) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030488 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 225) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030488 k( 226) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030488 k( 227) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030488 k( 228) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030488 k( 229) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030488 k( 230) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030488 k( 231) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030488 k( 232) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030488 k( 233) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030488 k( 234) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030488 k( 235) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030488 k( 236) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030488 k( 237) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030488 k( 238) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030488 k( 239) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030488 k( 240) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030488 k( 241) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030488 k( 242) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030488 k( 243) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030488 k( 244) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030488 k( 245) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030488 k( 246) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030488 k( 247) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030488 k( 248) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030488 k( 249) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030488 k( 250) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030488 k( 251) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030488 k( 252) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030488 k( 253) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030488 k( 254) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030488 k( 255) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030488 k( 256) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030488 k( 257) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030488 k( 258) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030488 k( 259) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030488 k( 260) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030488 k( 261) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030488 k( 262) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030488 k( 263) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030488 k( 264) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030488 k( 265) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030488 k( 266) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030488 k( 267) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030488 k( 268) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030488 k( 269) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030488 k( 270) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030488 k( 271) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030488 k( 272) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030488 k( 273) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030488 k( 274) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030488 k( 275) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030488 k( 276) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030488 k( 277) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030488 k( 278) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030488 k( 279) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030488 k( 280) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030488 k( 281) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030488 k( 282) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030488 k( 283) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 285) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 286) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030488 k( 287) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030488 k( 288) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030488 k( 289) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030488 k( 290) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030488 k( 291) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030488 k( 292) = ( 0.5000000 0.5000000 0.0813953), wk = 0.0030488 k( 293) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030488 k( 294) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030488 k( 295) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030488 k( 296) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030488 k( 297) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030488 k( 298) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030488 k( 299) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030488 k( 300) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030488 k( 301) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030488 k( 302) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.2558139), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.4186046), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0232558 0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0348837 0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0465116 0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0697674 0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.0813954 0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.0930233 0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1395349 0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.1627907 0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.1860465 0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.2441860 0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.2790698 0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.3255814 0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.3604651 0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.3720930 0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.3837209 0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0030488 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0030488 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0030488 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0030488 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0030488 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0030488 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0030488 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 46) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0030488 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0030488 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0030488 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0030488 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0030488 k( 51) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0030488 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0030488 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0030488 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0030488 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0030488 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0030488 k( 57) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0030488 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0030488 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0030488 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0030488 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0030488 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0030488 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0030488 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0030488 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0030488 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0030488 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0030488 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0030488 k( 69) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0030488 k( 70) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0030488 k( 71) = ( 0.3023256 0.5000000 0.0000000), wk = 0.0030488 k( 72) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0030488 k( 73) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0030488 k( 74) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0030488 k( 75) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0030488 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0030488 k( 77) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0030488 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0030488 k( 79) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0030488 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0030488 k( 81) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0030488 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0030488 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0030488 k( 84) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0030488 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0030488 k( 86) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0030488 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0030488 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 90) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0030488 k( 91) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0030488 k( 92) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0030488 k( 93) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0030488 k( 94) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0030488 k( 95) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0030488 k( 96) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0030488 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0030488 k( 98) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0030488 k( 99) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0030488 k( 100) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0030488 k( 101) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0030488 k( 102) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0030488 k( 103) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0030488 k( 104) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0030488 k( 105) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0030488 k( 106) = ( 0.3583333 0.3583333 0.0000000), wk = 0.0030488 k( 107) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0030488 k( 108) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0030488 k( 109) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030488 k( 110) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0030488 k( 111) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0030488 k( 112) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0030488 k( 113) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030488 k( 114) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0030488 k( 115) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0030488 k( 116) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0030488 k( 117) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030488 k( 118) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0030488 k( 119) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030488 k( 120) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0030488 k( 121) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0030488 k( 122) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0030488 k( 123) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0030488 k( 124) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0030488 k( 125) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030488 k( 126) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0030488 k( 127) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0030488 k( 128) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0030488 k( 129) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030488 k( 130) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0030488 k( 131) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030488 k( 132) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0030488 k( 133) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030488 k( 134) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030488 k( 135) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0030488 k( 136) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0030488 k( 137) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0030488 k( 138) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0030488 k( 139) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0030488 k( 140) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0030488 k( 141) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030488 k( 142) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0030488 k( 143) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0030488 k( 144) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0030488 k( 145) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030488 k( 146) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0030488 k( 147) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0030488 k( 148) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 151) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030488 k( 152) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030488 k( 153) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030488 k( 154) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030488 k( 155) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030488 k( 156) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030488 k( 157) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030488 k( 158) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030488 k( 159) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030488 k( 160) = ( 0.0684932 0.0684932 0.0684932), wk = 0.0030488 k( 161) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030488 k( 162) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030488 k( 163) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030488 k( 164) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030488 k( 165) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030488 k( 166) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030488 k( 167) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030488 k( 168) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030488 k( 169) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030488 k( 170) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030488 k( 171) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030488 k( 172) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030488 k( 173) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030488 k( 174) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030488 k( 175) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030488 k( 176) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030488 k( 177) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030488 k( 178) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030488 k( 179) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030488 k( 180) = ( 0.2054795 0.2054795 0.2054795), wk = 0.0030488 k( 181) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030488 k( 182) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030488 k( 183) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030488 k( 184) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030488 k( 185) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030488 k( 186) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030488 k( 187) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030488 k( 188) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030488 k( 189) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030488 k( 190) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030488 k( 191) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030488 k( 192) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030488 k( 193) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030488 k( 194) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030488 k( 195) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030488 k( 196) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030488 k( 197) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030488 k( 198) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030488 k( 199) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030488 k( 200) = ( 0.3424658 0.3424658 0.3424658), wk = 0.0030488 k( 201) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030488 k( 202) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030488 k( 203) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030488 k( 204) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030488 k( 205) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030488 k( 206) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030488 k( 207) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030488 k( 208) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030488 k( 209) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030488 k( 210) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030488 k( 211) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030488 k( 212) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030488 k( 213) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030488 k( 214) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030488 k( 215) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030488 k( 216) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030488 k( 217) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030488 k( 218) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030488 k( 219) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030488 k( 220) = ( 0.4794521 0.4794521 0.4794521), wk = 0.0030488 k( 221) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030488 k( 222) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030488 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 225) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030488 k( 226) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030488 k( 227) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030488 k( 228) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030488 k( 229) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030488 k( 230) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030488 k( 231) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030488 k( 232) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030488 k( 233) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030488 k( 234) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030488 k( 235) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030488 k( 236) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030488 k( 237) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030488 k( 238) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030488 k( 239) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030488 k( 240) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030488 k( 241) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030488 k( 242) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030488 k( 243) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030488 k( 244) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030488 k( 245) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030488 k( 246) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030488 k( 247) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030488 k( 248) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030488 k( 249) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030488 k( 250) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030488 k( 251) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030488 k( 252) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030488 k( 253) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030488 k( 254) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030488 k( 255) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030488 k( 256) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030488 k( 257) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030488 k( 258) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030488 k( 259) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030488 k( 260) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030488 k( 261) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030488 k( 262) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030488 k( 263) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030488 k( 264) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030488 k( 265) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030488 k( 266) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030488 k( 267) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030488 k( 268) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030488 k( 269) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030488 k( 270) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030488 k( 271) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030488 k( 272) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030488 k( 273) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030488 k( 274) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030488 k( 275) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030488 k( 276) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030488 k( 277) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030488 k( 278) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030488 k( 279) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030488 k( 280) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030488 k( 281) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030488 k( 282) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030488 k( 283) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 285) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 286) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030488 k( 287) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030488 k( 288) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030488 k( 289) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030488 k( 290) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030488 k( 291) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030488 k( 292) = ( 0.5000000 0.5000000 0.0813954), wk = 0.0030488 k( 293) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030488 k( 294) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030488 k( 295) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030488 k( 296) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030488 k( 297) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030488 k( 298) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030488 k( 299) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030488 k( 300) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030488 k( 301) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030488 k( 302) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.2558140), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.4186047), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 Dense grid: 42931 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19837 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 146, 40) NL pseudopotentials 0.08 Mb ( 73, 76) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1193) G-vector shells 0.00 Mb ( 298) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 146, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 76, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./WO3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.3 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 4.9 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.3 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing kpt #: 17 total cpu time spent up to now is 5.9 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.7 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.3 secs Computing kpt #: 25 total cpu time spent up to now is 7.5 secs Computing kpt #: 26 total cpu time spent up to now is 7.7 secs Computing kpt #: 27 total cpu time spent up to now is 7.9 secs Computing kpt #: 28 total cpu time spent up to now is 8.0 secs Computing kpt #: 29 total cpu time spent up to now is 8.2 secs Computing kpt #: 30 total cpu time spent up to now is 8.4 secs Computing kpt #: 31 total cpu time spent up to now is 8.6 secs Computing kpt #: 32 total cpu time spent up to now is 8.8 secs Computing kpt #: 33 total cpu time spent up to now is 9.0 secs Computing kpt #: 34 total cpu time spent up to now is 9.1 secs Computing kpt #: 35 total cpu time spent up to now is 9.3 secs Computing kpt #: 36 total cpu time spent up to now is 9.5 secs Computing kpt #: 37 total cpu time spent up to now is 9.7 secs Computing kpt #: 38 total cpu time spent up to now is 9.9 secs Computing kpt #: 39 total cpu time spent up to now is 10.1 secs Computing kpt #: 40 total cpu time spent up to now is 10.2 secs Computing kpt #: 41 total cpu time spent up to now is 10.4 secs Computing kpt #: 42 total cpu time spent up to now is 10.6 secs Computing kpt #: 43 total cpu time spent up to now is 10.8 secs Computing kpt #: 44 total cpu time spent up to now is 11.0 secs Computing kpt #: 45 total cpu time spent up to now is 11.1 secs Computing kpt #: 46 total cpu time spent up to now is 11.3 secs Computing kpt #: 47 total cpu time spent up to now is 11.5 secs Computing kpt #: 48 total cpu time spent up to now is 11.7 secs Computing kpt #: 49 total cpu time spent up to now is 11.9 secs Computing kpt #: 50 total cpu time spent up to now is 12.0 secs Computing kpt #: 51 total cpu time spent up to now is 12.2 secs Computing kpt #: 52 total cpu time spent up to now is 12.4 secs Computing kpt #: 53 total cpu time spent up to now is 12.6 secs Computing kpt #: 54 total cpu time spent up to now is 12.8 secs Computing kpt #: 55 total cpu time spent up to now is 13.0 secs Computing kpt #: 56 total cpu time spent up to now is 13.2 secs Computing kpt #: 57 total cpu time spent up to now is 13.4 secs Computing kpt #: 58 total cpu time spent up to now is 13.5 secs Computing kpt #: 59 total cpu time spent up to now is 13.7 secs Computing kpt #: 60 total cpu time spent up to now is 13.9 secs Computing kpt #: 61 total cpu time spent up to now is 14.1 secs Computing kpt #: 62 total cpu time spent up to now is 14.3 secs Computing kpt #: 63 total cpu time spent up to now is 14.5 secs Computing kpt #: 64 total cpu time spent up to now is 14.7 secs Computing kpt #: 65 total cpu time spent up to now is 14.9 secs Computing kpt #: 66 total cpu time spent up to now is 15.1 secs Computing kpt #: 67 total cpu time spent up to now is 15.3 secs Computing kpt #: 68 total cpu time spent up to now is 15.4 secs Computing kpt #: 69 total cpu time spent up to now is 15.6 secs Computing kpt #: 70 total cpu time spent up to now is 15.8 secs Computing kpt #: 71 total cpu time spent up to now is 16.0 secs Computing kpt #: 72 total cpu time spent up to now is 16.2 secs Computing kpt #: 73 total cpu time spent up to now is 16.4 secs Computing kpt #: 74 total cpu time spent up to now is 16.6 secs Computing kpt #: 75 total cpu time spent up to now is 16.7 secs Computing kpt #: 76 total cpu time spent up to now is 16.9 secs Computing kpt #: 77 total cpu time spent up to now is 17.1 secs Computing kpt #: 78 total cpu time spent up to now is 17.3 secs Computing kpt #: 79 total cpu time spent up to now is 17.5 secs Computing kpt #: 80 total cpu time spent up to now is 17.7 secs Computing kpt #: 81 total cpu time spent up to now is 17.9 secs Computing kpt #: 82 total cpu time spent up to now is 18.0 secs Computing kpt #: 83 total cpu time spent up to now is 18.2 secs Computing kpt #: 84 total cpu time spent up to now is 18.4 secs Computing kpt #: 85 total cpu time spent up to now is 18.6 secs Computing kpt #: 86 total cpu time spent up to now is 18.8 secs Computing kpt #: 87 total cpu time spent up to now is 18.9 secs Computing kpt #: 88 total cpu time spent up to now is 19.1 secs Computing kpt #: 89 total cpu time spent up to now is 19.3 secs Computing kpt #: 90 total cpu time spent up to now is 19.5 secs Computing kpt #: 91 total cpu time spent up to now is 19.7 secs Computing kpt #: 92 total cpu time spent up to now is 19.8 secs Computing kpt #: 93 total cpu time spent up to now is 20.0 secs Computing kpt #: 94 total cpu time spent up to now is 20.2 secs Computing kpt #: 95 total cpu time spent up to now is 20.4 secs Computing kpt #: 96 total cpu time spent up to now is 20.6 secs Computing kpt #: 97 total cpu time spent up to now is 20.8 secs Computing kpt #: 98 total cpu time spent up to now is 21.0 secs Computing kpt #: 99 total cpu time spent up to now is 21.1 secs Computing kpt #: 100 total cpu time spent up to now is 21.3 secs Computing kpt #: 101 total cpu time spent up to now is 21.5 secs Computing kpt #: 102 total cpu time spent up to now is 21.7 secs Computing kpt #: 103 total cpu time spent up to now is 21.9 secs Computing kpt #: 104 total cpu time spent up to now is 22.1 secs Computing kpt #: 105 total cpu time spent up to now is 22.3 secs Computing kpt #: 106 total cpu time spent up to now is 22.5 secs Computing kpt #: 107 total cpu time spent up to now is 22.6 secs Computing kpt #: 108 total cpu time spent up to now is 22.8 secs Computing kpt #: 109 total cpu time spent up to now is 23.0 secs Computing kpt #: 110 total cpu time spent up to now is 23.2 secs Computing kpt #: 111 total cpu time spent up to now is 23.4 secs Computing kpt #: 112 total cpu time spent up to now is 23.6 secs Computing kpt #: 113 total cpu time spent up to now is 23.8 secs Computing kpt #: 114 total cpu time spent up to now is 24.0 secs Computing kpt #: 115 total cpu time spent up to now is 24.2 secs Computing kpt #: 116 total cpu time spent up to now is 24.4 secs Computing kpt #: 117 total cpu time spent up to now is 24.6 secs Computing kpt #: 118 total cpu time spent up to now is 24.8 secs Computing kpt #: 119 total cpu time spent up to now is 25.0 secs Computing kpt #: 120 total cpu time spent up to now is 25.2 secs Computing kpt #: 121 total cpu time spent up to now is 25.4 secs Computing kpt #: 122 total cpu time spent up to now is 25.6 secs Computing kpt #: 123 total cpu time spent up to now is 25.8 secs Computing kpt #: 124 total cpu time spent up to now is 26.0 secs Computing kpt #: 125 total cpu time spent up to now is 26.2 secs Computing kpt #: 126 total cpu time spent up to now is 26.5 secs Computing kpt #: 127 total cpu time spent up to now is 26.7 secs Computing kpt #: 128 total cpu time spent up to now is 26.9 secs Computing kpt #: 129 total cpu time spent up to now is 27.1 secs Computing kpt #: 130 total cpu time spent up to now is 27.3 secs Computing kpt #: 131 total cpu time spent up to now is 27.5 secs Computing kpt #: 132 total cpu time spent up to now is 27.8 secs Computing kpt #: 133 total cpu time spent up to now is 28.0 secs Computing kpt #: 134 total cpu time spent up to now is 28.2 secs Computing kpt #: 135 total cpu time spent up to now is 28.4 secs Computing kpt #: 136 total cpu time spent up to now is 28.6 secs Computing kpt #: 137 total cpu time spent up to now is 28.9 secs Computing kpt #: 138 total cpu time spent up to now is 29.1 secs Computing kpt #: 139 total cpu time spent up to now is 29.4 secs Computing kpt #: 140 total cpu time spent up to now is 29.6 secs Computing kpt #: 141 total cpu time spent up to now is 29.8 secs Computing kpt #: 142 total cpu time spent up to now is 30.1 secs Computing kpt #: 143 total cpu time spent up to now is 30.3 secs Computing kpt #: 144 total cpu time spent up to now is 30.6 secs Computing kpt #: 145 total cpu time spent up to now is 30.8 secs Computing kpt #: 146 total cpu time spent up to now is 31.1 secs Computing kpt #: 147 total cpu time spent up to now is 31.3 secs Computing kpt #: 148 total cpu time spent up to now is 31.6 secs Computing kpt #: 149 total cpu time spent up to now is 31.8 secs Computing kpt #: 150 total cpu time spent up to now is 32.0 secs Computing kpt #: 151 total cpu time spent up to now is 32.2 secs Computing kpt #: 152 total cpu time spent up to now is 32.4 secs Computing kpt #: 153 total cpu time spent up to now is 32.6 secs Computing kpt #: 154 total cpu time spent up to now is 32.8 secs Computing kpt #: 155 total cpu time spent up to now is 33.1 secs Computing kpt #: 156 total cpu time spent up to now is 33.4 secs Computing kpt #: 157 total cpu time spent up to now is 33.6 secs Computing kpt #: 158 total cpu time spent up to now is 33.9 secs Computing kpt #: 159 total cpu time spent up to now is 34.2 secs Computing kpt #: 160 total cpu time spent up to now is 34.4 secs Computing kpt #: 161 total cpu time spent up to now is 34.7 secs Computing kpt #: 162 total cpu time spent up to now is 34.9 secs Computing kpt #: 163 total cpu time spent up to now is 35.2 secs Computing kpt #: 164 total cpu time spent up to now is 35.5 secs Computing kpt #: 165 total cpu time spent up to now is 35.7 secs Computing kpt #: 166 total cpu time spent up to now is 36.0 secs Computing kpt #: 167 total cpu time spent up to now is 36.2 secs Computing kpt #: 168 total cpu time spent up to now is 36.5 secs Computing kpt #: 169 total cpu time spent up to now is 36.7 secs Computing kpt #: 170 total cpu time spent up to now is 37.0 secs Computing kpt #: 171 total cpu time spent up to now is 37.2 secs Computing kpt #: 172 total cpu time spent up to now is 37.4 secs Computing kpt #: 173 total cpu time spent up to now is 37.7 secs Computing kpt #: 174 total cpu time spent up to now is 37.9 secs Computing kpt #: 175 total cpu time spent up to now is 38.1 secs Computing kpt #: 176 total cpu time spent up to now is 38.4 secs Computing kpt #: 177 total cpu time spent up to now is 38.6 secs Computing kpt #: 178 total cpu time spent up to now is 38.8 secs Computing kpt #: 179 total cpu time spent up to now is 39.7 secs Computing kpt #: 180 total cpu time spent up to now is 39.9 secs Computing kpt #: 181 total cpu time spent up to now is 40.1 secs Computing kpt #: 182 total cpu time spent up to now is 40.4 secs Computing kpt #: 183 total cpu time spent up to now is 40.6 secs Computing kpt #: 184 total cpu time spent up to now is 40.8 secs Computing kpt #: 185 total cpu time spent up to now is 41.0 secs Computing kpt #: 186 total cpu time spent up to now is 41.2 secs Computing kpt #: 187 total cpu time spent up to now is 41.5 secs Computing kpt #: 188 total cpu time spent up to now is 41.7 secs Computing kpt #: 189 total cpu time spent up to now is 41.9 secs Computing kpt #: 190 total cpu time spent up to now is 42.1 secs Computing kpt #: 191 total cpu time spent up to now is 42.3 secs Computing kpt #: 192 total cpu time spent up to now is 42.6 secs Computing kpt #: 193 total cpu time spent up to now is 42.8 secs Computing kpt #: 194 total cpu time spent up to now is 43.0 secs Computing kpt #: 195 total cpu time spent up to now is 43.2 secs Computing kpt #: 196 total cpu time spent up to now is 43.5 secs Computing kpt #: 197 total cpu time spent up to now is 43.7 secs Computing kpt #: 198 total cpu time spent up to now is 43.9 secs Computing kpt #: 199 total cpu time spent up to now is 44.1 secs Computing kpt #: 200 total cpu time spent up to now is 44.3 secs Computing kpt #: 201 total cpu time spent up to now is 44.5 secs Computing kpt #: 202 total cpu time spent up to now is 44.7 secs Computing kpt #: 203 total cpu time spent up to now is 44.9 secs Computing kpt #: 204 total cpu time spent up to now is 45.2 secs Computing kpt #: 205 total cpu time spent up to now is 45.4 secs Computing kpt #: 206 total cpu time spent up to now is 45.6 secs Computing kpt #: 207 total cpu time spent up to now is 45.8 secs Computing kpt #: 208 total cpu time spent up to now is 46.0 secs Computing kpt #: 209 total cpu time spent up to now is 46.2 secs Computing kpt #: 210 total cpu time spent up to now is 46.4 secs Computing kpt #: 211 total cpu time spent up to now is 46.7 secs Computing kpt #: 212 total cpu time spent up to now is 46.9 secs Computing kpt #: 213 total cpu time spent up to now is 47.1 secs Computing kpt #: 214 total cpu time spent up to now is 47.3 secs Computing kpt #: 215 total cpu time spent up to now is 47.6 secs Computing kpt #: 216 total cpu time spent up to now is 47.8 secs Computing kpt #: 217 total cpu time spent up to now is 48.0 secs Computing kpt #: 218 total cpu time spent up to now is 48.3 secs Computing kpt #: 219 total cpu time spent up to now is 48.5 secs Computing kpt #: 220 total cpu time spent up to now is 48.7 secs Computing kpt #: 221 total cpu time spent up to now is 48.9 secs Computing kpt #: 222 total cpu time spent up to now is 49.1 secs Computing kpt #: 223 total cpu time spent up to now is 49.3 secs Computing kpt #: 224 total cpu time spent up to now is 49.5 secs Computing kpt #: 225 total cpu time spent up to now is 49.7 secs Computing kpt #: 226 total cpu time spent up to now is 49.9 secs Computing kpt #: 227 total cpu time spent up to now is 50.2 secs Computing kpt #: 228 total cpu time spent up to now is 50.4 secs Computing kpt #: 229 total cpu time spent up to now is 50.6 secs Computing kpt #: 230 total cpu time spent up to now is 50.8 secs Computing kpt #: 231 total cpu time spent up to now is 51.1 secs Computing kpt #: 232 total cpu time spent up to now is 51.3 secs Computing kpt #: 233 total cpu time spent up to now is 51.5 secs Computing kpt #: 234 total cpu time spent up to now is 51.7 secs Computing kpt #: 235 total cpu time spent up to now is 52.0 secs Computing kpt #: 236 total cpu time spent up to now is 52.2 secs Computing kpt #: 237 total cpu time spent up to now is 52.4 secs Computing kpt #: 238 total cpu time spent up to now is 52.6 secs Computing kpt #: 239 total cpu time spent up to now is 52.9 secs Computing kpt #: 240 total cpu time spent up to now is 53.1 secs Computing kpt #: 241 total cpu time spent up to now is 53.3 secs Computing kpt #: 242 total cpu time spent up to now is 53.6 secs Computing kpt #: 243 total cpu time spent up to now is 53.8 secs Computing kpt #: 244 total cpu time spent up to now is 54.0 secs Computing kpt #: 245 total cpu time spent up to now is 54.3 secs Computing kpt #: 246 total cpu time spent up to now is 54.5 secs Computing kpt #: 247 total cpu time spent up to now is 54.8 secs Computing kpt #: 248 total cpu time spent up to now is 55.0 secs Computing kpt #: 249 total cpu time spent up to now is 55.3 secs Computing kpt #: 250 total cpu time spent up to now is 55.6 secs Computing kpt #: 251 total cpu time spent up to now is 55.8 secs Computing kpt #: 252 total cpu time spent up to now is 56.1 secs Computing kpt #: 253 total cpu time spent up to now is 56.3 secs Computing kpt #: 254 total cpu time spent up to now is 56.6 secs Computing kpt #: 255 total cpu time spent up to now is 56.8 secs Computing kpt #: 256 total cpu time spent up to now is 57.0 secs Computing kpt #: 257 total cpu time spent up to now is 57.2 secs Computing kpt #: 258 total cpu time spent up to now is 57.4 secs Computing kpt #: 259 total cpu time spent up to now is 57.7 secs Computing kpt #: 260 total cpu time spent up to now is 57.9 secs Computing kpt #: 261 total cpu time spent up to now is 58.1 secs Computing kpt #: 262 total cpu time spent up to now is 58.3 secs Computing kpt #: 263 total cpu time spent up to now is 58.4 secs Computing kpt #: 264 total cpu time spent up to now is 58.6 secs Computing kpt #: 265 total cpu time spent up to now is 58.8 secs Computing kpt #: 266 total cpu time spent up to now is 59.0 secs Computing kpt #: 267 total cpu time spent up to now is 59.2 secs Computing kpt #: 268 total cpu time spent up to now is 59.4 secs Computing kpt #: 269 total cpu time spent up to now is 59.6 secs Computing kpt #: 270 total cpu time spent up to now is 59.8 secs Computing kpt #: 271 total cpu time spent up to now is 60.0 secs Computing kpt #: 272 total cpu time spent up to now is 60.2 secs Computing kpt #: 273 total cpu time spent up to now is 60.4 secs Computing kpt #: 274 total cpu time spent up to now is 60.5 secs Computing kpt #: 275 total cpu time spent up to now is 60.7 secs Computing kpt #: 276 total cpu time spent up to now is 60.9 secs Computing kpt #: 277 total cpu time spent up to now is 61.1 secs Computing kpt #: 278 total cpu time spent up to now is 61.3 secs Computing kpt #: 279 total cpu time spent up to now is 61.5 secs Computing kpt #: 280 total cpu time spent up to now is 61.6 secs Computing kpt #: 281 total cpu time spent up to now is 61.8 secs Computing kpt #: 282 total cpu time spent up to now is 62.0 secs Computing kpt #: 283 total cpu time spent up to now is 62.2 secs Computing kpt #: 284 total cpu time spent up to now is 62.4 secs Computing kpt #: 285 total cpu time spent up to now is 62.5 secs Computing kpt #: 286 total cpu time spent up to now is 62.7 secs Computing kpt #: 287 total cpu time spent up to now is 62.9 secs Computing kpt #: 288 total cpu time spent up to now is 63.1 secs Computing kpt #: 289 total cpu time spent up to now is 63.2 secs Computing kpt #: 290 total cpu time spent up to now is 63.4 secs Computing kpt #: 291 total cpu time spent up to now is 63.6 secs Computing kpt #: 292 total cpu time spent up to now is 63.8 secs Computing kpt #: 293 total cpu time spent up to now is 64.0 secs Computing kpt #: 294 total cpu time spent up to now is 64.1 secs Computing kpt #: 295 total cpu time spent up to now is 64.3 secs Computing kpt #: 296 total cpu time spent up to now is 64.5 secs Computing kpt #: 297 total cpu time spent up to now is 64.7 secs Computing kpt #: 298 total cpu time spent up to now is 64.9 secs Computing kpt #: 299 total cpu time spent up to now is 65.1 secs Computing kpt #: 300 total cpu time spent up to now is 65.3 secs Computing kpt #: 301 total cpu time spent up to now is 65.5 secs Computing kpt #: 302 total cpu time spent up to now is 65.8 secs Computing kpt #: 303 total cpu time spent up to now is 66.1 secs Computing kpt #: 304 total cpu time spent up to now is 66.3 secs Computing kpt #: 305 total cpu time spent up to now is 66.6 secs Computing kpt #: 306 total cpu time spent up to now is 66.9 secs Computing kpt #: 307 total cpu time spent up to now is 67.2 secs Computing kpt #: 308 total cpu time spent up to now is 67.4 secs Computing kpt #: 309 total cpu time spent up to now is 67.7 secs Computing kpt #: 310 total cpu time spent up to now is 68.0 secs Computing kpt #: 311 total cpu time spent up to now is 68.2 secs Computing kpt #: 312 total cpu time spent up to now is 68.5 secs Computing kpt #: 313 total cpu time spent up to now is 68.7 secs Computing kpt #: 314 total cpu time spent up to now is 69.0 secs Computing kpt #: 315 total cpu time spent up to now is 69.3 secs Computing kpt #: 316 total cpu time spent up to now is 69.5 secs Computing kpt #: 317 total cpu time spent up to now is 69.8 secs Computing kpt #: 318 total cpu time spent up to now is 70.0 secs Computing kpt #: 319 total cpu time spent up to now is 70.2 secs Computing kpt #: 320 total cpu time spent up to now is 70.5 secs Computing kpt #: 321 total cpu time spent up to now is 70.7 secs Computing kpt #: 322 total cpu time spent up to now is 70.9 secs Computing kpt #: 323 total cpu time spent up to now is 71.1 secs Computing kpt #: 324 total cpu time spent up to now is 71.3 secs Computing kpt #: 325 total cpu time spent up to now is 71.5 secs Computing kpt #: 326 total cpu time spent up to now is 71.8 secs Computing kpt #: 327 total cpu time spent up to now is 72.0 secs Computing kpt #: 328 total cpu time spent up to now is 72.2 secs ethr = 3.13E-08, avg # of iterations = 16.5 total cpu time spent up to now is 72.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2672 -29.2672 -29.2672 -29.2672 -11.8191 -11.8191 -11.0137 -11.0137 -11.0137 -11.0137 3.0780 3.0780 4.0891 4.0891 4.0891 4.0891 5.5887 5.5887 5.5887 5.5887 5.6059 5.6059 5.6436 5.6436 5.8814 5.8814 5.8814 5.8814 7.4656 7.4656 7.4656 7.4656 8.0064 8.0064 13.3569 13.3569 k = 0.0000 0.0116-0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2674 -29.2674 -29.2672 -29.2672 -11.8183 -11.8183 -11.0136 -11.0136 -11.0126 -11.0126 3.0766 3.0766 4.0865 4.0865 4.0885 4.0885 5.5840 5.5840 5.5868 5.5868 5.6033 5.6033 5.6405 5.6405 5.8751 5.8751 5.8795 5.8795 7.4688 7.4688 7.4753 7.4753 8.0118 8.0118 13.3569 13.3569 k = 0.0000 0.0233-0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2678 -29.2678 -29.2672 -29.2672 -11.8158 -11.8158 -11.0135 -11.0135 -11.0094 -11.0094 3.0723 3.0723 4.0787 4.0787 4.0867 4.0867 5.5687 5.5687 5.5786 5.5786 5.5976 5.5976 5.6325 5.6325 5.8571 5.8571 5.8742 5.8742 7.4780 7.4780 7.5038 7.5038 8.0281 8.0281 13.3570 13.3570 k = 0.0000 0.0349-0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9685 -38.9685 -29.2685 -29.2685 -29.2672 -29.2672 -11.8116 -11.8116 -11.0133 -11.0133 -11.0039 -11.0039 3.0650 3.0650 4.0657 4.0657 4.0837 4.0837 5.5409 5.5409 5.5603 5.5603 5.5927 5.5927 5.6215 5.6215 5.8291 5.8291 5.8667 5.8667 7.4917 7.4917 7.5498 7.5498 8.0559 8.0559 13.3572 13.3572 k = 0.0000 0.0465-0.0000 ( 2501 PWs) bands (ev): -67.5414 -67.5414 -38.9685 -38.9685 -29.2694 -29.2694 -29.2671 -29.2671 -11.8059 -11.8059 -11.0131 -11.0131 -10.9963 -10.9963 3.0545 3.0545 4.0475 4.0475 4.0795 4.0795 5.5009 5.5009 5.5319 5.5319 5.5886 5.5886 5.6069 5.6069 5.7948 5.7948 5.8584 5.8584 7.5082 7.5082 7.6112 7.6112 8.0954 8.0954 13.3574 13.3574 k = 0.0000 0.0581-0.0000 ( 2501 PWs) bands (ev): -67.5414 -67.5414 -38.9687 -38.9687 -29.2706 -29.2706 -29.2670 -29.2670 -11.7988 -11.7988 -11.0128 -11.0128 -10.9864 -10.9864 3.0403 3.0403 4.0241 4.0241 4.0738 4.0738 5.4507 5.4507 5.4951 5.4951 5.5841 5.5841 5.5846 5.5846 5.7595 5.7595 5.8503 5.8503 7.5257 7.5257 7.6857 7.6857 8.1469 8.1469 13.3577 13.3577 k = 0.0000 0.0698-0.0000 ( 2501 PWs) bands (ev): -67.5414 -67.5414 -38.9688 -38.9688 -29.2720 -29.2720 -29.2669 -29.2669 -11.7903 -11.7903 -11.0124 -11.0124 -10.9741 -10.9741 3.0220 3.0220 3.9956 3.9956 4.0667 4.0667 5.3927 5.3927 5.4512 5.4512 5.5497 5.5497 5.5789 5.5789 5.7297 5.7297 5.8431 5.8431 7.5426 7.5426 7.7714 7.7714 8.2102 8.2102 13.3580 13.3580 k = 0.0000 0.0814-0.0000 ( 2493 PWs) bands (ev): -67.5414 -67.5414 -38.9690 -38.9690 -29.2737 -29.2737 -29.2667 -29.2667 -11.7806 -11.7806 -11.0120 -11.0120 -10.9594 -10.9594 2.9990 2.9990 3.9622 3.9622 4.0582 4.0582 5.3288 5.3288 5.4017 5.4017 5.5001 5.5001 5.5731 5.5731 5.7089 5.7089 5.8372 5.8372 7.5581 7.5581 7.8662 7.8662 8.2845 8.2845 13.3584 13.3584 k = 0.0000 0.0930-0.0000 ( 2485 PWs) bands (ev): -67.5413 -67.5413 -38.9692 -38.9692 -29.2756 -29.2756 -29.2666 -29.2666 -11.7699 -11.7699 -11.0115 -11.0115 -10.9421 -10.9421 2.9703 2.9703 3.9244 3.9244 4.0479 4.0479 5.2607 5.2607 5.3480 5.3480 5.4390 5.4390 5.5666 5.5666 5.6959 5.6959 5.8323 5.8323 7.5719 7.5719 7.9685 7.9685 8.3688 8.3688 13.3589 13.3589 k = 0.0000 0.1047-0.0000 ( 2481 PWs) bands (ev): -67.5413 -67.5413 -38.9694 -38.9694 -29.2777 -29.2777 -29.2665 -29.2665 -11.7583 -11.7583 -11.0110 -11.0110 -10.9222 -10.9222 2.9351 2.9351 3.8827 3.8827 4.0359 4.0359 5.1897 5.1897 5.2919 5.2919 5.3708 5.3708 5.5592 5.5592 5.6880 5.6880 5.8286 5.8286 7.5838 7.5838 8.0771 8.0771 8.4618 8.4618 13.3594 13.3594 k = 0.0000 0.1163-0.0000 ( 2481 PWs) bands (ev): -67.5413 -67.5413 -38.9696 -38.9696 -29.2801 -29.2801 -29.2663 -29.2663 -11.7461 -11.7461 -11.0104 -11.0104 -10.8996 -10.8996 2.8923 2.8923 3.8380 3.8380 4.0220 4.0220 5.1168 5.1168 5.2344 5.2344 5.2995 5.2995 5.5512 5.5512 5.6830 5.6830 5.8256 5.8256 7.5942 7.5942 8.1906 8.1906 8.5621 8.5621 13.3599 13.3599 k = 0.0000 0.1279-0.0000 ( 2481 PWs) bands (ev): -67.5413 -67.5413 -38.9699 -38.9699 -29.2826 -29.2826 -29.2661 -29.2661 -11.7334 -11.7334 -11.0097 -11.0097 -10.8743 -10.8743 2.8406 2.8406 3.7913 3.7913 4.0059 4.0059 5.0428 5.0428 5.1770 5.1770 5.2277 5.2277 5.5426 5.5426 5.6799 5.6799 5.8233 5.8233 7.6032 7.6032 8.3082 8.3082 8.6687 8.6687 13.3606 13.3606 k = 0.0000 0.1395-0.0000 ( 2485 PWs) bands (ev): -67.5413 -67.5413 -38.9702 -38.9702 -29.2854 -29.2854 -29.2660 -29.2660 -11.7203 -11.7203 -11.0090 -11.0090 -10.8460 -10.8460 2.7789 2.7789 3.7440 3.7440 3.9877 3.9877 4.9683 4.9683 5.1204 5.1204 5.1573 5.1573 5.5333 5.5333 5.6778 5.6778 5.8216 5.8216 7.6110 7.6110 8.4291 8.4291 8.7804 8.7804 13.3613 13.3613 k = 0.0000 0.1512-0.0000 ( 2481 PWs) bands (ev): -67.5412 -67.5412 -38.9705 -38.9705 -29.2883 -29.2883 -29.2658 -29.2658 -11.7072 -11.7072 -11.0083 -11.0083 -10.8148 -10.8148 2.7064 2.7064 3.6973 3.6973 3.9672 3.9672 4.8940 4.8940 5.0655 5.0655 5.0899 5.0899 5.5235 5.5235 5.6765 5.6765 5.8203 5.8203 7.6179 7.6179 8.5526 8.5526 8.8962 8.8962 13.3620 13.3620 k = 0.0000 0.1628-0.0000 ( 2485 PWs) bands (ev): -67.5412 -67.5412 -38.9708 -38.9708 -29.2914 -29.2914 -29.2655 -29.2655 -11.6941 -11.6941 -11.0075 -11.0075 -10.7808 -10.7808 2.6225 2.6225 3.6523 3.6523 3.9442 3.9442 4.8203 4.8203 5.0131 5.0131 5.0259 5.0259 5.5131 5.5131 5.6756 5.6756 5.8194 5.8194 7.6241 7.6241 8.6781 8.6781 9.0153 9.0153 13.3628 13.3628 k = 0.0000 0.1744-0.0000 ( 2485 PWs) bands (ev): -67.5412 -67.5412 -38.9712 -38.9712 -29.2946 -29.2946 -29.2653 -29.2653 -11.6811 -11.6811 -11.0067 -11.0067 -10.7438 -10.7438 2.5271 2.5271 3.6098 3.6098 3.9188 3.9188 4.7477 4.7477 4.9635 4.9635 4.9659 4.9659 5.5024 5.5024 5.6752 5.6752 5.8187 5.8187 7.6297 7.6297 8.8051 8.8051 9.1370 9.1370 13.3636 13.3636 k = 0.0000 0.1860-0.0000 ( 2477 PWs) bands (ev): -67.5411 -67.5411 -38.9715 -38.9715 -29.2979 -29.2979 -29.2651 -29.2651 -11.6685 -11.6685 -11.0058 -11.0058 -10.7040 -10.7040 2.4208 2.4208 3.5704 3.5704 3.8909 3.8909 4.6768 4.6768 4.9099 4.9099 4.9173 4.9173 5.4913 5.4913 5.6750 5.6750 5.8183 5.8183 7.6348 7.6348 8.9330 8.9330 9.2606 9.2606 13.3646 13.3646 k = 0.0000 0.1977-0.0000 ( 2477 PWs) bands (ev): -67.5411 -67.5411 -38.9719 -38.9719 -29.3013 -29.3013 -29.2648 -29.2648 -11.6563 -11.6563 -11.0050 -11.0050 -10.6614 -10.6614 2.3046 2.3046 3.5340 3.5340 3.8607 3.8607 4.6079 4.6079 4.8577 4.8577 4.8746 4.8746 5.4799 5.4799 5.6750 5.6750 5.8180 5.8180 7.6395 7.6395 9.0615 9.0615 9.3854 9.3854 13.3655 13.3655 k = 0.0000 0.2093-0.0000 ( 2473 PWs) bands (ev): -67.5411 -67.5411 -38.9722 -38.9722 -29.3048 -29.3048 -29.2646 -29.2646 -11.6445 -11.6445 -11.0041 -11.0041 -10.6162 -10.6162 2.1797 2.1797 3.5006 3.5006 3.8283 3.8283 4.5415 4.5415 4.8093 4.8093 4.8356 4.8356 5.4682 5.4682 5.6752 5.6752 5.8179 5.8179 7.6439 7.6439 9.1900 9.1900 9.5110 9.5110 13.3665 13.3665 k = 0.0000 0.2209-0.0000 ( 2481 PWs) bands (ev): -67.5410 -67.5410 -38.9727 -38.9727 -29.3084 -29.3084 -29.2643 -29.2643 -11.6333 -11.6333 -11.0032 -11.0032 -10.5685 -10.5685 2.0476 2.0476 3.4697 3.4697 3.7939 3.7939 4.4777 4.4777 4.7641 4.7641 4.8002 4.8002 5.4562 5.4562 5.6755 5.6755 5.8179 5.8179 7.6480 7.6480 9.3183 9.3183 9.6368 9.6368 13.3676 13.3676 k = 0.0000 0.2326-0.0000 ( 2489 PWs) bands (ev): -67.5410 -67.5410 -38.9731 -38.9731 -29.3120 -29.3120 -29.2641 -29.2641 -11.6226 -11.6226 -11.0023 -11.0023 -10.5186 -10.5186 1.9097 1.9097 3.4409 3.4409 3.7579 3.7579 4.4168 4.4168 4.7221 4.7221 4.7684 4.7684 5.4442 5.4442 5.6758 5.6758 5.8180 5.8180 7.6519 7.6519 9.4458 9.4458 9.7624 9.7624 13.3687 13.3687 k = 0.0000 0.2442-0.0000 ( 2485 PWs) bands (ev): -67.5410 -67.5410 -38.9734 -38.9734 -29.3157 -29.3157 -29.2639 -29.2639 -11.6125 -11.6125 -11.0013 -11.0013 -10.4666 -10.4666 1.7677 1.7677 3.4139 3.4139 3.7205 3.7205 4.3591 4.3591 4.6829 4.6829 4.7400 4.7400 5.4321 5.4321 5.6763 5.6763 5.8182 5.8182 7.6557 7.6557 9.5723 9.5723 9.8872 9.8872 13.3698 13.3698 k = 0.0000 0.2558-0.0000 ( 2485 PWs) bands (ev): -67.5409 -67.5409 -38.9738 -38.9738 -29.3193 -29.3193 -29.2636 -29.2636 -11.6031 -11.6031 -11.0004 -11.0004 -10.4129 -10.4129 1.6228 1.6228 3.3883 3.3883 3.6822 3.6822 4.3046 4.3046 4.6463 4.6463 4.7147 4.7147 5.4201 5.4201 5.6768 5.6768 5.8185 5.8185 7.6592 7.6592 9.6972 9.6972 10.0109 10.0109 13.3710 13.3710 k = 0.0000 0.2674-0.0000 ( 2497 PWs) bands (ev): -67.5409 -67.5409 -38.9743 -38.9743 -29.3230 -29.3230 -29.2634 -29.2634 -11.5942 -11.5942 -10.9995 -10.9995 -10.3576 -10.3576 1.4764 1.4764 3.3638 3.3638 3.6434 3.6434 4.2535 4.2535 4.6120 4.6120 4.6924 4.6924 5.4080 5.4080 5.6774 5.6774 5.8188 5.8188 7.6626 7.6626 9.8203 9.8203 10.1328 10.1328 13.3723 13.3723 k = 0.0000 0.2791-0.0000 ( 2493 PWs) bands (ev): -67.5409 -67.5409 -38.9747 -38.9747 -29.3266 -29.3266 -29.2631 -29.2631 -11.5860 -11.5860 -10.9985 -10.9985 -10.3012 -10.3012 1.3298 1.3298 3.3401 3.3401 3.6043 3.6043 4.2057 4.2057 4.5801 4.5801 4.6727 4.6727 5.3961 5.3961 5.6780 5.6780 5.8191 5.8191 7.6658 7.6658 9.9411 9.9411 10.2527 10.2527 13.3735 13.3735 k = 0.0000 0.2907-0.0000 ( 2493 PWs) bands (ev): -67.5409 -67.5409 -38.9750 -38.9750 -29.3301 -29.3301 -29.2629 -29.2629 -11.5783 -11.5783 -10.9976 -10.9976 -10.2440 -10.2440 1.1839 1.1839 3.3170 3.3170 3.5655 3.5655 4.1613 4.1613 4.5501 4.5501 4.6555 4.6555 5.3845 5.3845 5.6786 5.6786 5.8195 5.8195 7.6689 7.6689 10.0592 10.0592 10.3701 10.3701 13.3749 13.3749 k = 0.0000 0.3023-0.0000 ( 2485 PWs) bands (ev): -67.5408 -67.5408 -38.9754 -38.9754 -29.3336 -29.3336 -29.2626 -29.2626 -11.5711 -11.5711 -10.9967 -10.9967 -10.1864 -10.1864 1.0399 1.0399 3.2945 3.2945 3.5272 3.5272 4.1204 4.1204 4.5221 4.5221 4.6403 4.6403 5.3730 5.3730 5.6793 5.6793 5.8199 5.8199 7.6719 7.6719 10.1742 10.1742 10.4845 10.4845 13.3762 13.3762 k = 0.0000 0.3140-0.0000 ( 2477 PWs) bands (ev): -67.5408 -67.5408 -38.9758 -38.9758 -29.3369 -29.3369 -29.2624 -29.2624 -11.5645 -11.5645 -10.9958 -10.9958 -10.1287 -10.1287 0.8986 0.8986 3.2725 3.2725 3.4898 3.4898 4.0827 4.0827 4.4960 4.4960 4.6270 4.6270 5.3620 5.3620 5.6799 5.6799 5.8203 5.8203 7.6747 7.6747 10.2857 10.2857 10.5955 10.5955 13.3776 13.3776 k = 0.0000 0.3256-0.0000 ( 2477 PWs) bands (ev): -67.5408 -67.5408 -38.9761 -38.9761 -29.3402 -29.3402 -29.2622 -29.2622 -11.5585 -11.5585 -10.9950 -10.9950 -10.0713 -10.0713 0.7610 0.7610 3.2511 3.2511 3.4535 3.4535 4.0483 4.0483 4.4717 4.4717 4.6154 4.6154 5.3513 5.3513 5.6805 5.6805 5.8208 5.8208 7.6774 7.6774 10.3932 10.3932 10.7026 10.7026 13.3790 13.3790 k = 0.0000 0.3372-0.0000 ( 2465 PWs) bands (ev): -67.5407 -67.5407 -38.9764 -38.9764 -29.3433 -29.3433 -29.2619 -29.2619 -11.5529 -11.5529 -10.9941 -10.9941 -10.0147 -10.0147 0.6279 0.6279 3.2301 3.2301 3.4186 3.4186 4.0171 4.0171 4.4490 4.4490 4.6054 4.6054 5.3410 5.3410 5.6811 5.6811 5.8212 5.8212 7.6799 7.6799 10.4965 10.4965 10.8054 10.8054 13.3805 13.3805 k = 0.0000 0.3488-0.0000 ( 2465 PWs) bands (ev): -67.5407 -67.5407 -38.9768 -38.9768 -29.3463 -29.3463 -29.2617 -29.2617 -11.5478 -11.5478 -10.9934 -10.9934 -9.9593 -9.9593 0.5001 0.5001 3.2099 3.2099 3.3853 3.3853 3.9888 3.9888 4.4280 4.4280 4.5965 4.5965 5.3312 5.3312 5.6818 5.6818 5.8216 5.8216 7.6823 7.6823 10.5950 10.5950 10.9035 10.9035 13.3820 13.3820 k = 0.0000 0.3605-0.0000 ( 2465 PWs) bands (ev): -67.5407 -67.5407 -38.9771 -38.9771 -29.3492 -29.3492 -29.2615 -29.2615 -11.5431 -11.5431 -10.9926 -10.9926 -9.9055 -9.9055 0.3784 0.3784 3.1904 3.1904 3.3538 3.3538 3.9633 3.9633 4.4087 4.4087 4.5888 4.5888 5.3219 5.3219 5.6823 5.6823 5.8220 5.8220 7.6846 7.6846 10.6883 10.6883 10.9964 10.9964 13.3834 13.3834 k = 0.0000 0.3721-0.0000 ( 2469 PWs) bands (ev): -67.5407 -67.5407 -38.9774 -38.9774 -29.3519 -29.3519 -29.2613 -29.2613 -11.5389 -11.5389 -10.9919 -10.9919 -9.8539 -9.8539 0.2633 0.2633 3.1717 3.1717 3.3243 3.3243 3.9406 3.9406 4.3910 4.3910 4.5821 4.5821 5.3131 5.3131 5.6829 5.6829 5.8224 5.8224 7.6866 7.6866 10.7759 10.7759 11.0837 11.0837 13.3849 13.3849 k = 0.0000 0.3837-0.0000 ( 2465 PWs) bands (ev): -67.5406 -67.5406 -38.9777 -38.9777 -29.3543 -29.3543 -29.2612 -29.2612 -11.5351 -11.5351 -10.9913 -10.9913 -9.8047 -9.8047 0.1557 0.1557 3.1541 3.1541 3.2970 3.2970 3.9204 3.9204 4.3750 4.3750 4.5763 4.5763 5.3050 5.3050 5.6834 5.6834 5.8227 5.8227 7.6886 7.6886 10.8577 10.8577 11.1650 11.1650 13.3863 13.3863 k = 0.0000 0.3953-0.0000 ( 2464 PWs) bands (ev): -67.5406 -67.5406 -38.9779 -38.9779 -29.3566 -29.3566 -29.2610 -29.2610 -11.5317 -11.5317 -10.9907 -10.9907 -9.7586 -9.7586 0.0562 0.0562 3.1377 3.1377 3.2719 3.2719 3.9026 3.9026 4.3605 4.3605 4.5713 4.5713 5.2975 5.2975 5.6839 5.6839 5.8231 5.8231 7.6903 7.6903 10.9330 10.9330 11.2399 11.2399 13.3877 13.3877 k = 0.0000 0.4070-0.0000 ( 2464 PWs) bands (ev): -67.5406 -67.5406 -38.9781 -38.9781 -29.3587 -29.3587 -29.2609 -29.2609 -11.5286 -11.5286 -10.9901 -10.9901 -9.7159 -9.7159 -0.0347 -0.0347 3.1226 3.1226 3.2492 3.2492 3.8870 3.8870 4.3475 4.3475 4.5671 4.5671 5.2907 5.2907 5.6844 5.6844 5.8234 5.8234 7.6919 7.6919 11.0015 11.0015 11.3080 11.3080 13.3890 13.3890 k = 0.0000 0.4186-0.0000 ( 2464 PWs) bands (ev): -67.5406 -67.5406 -38.9783 -38.9783 -29.3606 -29.3606 -29.2607 -29.2607 -11.5260 -11.5260 -10.9896 -10.9896 -9.6771 -9.6771 -0.1163 -0.1163 3.1089 3.1089 3.2289 3.2289 3.8737 3.8737 4.3361 4.3361 4.5634 4.5634 5.2846 5.2846 5.6848 5.6848 5.8237 5.8237 7.6933 7.6933 11.0629 11.0629 11.3690 11.3690 13.3903 13.3903 k = 0.0000 0.4302-0.0000 ( 2464 PWs) bands (ev): -67.5406 -67.5406 -38.9785 -38.9785 -29.3622 -29.3622 -29.2606 -29.2606 -11.5237 -11.5237 -10.9892 -10.9892 -9.6425 -9.6425 -0.1882 -0.1882 3.0968 3.0968 3.2112 3.2112 3.8623 3.8623 4.3263 4.3263 4.5604 4.5604 5.2793 5.2793 5.6851 5.6851 5.8239 5.8239 7.6946 7.6946 11.1169 11.1169 11.4225 11.4225 13.3915 13.3915 k = 0.0000 0.4419-0.0000 ( 2464 PWs) bands (ev): -67.5405 -67.5405 -38.9787 -38.9787 -29.3636 -29.3636 -29.2605 -29.2605 -11.5219 -11.5219 -10.9888 -10.9888 -9.6126 -9.6126 -0.2498 -0.2498 3.0864 3.0864 3.1961 3.1961 3.8528 3.8528 4.3179 4.3179 4.5580 4.5580 5.2748 5.2748 5.6854 5.6854 5.8241 5.8241 7.6956 7.6956 11.1631 11.1631 11.4683 11.4683 13.3925 13.3925 k = 0.0000 0.4535-0.0000 ( 2464 PWs) bands (ev): -67.5405 -67.5405 -38.9788 -38.9788 -29.3647 -29.3647 -29.2604 -29.2604 -11.5203 -11.5203 -10.9885 -10.9885 -9.5876 -9.5876 -0.3009 -0.3009 3.0777 3.0777 3.1837 3.1837 3.8452 3.8452 4.3111 4.3111 4.5560 4.5560 5.2710 5.2710 5.6856 5.6856 5.8243 5.8243 7.6965 7.6965 11.2013 11.2013 11.5062 11.5062 13.3934 13.3934 k = 0.0000 0.4651-0.0000 ( 2468 PWs) bands (ev): -67.5405 -67.5405 -38.9789 -38.9789 -29.3656 -29.3656 -29.2603 -29.2603 -11.5191 -11.5191 -10.9883 -10.9883 -9.5679 -9.5679 -0.3409 -0.3409 3.0709 3.0709 3.1740 3.1740 3.8394 3.8394 4.3058 4.3058 4.5545 4.5545 5.2681 5.2681 5.6858 5.6858 5.8244 5.8244 7.6972 7.6972 11.2312 11.2312 11.5358 11.5358 13.3941 13.3941 k = 0.0000 0.4767-0.0000 ( 2476 PWs) bands (ev): -67.5405 -67.5405 -38.9790 -38.9790 -29.3663 -29.3663 -29.2603 -29.2603 -11.5183 -11.5183 -10.9881 -10.9881 -9.5536 -9.5536 -0.3698 -0.3698 3.0660 3.0660 3.1671 3.1671 3.8352 3.8352 4.3020 4.3020 4.5534 4.5534 5.2660 5.2660 5.6859 5.6859 5.8245 5.8245 7.6977 7.6977 11.2527 11.2527 11.5571 11.5571 13.3946 13.3946 k = 0.0000 0.4884-0.0000 ( 2496 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3667 -29.3667 -29.2604 -29.2604 -11.5178 -11.5178 -10.9880 -10.9880 -9.5450 -9.5450 -0.3872 -0.3872 3.0630 3.0630 3.1629 3.1629 3.8327 3.8327 4.2997 4.2997 4.5528 4.5528 5.2647 5.2647 5.6859 5.6859 5.8245 5.8245 7.6980 7.6980 11.2656 11.2656 11.5699 11.5699 13.3949 13.3949 k = 0.0000 0.5000-0.0000 ( 2496 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3669 -29.3669 -29.2604 -29.2604 -11.5176 -11.5176 -10.9880 -10.9880 -9.5421 -9.5421 -0.3930 -0.3930 3.0620 3.0620 3.1615 3.1615 3.8319 3.8319 4.2989 4.2989 4.5526 4.5526 5.2643 5.2643 5.6859 5.6859 5.8245 5.8245 7.6981 7.6981 11.2700 11.2700 11.5742 11.5742 13.3950 13.3950 k = 0.0000 0.5000-0.0000 ( 2496 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3669 -29.3669 -29.2604 -29.2604 -11.5176 -11.5176 -10.9880 -10.9880 -9.5421 -9.5421 -0.3930 -0.3930 3.0620 3.0620 3.1615 3.1615 3.8319 3.8319 4.2989 4.2989 4.5526 4.5526 5.2643 5.2643 5.6859 5.6859 5.8245 5.8245 7.6981 7.6981 11.2700 11.2700 11.5742 11.5742 13.3950 13.3950 k = 0.0116 0.5000-0.0000 ( 2496 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3669 -29.3669 -29.2605 -29.2605 -11.5165 -11.5165 -10.9872 -10.9872 -9.5420 -9.5420 -0.3930 -0.3930 3.0580 3.0580 3.1575 3.1575 3.8307 3.8307 4.3030 4.3030 4.5495 4.5495 5.2669 5.2669 5.6814 5.6814 5.8187 5.8187 7.7067 7.7067 11.2705 11.2705 11.5749 11.5749 13.4013 13.4013 k = 0.0233 0.5000-0.0000 ( 2474 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3669 -29.3669 -29.2607 -29.2607 -11.5133 -11.5133 -10.9848 -10.9848 -9.5417 -9.5417 -0.3929 -0.3929 3.0447 3.0447 3.1479 3.1479 3.8265 3.8265 4.3150 4.3150 4.5403 4.5403 5.2748 5.2748 5.6679 5.6679 5.8020 5.8020 7.7323 7.7323 11.2723 11.2723 11.5772 11.5772 13.4199 13.4199 k = 0.0349 0.5000-0.0000 ( 2470 PWs) bands (ev): -67.5405 -67.5405 -38.9792 -38.9792 -29.3671 -29.3671 -29.2612 -29.2612 -11.5079 -11.5079 -10.9807 -10.9807 -9.5413 -9.5413 -0.3929 -0.3929 3.0186 3.0186 3.1374 3.1374 3.8178 3.8178 4.3340 4.3340 4.5251 4.5251 5.2880 5.2880 5.6462 5.6462 5.7750 5.7750 7.7738 7.7738 11.2751 11.2751 11.5809 11.5809 13.4504 13.4504 k = 0.0465 0.5000-0.0000 ( 2470 PWs) bands (ev): -67.5405 -67.5405 -38.9793 -38.9793 -29.3672 -29.3672 -29.2618 -29.2618 -11.5006 -11.5006 -10.9748 -10.9748 -9.5407 -9.5407 -0.3928 -0.3928 2.9786 2.9786 3.1298 3.1298 3.8028 3.8028 4.3587 4.3587 4.5042 4.5042 5.3067 5.3067 5.6171 5.6171 5.7394 5.7394 7.8297 7.8297 11.2789 11.2789 11.5861 11.5861 13.4918 13.4918 k = 0.0581 0.5000-0.0000 ( 2466 PWs) bands (ev): -67.5405 -67.5405 -38.9794 -38.9794 -29.3675 -29.3675 -29.2627 -29.2627 -11.4915 -11.4915 -10.9671 -10.9671 -9.5398 -9.5398 -0.3927 -0.3927 2.9268 2.9268 3.1254 3.1254 3.7799 3.7799 4.3871 4.3871 4.4783 4.4783 5.3310 5.3310 5.5822 5.5822 5.6970 5.6970 7.8984 7.8984 11.2837 11.2837 11.5930 11.5930 13.5431 13.5431 k = 0.0698 0.5000-0.0000 ( 2470 PWs) bands (ev): -67.5405 -67.5405 -38.9796 -38.9796 -29.3678 -29.3678 -29.2638 -29.2638 -11.4807 -11.4807 -10.9574 -10.9574 -9.5388 -9.5388 -0.3926 -0.3926 2.8663 2.8663 3.1229 3.1229 3.7474 3.7474 4.4138 4.4138 4.4517 4.4517 5.3609 5.3609 5.5425 5.5425 5.6498 5.6498 7.9780 7.9780 11.2894 11.2894 11.6016 11.6016 13.6029 13.6029 k = 0.0814 0.5000-0.0000 ( 2470 PWs) bands (ev): -67.5405 -67.5405 -38.9797 -38.9797 -29.3682 -29.3682 -29.2650 -29.2650 -11.4685 -11.4685 -10.9456 -10.9456 -9.5377 -9.5377 -0.3925 -0.3925 2.7995 2.7995 3.1218 3.1218 3.7043 3.7043 4.4031 4.4031 4.4590 4.4590 5.3961 5.3961 5.4998 5.4998 5.5996 5.5996 8.0669 8.0669 11.2958 11.2958 11.6120 11.6120 13.6697 13.6697 k = 0.0930 0.5000-0.0000 ( 2472 PWs) bands (ev): -67.5405 -67.5405 -38.9799 -38.9799 -29.3686 -29.3686 -29.2663 -29.2663 -11.4551 -11.4551 -10.9314 -10.9314 -9.5363 -9.5363 -0.3924 -0.3924 2.7285 2.7285 3.1215 3.1215 3.6493 3.6493 4.3664 4.3664 4.4886 4.4886 5.4318 5.4318 5.4595 5.4595 5.5487 5.5487 8.1636 8.1636 11.3028 11.3028 11.6244 11.6244 13.7419 13.7419 k = 0.1047 0.5000-0.0000 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9802 -38.9802 -29.3691 -29.3691 -29.2678 -29.2678 -11.4409 -11.4409 -10.9146 -10.9146 -9.5347 -9.5347 -0.3923 -0.3923 2.6545 2.6545 3.1217 3.1217 3.5817 3.5817 4.3253 4.3253 4.5184 4.5184 5.4029 5.4029 5.4848 5.4848 5.5009 5.5009 8.2670 8.2670 11.3103 11.3103 11.6390 11.6390 13.8178 13.8178 k = 0.1163 0.5000-0.0000 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9805 -38.9805 -29.3697 -29.3697 -29.2694 -29.2694 -11.4261 -11.4261 -10.8951 -10.8951 -9.5330 -9.5330 -0.3922 -0.3922 2.5787 2.5787 3.1223 3.1223 3.5011 3.5011 4.2824 4.2824 4.5463 4.5463 5.3551 5.3551 5.4492 5.4492 5.5390 5.5390 8.3757 8.3757 11.3181 11.3181 11.6560 11.6560 13.8959 13.8959 k = 0.1279 0.5000-0.0000 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9807 -38.9807 -29.3703 -29.3703 -29.2711 -29.2711 -11.4111 -11.4111 -10.8726 -10.8726 -9.5311 -9.5311 -0.3921 -0.3921 2.5019 2.5019 3.1230 3.1230 3.4076 3.4076 4.2387 4.2387 4.5718 4.5718 5.3062 5.3062 5.4042 5.4042 5.5944 5.5944 8.4890 8.4890 11.3260 11.3260 11.6754 11.6754 13.9747 13.9747 k = 0.1395 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5404 -67.5404 -38.9810 -38.9810 -29.3711 -29.3711 -29.2729 -29.2729 -11.3962 -11.3962 -10.8470 -10.8470 -9.5289 -9.5289 -0.3920 -0.3920 2.4245 2.4245 3.1236 3.1236 3.3019 3.3019 4.1945 4.1945 4.5945 4.5945 5.2576 5.2576 5.3624 5.3624 5.6536 5.6536 8.6059 8.6059 11.3340 11.3340 11.6976 11.6976 14.0528 14.0528 k = 0.1512 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5403 -67.5403 -38.9813 -38.9813 -29.3719 -29.3719 -29.2748 -29.2748 -11.3815 -11.3815 -10.8182 -10.8182 -9.5266 -9.5266 -0.3920 -0.3920 2.3472 2.3472 3.1217 3.1217 3.1873 3.1873 4.1501 4.1501 4.6146 4.6146 5.2104 5.2104 5.3238 5.3238 5.7158 5.7158 8.7257 8.7257 11.3419 11.3419 11.7227 11.7227 14.1292 14.1292 k = 0.1628 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5403 -67.5403 -38.9817 -38.9817 -29.3728 -29.3728 -29.2767 -29.2767 -11.3674 -11.3674 -10.7860 -10.7860 -9.5240 -9.5240 -0.3920 -0.3920 2.2703 2.2703 3.0504 3.0504 3.1321 3.1321 4.1055 4.1055 4.6322 4.6322 5.1653 5.1653 5.2880 5.2880 5.7800 5.7800 8.8479 8.8479 11.3496 11.3496 11.7508 11.7508 14.2029 14.2029 k = 0.1744 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5403 -67.5403 -38.9820 -38.9820 -29.3738 -29.3738 -29.2787 -29.2787 -11.3540 -11.3540 -10.7506 -10.7506 -9.5212 -9.5212 -0.3921 -0.3921 2.1942 2.1942 2.9161 2.9161 3.1313 3.1313 4.0606 4.0606 4.6474 4.6474 5.1230 5.1230 5.2549 5.2549 5.8455 5.8455 8.9718 8.9718 11.3570 11.3570 11.7819 11.7819 14.2732 14.2732 k = 0.1860 0.5000-0.0000 ( 2488 PWs) bands (ev): -67.5403 -67.5403 -38.9824 -38.9824 -29.3749 -29.3749 -29.2807 -29.2807 -11.3414 -11.3414 -10.7120 -10.7120 -9.5182 -9.5182 -0.3922 -0.3922 2.1190 2.1190 2.7726 2.7726 3.1325 3.1325 4.0153 4.0153 4.6605 4.6605 5.0838 5.0838 5.2241 5.2241 5.9116 5.9116 9.0969 9.0969 11.3641 11.3641 11.8162 11.8162 14.3396 14.3396 k = 0.1977 0.5000-0.0000 ( 2480 PWs) bands (ev): -67.5402 -67.5402 -38.9827 -38.9827 -29.3761 -29.3761 -29.2826 -29.2826 -11.3297 -11.3297 -10.6703 -10.6703 -9.5149 -9.5149 -0.3924 -0.3924 2.0450 2.0450 2.6232 2.6232 3.1341 3.1341 3.9697 3.9697 4.6716 4.6716 5.0481 5.0481 5.1953 5.1953 5.9778 5.9778 9.2228 9.2228 11.3708 11.3708 11.8536 11.8536 14.4019 14.4019 k = 0.2093 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5402 -67.5402 -38.9831 -38.9831 -29.3774 -29.3774 -29.2846 -29.2846 -11.3189 -11.3189 -10.6257 -10.6257 -9.5113 -9.5113 -0.3927 -0.3927 1.9722 1.9722 2.4694 2.4694 3.1359 3.1359 3.9237 3.9237 4.6810 4.6810 5.0158 5.0158 5.1683 5.1683 6.0434 6.0434 9.3489 9.3489 11.3771 11.3771 11.8941 11.8941 14.4599 14.4599 k = 0.2209 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5402 -67.5402 -38.9835 -38.9835 -29.3788 -29.3788 -29.2865 -29.2865 -11.3090 -11.3090 -10.5786 -10.5786 -9.5075 -9.5075 -0.3932 -0.3932 1.9005 1.9005 2.3130 2.3130 3.1378 3.1378 3.8775 3.8775 4.6886 4.6886 4.9871 4.9871 5.1428 5.1428 6.1080 6.1080 9.4748 9.4748 11.3831 11.3831 11.9376 11.9376 14.5136 14.5136 k = 0.2326 0.5000-0.0000 ( 2480 PWs) bands (ev): -67.5402 -67.5402 -38.9839 -38.9839 -29.3802 -29.3802 -29.2883 -29.2883 -11.2999 -11.2999 -10.5291 -10.5291 -9.5032 -9.5032 -0.3938 -0.3938 1.8295 1.8295 2.1558 2.1558 3.1397 3.1397 3.8312 3.8312 4.6947 4.6947 4.9619 4.9619 5.1188 5.1188 6.1711 6.1711 9.6001 9.6001 11.3888 11.3888 11.9840 11.9840 14.5631 14.5631 k = 0.2442 0.5000-0.0000 ( 2494 PWs) bands (ev): -67.5401 -67.5401 -38.9843 -38.9843 -29.3818 -29.3818 -29.2901 -29.2901 -11.2917 -11.2917 -10.4778 -10.4778 -9.4987 -9.4987 -0.3946 -0.3946 1.7580 1.7580 2.0003 2.0003 3.1416 3.1416 3.7850 3.7850 4.6991 4.6991 4.9400 4.9400 5.0961 5.0961 6.2325 6.2325 9.7244 9.7244 11.3942 11.3942 12.0330 12.0330 14.6086 14.6086 k = 0.2558 0.5000-0.0000 ( 2494 PWs) bands (ev): -67.5401 -67.5401 -38.9847 -38.9847 -29.3835 -29.3835 -29.2917 -29.2917 -11.2842 -11.2842 -10.4249 -10.4249 -9.4936 -9.4936 -0.3956 -0.3956 1.6819 1.6819 1.8516 1.8516 3.1435 3.1435 3.7393 3.7393 4.7022 4.7022 4.9213 4.9213 5.0746 5.0746 6.2917 6.2917 9.8472 9.8472 11.3993 11.3993 12.0844 12.0844 14.6503 14.6503 k = 0.2674 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5401 -67.5401 -38.9850 -38.9850 -29.3852 -29.3852 -29.2933 -29.2933 -11.2774 -11.2774 -10.3710 -10.3710 -9.4881 -9.4881 -0.3969 -0.3969 1.5889 1.5889 1.7234 1.7234 3.1454 3.1454 3.6942 3.6942 4.7039 4.7039 4.9056 4.9056 5.0543 5.0543 6.3487 6.3487 9.9681 9.9681 11.4043 11.4043 12.1381 12.1381 14.6885 14.6885 k = 0.2791 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5400 -67.5400 -38.9854 -38.9854 -29.3870 -29.3870 -29.2948 -29.2948 -11.2712 -11.2712 -10.3163 -10.3163 -9.4820 -9.4820 -0.3985 -0.3985 1.4654 1.4654 1.6300 1.6300 3.1473 3.1473 3.6499 3.6499 4.7042 4.7042 4.8926 4.8926 5.0350 5.0350 6.4032 6.4032 10.0867 10.0867 11.4091 11.4091 12.1936 12.1936 14.7234 14.7234 k = 0.2907 0.5000-0.0000 ( 2488 PWs) bands (ev): -67.5400 -67.5400 -38.9858 -38.9858 -29.3889 -29.3889 -29.2963 -29.2963 -11.2656 -11.2656 -10.2616 -10.2616 -9.4753 -9.4753 -0.4005 -0.4005 1.3238 1.3238 1.5601 1.5601 3.1490 3.1490 3.6069 3.6069 4.7033 4.7033 4.8822 4.8822 5.0169 5.0169 6.4549 6.4549 10.2024 10.2024 11.4139 11.4139 12.2506 12.2506 14.7552 14.7552 k = 0.3023 0.5000-0.0000 ( 2488 PWs) bands (ev): -67.5400 -67.5400 -38.9862 -38.9862 -29.3907 -29.3907 -29.2976 -29.2976 -11.2605 -11.2605 -10.2071 -10.2071 -9.4678 -9.4678 -0.4029 -0.4029 1.1785 1.1785 1.5004 1.5004 3.1506 3.1506 3.5651 3.5651 4.7013 4.7013 4.8740 4.8740 4.9999 4.9999 6.5038 6.5038 10.3149 10.3149 11.4186 11.4186 12.3088 12.3088 14.7842 14.7842 k = 0.3140 0.5000-0.0000 ( 2486 PWs) bands (ev): -67.5399 -67.5399 -38.9866 -38.9866 -29.3926 -29.3926 -29.2988 -29.2988 -11.2558 -11.2558 -10.1536 -10.1536 -9.4594 -9.4594 -0.4060 -0.4060 1.0348 1.0348 1.4462 1.4462 3.1521 3.1521 3.5251 3.5251 4.6985 4.6985 4.8676 4.8676 4.9839 4.9839 6.5498 6.5498 10.4237 10.4237 11.4235 11.4235 12.3677 12.3677 14.8105 14.8105 k = 0.3256 0.5000-0.0000 ( 2482 PWs) bands (ev): -67.5399 -67.5399 -38.9869 -38.9869 -29.3945 -29.3945 -29.2999 -29.2999 -11.2516 -11.2516 -10.1015 -10.1015 -9.4501 -9.4501 -0.4097 -0.4097 0.8954 0.8954 1.3961 1.3961 3.1534 3.1534 3.4868 3.4868 4.6949 4.6949 4.8628 4.8628 4.9691 4.9691 6.5929 6.5929 10.5282 10.5282 11.4284 11.4284 12.4268 12.4268 14.8345 14.8345 k = 0.3372 0.5000-0.0000 ( 2486 PWs) bands (ev): -67.5399 -67.5399 -38.9873 -38.9873 -29.3964 -29.3964 -29.3009 -29.3009 -11.2478 -11.2478 -10.0514 -10.0514 -9.4396 -9.4396 -0.4144 -0.4144 0.7615 0.7615 1.3495 1.3495 3.1544 3.1544 3.4505 3.4505 4.6909 4.6909 4.8592 4.8592 4.9553 4.9553 6.6330 6.6330 10.6280 10.6280 11.4337 11.4337 12.4858 12.4858 14.8562 14.8562 k = 0.3488 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5399 -67.5399 -38.9876 -38.9876 -29.3982 -29.3982 -29.3018 -29.3018 -11.2444 -11.2444 -10.0039 -10.0039 -9.4279 -9.4279 -0.4201 -0.4201 0.6343 0.6343 1.3062 1.3062 3.1552 3.1552 3.4164 3.4164 4.6866 4.6866 4.8565 4.8565 4.9427 4.9427 6.6701 6.6701 10.7224 10.7224 11.4394 11.4394 12.5439 12.5439 14.8759 14.8759 k = 0.3605 0.5000-0.0000 ( 2484 PWs) bands (ev): -67.5398 -67.5398 -38.9879 -38.9879 -29.4000 -29.4000 -29.3026 -29.3026 -11.2413 -11.2413 -9.9595 -9.9595 -9.4149 -9.4149 -0.4271 -0.4271 0.5150 0.5150 1.2661 1.2661 3.1557 3.1557 3.3847 3.3847 4.6821 4.6821 4.8545 4.8545 4.9312 4.9312 6.7042 6.7042 10.8110 10.8110 11.4458 11.4458 12.6008 12.6008 14.8936 14.8936 k = 0.3721 0.5000-0.0000 ( 2482 PWs) bands (ev): -67.5398 -67.5398 -38.9882 -38.9882 -29.4018 -29.4018 -29.3033 -29.3033 -11.2385 -11.2385 -9.9187 -9.9187 -9.4005 -9.4005 -0.4357 -0.4357 0.4044 0.4044 1.2292 1.2292 3.1557 3.1557 3.3557 3.3557 4.6776 4.6776 4.8529 4.8529 4.9209 4.9209 6.7353 6.7353 10.8930 10.8930 11.4529 11.4529 12.6559 12.6559 14.9096 14.9096 k = 0.3837 0.5000-0.0000 ( 2472 PWs) bands (ev): -67.5398 -67.5398 -38.9884 -38.9884 -29.4034 -29.4034 -29.3039 -29.3039 -11.2360 -11.2360 -9.8819 -9.8819 -9.3850 -9.3850 -0.4462 -0.4462 0.3036 0.3036 1.1954 1.1954 3.1552 3.1552 3.3294 3.3294 4.6733 4.6733 4.8516 4.8516 4.9119 4.9119 6.7636 6.7636 10.9679 10.9679 11.4611 11.4611 12.7086 12.7086 14.9238 14.9238 k = 0.3953 0.5000-0.0000 ( 2472 PWs) bands (ev): -67.5397 -67.5397 -38.9887 -38.9887 -29.4049 -29.4049 -29.3045 -29.3045 -11.2337 -11.2337 -9.8494 -9.8494 -9.3685 -9.3685 -0.4589 -0.4589 0.2134 0.2134 1.1648 1.1648 3.1540 3.1540 3.3060 3.3060 4.6691 4.6691 4.8503 4.8503 4.9040 4.9040 6.7889 6.7889 11.0349 11.0349 11.4706 11.4706 12.7583 12.7583 14.9364 14.9364 k = 0.4070 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5397 -67.5397 -38.9889 -38.9889 -29.4063 -29.4063 -29.3050 -29.3050 -11.2318 -11.2318 -9.8211 -9.8211 -9.3513 -9.3513 -0.4739 -0.4739 0.1346 0.1346 1.1374 1.1374 3.1521 3.1521 3.2858 3.2858 4.6652 4.6652 4.8490 4.8490 4.8974 4.8974 6.8114 6.8114 11.0935 11.0935 11.4816 11.4816 12.8046 12.8046 14.9475 14.9475 k = 0.4186 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5397 -67.5397 -38.9891 -38.9891 -29.4076 -29.4076 -29.3054 -29.3054 -11.2301 -11.2301 -9.7971 -9.7971 -9.3341 -9.3341 -0.4911 -0.4911 0.0677 0.0677 1.1131 1.1131 3.1495 3.1495 3.2688 3.2688 4.6616 4.6616 4.8476 4.8476 4.8920 4.8920 6.8311 6.8311 11.1433 11.1433 11.4942 11.4942 12.8468 12.8468 14.9572 14.9572 k = 0.4302 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5397 -67.5397 -38.9893 -38.9893 -29.4088 -29.4088 -29.3058 -29.3058 -11.2286 -11.2286 -9.7771 -9.7771 -9.3173 -9.3173 -0.5101 -0.5101 0.0125 0.0125 1.0920 1.0920 3.1462 3.1462 3.2550 3.2550 4.6583 4.6583 4.8461 4.8461 4.8878 4.8878 6.8481 6.8481 11.1842 11.1842 11.5081 11.5081 12.8846 12.8846 14.9655 14.9655 k = 0.4419 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5397 -67.5397 -38.9894 -38.9894 -29.4097 -29.4097 -29.3061 -29.3061 -11.2274 -11.2274 -9.7609 -9.7609 -9.3017 -9.3017 -0.5297 -0.5297 -0.0314 -0.0314 1.0741 1.0741 3.1423 3.1423 3.2444 3.2444 4.6556 4.6556 4.8446 4.8446 4.8846 4.8846 6.8624 6.8624 11.2165 11.2165 11.5228 11.5228 12.9174 12.9174 14.9724 14.9724 k = 0.4535 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5397 -67.5397 -38.9896 -38.9896 -29.4106 -29.4106 -29.3063 -29.3063 -11.2264 -11.2264 -9.7482 -9.7482 -9.2879 -9.2879 -0.5488 -0.5488 -0.0649 -0.0649 1.0595 1.0595 3.1383 3.1383 3.2364 3.2364 4.6532 4.6532 4.8431 4.8431 4.8823 4.8823 6.8740 6.8740 11.2409 11.2409 11.5371 11.5371 12.9448 12.9448 14.9780 14.9780 k = 0.4651 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5397 -67.5397 -38.9897 -38.9897 -29.4112 -29.4112 -29.3065 -29.3065 -11.2256 -11.2256 -9.7386 -9.7386 -9.2766 -9.2766 -0.5657 -0.5657 -0.0892 -0.0892 1.0481 1.0481 3.1346 3.1346 3.2308 3.2308 4.6514 4.6514 4.8418 4.8418 4.8806 4.8806 6.8830 6.8830 11.2585 11.2585 11.5500 11.5500 12.9665 12.9665 14.9824 14.9824 k = 0.4767 0.5000-0.0000 ( 2476 PWs) bands (ev): -67.5397 -67.5397 -38.9897 -38.9897 -29.4117 -29.4117 -29.3066 -29.3066 -11.2251 -11.2251 -9.7320 -9.7320 -9.2681 -9.2681 -0.5789 -0.5789 -0.1057 -0.1057 1.0400 1.0400 3.1316 3.1316 3.2272 3.2272 4.6500 4.6500 4.8408 4.8408 4.8796 4.8796 6.8894 6.8894 11.2702 11.2702 11.5601 11.5601 12.9822 12.9822 14.9855 14.9855 k = 0.4884 0.5000-0.0000 ( 2472 PWs) bands (ev): -67.5397 -67.5397 -38.9898 -38.9898 -29.4120 -29.4120 -29.3067 -29.3067 -11.2247 -11.2247 -9.7281 -9.7281 -9.2628 -9.2628 -0.5873 -0.5873 -0.1151 -0.1151 1.0351 1.0351 3.1297 3.1297 3.2251 3.2251 4.6492 4.6492 4.8401 4.8401 4.8790 4.8790 6.8932 6.8932 11.2769 11.2769 11.5666 11.5666 12.9917 12.9917 14.9873 14.9873 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -67.5396 -67.5396 -38.9898 -38.9898 -29.4120 -29.4120 -29.3067 -29.3067 -11.2246 -11.2246 -9.7268 -9.7268 -9.2610 -9.2610 -0.5902 -0.5902 -0.1182 -0.1182 1.0335 1.0335 3.1290 3.1290 3.2245 3.2245 4.6490 4.6490 4.8399 4.8399 4.8788 4.8788 6.8945 6.8945 11.2791 11.2791 11.5688 11.5688 12.9949 12.9949 14.9879 14.9879 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -67.5396 -67.5396 -38.9898 -38.9898 -29.4120 -29.4120 -29.3067 -29.3067 -11.2246 -11.2246 -9.7268 -9.7268 -9.2610 -9.2610 -0.5902 -0.5902 -0.1182 -0.1182 1.0335 1.0335 3.1290 3.1290 3.2245 3.2245 4.6490 4.6490 4.8399 4.8399 4.8788 4.8788 6.8945 6.8945 11.2791 11.2791 11.5688 11.5688 12.9949 12.9949 14.9879 14.9879 k = 0.4917 0.4917-0.0000 ( 2468 PWs) bands (ev): -67.5396 -67.5396 -38.9898 -38.9898 -29.4119 -29.4119 -29.3067 -29.3067 -11.2247 -11.2247 -9.7281 -9.7281 -9.2629 -9.2629 -0.5872 -0.5872 -0.1151 -0.1151 1.0352 1.0352 3.1297 3.1297 3.2251 3.2251 4.6493 4.6493 4.8402 4.8402 4.8790 4.8790 6.8932 6.8932 11.2769 11.2769 11.5665 11.5665 12.9916 12.9916 14.9873 14.9873 k = 0.4833 0.4833-0.0000 ( 2480 PWs) bands (ev): -67.5397 -67.5397 -38.9897 -38.9897 -29.4117 -29.4117 -29.3066 -29.3066 -11.2251 -11.2251 -9.7321 -9.7321 -9.2683 -9.2683 -0.5783 -0.5783 -0.1056 -0.1056 1.0402 1.0402 3.1318 3.1318 3.2272 3.2272 4.6501 4.6501 4.8408 4.8408 4.8796 4.8796 6.8893 6.8893 11.2702 11.2702 11.5596 11.5596 12.9818 12.9818 14.9854 14.9854 k = 0.4750 0.4750-0.0000 ( 2480 PWs) bands (ev): -67.5397 -67.5397 -38.9897 -38.9897 -29.4112 -29.4112 -29.3065 -29.3065 -11.2257 -11.2257 -9.7387 -9.7387 -9.2774 -9.2774 -0.5634 -0.5634 -0.0900 -0.0900 1.0486 1.0486 3.1352 3.1352 3.2306 3.2306 4.6515 4.6515 4.8420 4.8420 4.8805 4.8805 6.8827 6.8827 11.2591 11.2591 11.5481 11.5481 12.9656 12.9656 14.9822 14.9822 k = 0.4667 0.4667-0.0000 ( 2480 PWs) bands (ev): -67.5397 -67.5397 -38.9896 -38.9896 -29.4105 -29.4105 -29.3063 -29.3063 -11.2264 -11.2264 -9.7478 -9.7478 -9.2900 -9.2900 -0.5426 -0.5426 -0.0681 -0.0681 1.0603 1.0603 3.1399 3.1399 3.2354 3.2354 4.6534 4.6534 4.8436 4.8436 4.8819 4.8819 6.8737 6.8737 11.2437 11.2437 11.5322 11.5322 12.9429 12.9429 14.9778 14.9778 k = 0.4583 0.4583-0.0000 ( 2480 PWs) bands (ev): -67.5397 -67.5397 -38.9894 -38.9894 -29.4096 -29.4096 -29.3061 -29.3061 -11.2275 -11.2275 -9.7595 -9.7595 -9.3061 -9.3061 -0.5160 -0.5160 -0.0401 -0.0401 1.0754 1.0754 3.1459 3.1459 3.2418 3.2418 4.6559 4.6559 4.8456 4.8456 4.8836 4.8836 6.8621 6.8621 11.2239 11.2239 11.5118 11.5118 12.9139 12.9139 14.9721 14.9721 k = 0.4500 0.4500-0.0000 ( 2478 PWs) bands (ev): -67.5397 -67.5397 -38.9893 -38.9893 -29.4086 -29.4086 -29.3058 -29.3058 -11.2287 -11.2287 -9.7737 -9.7737 -9.3255 -9.3255 -0.4838 -0.4838 -0.0062 -0.0062 1.0938 1.0938 3.1531 3.1531 3.2497 3.2497 4.6590 4.6590 4.8481 4.8481 4.8857 4.8857 6.8480 6.8480 11.1997 11.1997 11.4870 11.4870 12.8789 12.8789 14.9651 14.9651 k = 0.4417 0.4417-0.0000 ( 2478 PWs) bands (ev): -67.5397 -67.5397 -38.9891 -38.9891 -29.4074 -29.4074 -29.3055 -29.3055 -11.2302 -11.2302 -9.7902 -9.7902 -9.3481 -9.3481 -0.4460 -0.4460 0.0337 0.0337 1.1156 1.1156 3.1613 3.1613 3.2592 3.2592 4.6627 4.6627 4.8511 4.8511 4.8882 4.8882 6.8316 6.8316 11.1713 11.1713 11.4580 11.4580 12.8378 12.8378 14.9569 14.9569 k = 0.4333 0.4333-0.0000 ( 2478 PWs) bands (ev): -67.5397 -67.5397 -38.9889 -38.9889 -29.4060 -29.4060 -29.3051 -29.3051 -11.2319 -11.2319 -9.8092 -9.8092 -9.3737 -9.3737 -0.4028 -0.4028 0.0793 0.0793 1.1408 1.1408 3.1704 3.1704 3.2706 3.2706 4.6670 4.6670 4.8545 4.8545 4.8911 4.8911 6.8129 6.8129 11.1387 11.1387 11.4248 11.4248 12.7910 12.7910 14.9473 14.9473 k = 0.4250 0.4250-0.0000 ( 2478 PWs) bands (ev): -67.5398 -67.5398 -38.9886 -38.9886 -29.4044 -29.4044 -29.3046 -29.3046 -11.2339 -11.2339 -9.8303 -9.8303 -9.4023 -9.4023 -0.3543 -0.3543 0.1304 0.1304 1.1694 1.1694 3.1804 3.1804 3.2837 3.2837 4.6718 4.6718 4.8584 4.8584 4.8944 4.8944 6.7919 6.7919 11.1020 11.1020 11.3876 11.3876 12.7386 12.7386 14.9365 14.9365 k = 0.4167 0.4167-0.0000 ( 2478 PWs) bands (ev): -67.5398 -67.5398 -38.9884 -38.9884 -29.4026 -29.4026 -29.3042 -29.3042 -11.2362 -11.2362 -9.8536 -9.8536 -9.4335 -9.4335 -0.3007 -0.3007 0.1870 0.1870 1.2014 1.2014 3.1912 3.1912 3.2988 3.2988 4.6773 4.6773 4.8627 4.8627 4.8981 4.8981 6.7689 6.7689 11.0612 11.0612 11.3464 11.3464 12.6809 12.6809 14.9243 14.9243 k = 0.4083 0.4083-0.0000 ( 2482 PWs) bands (ev): -67.5398 -67.5398 -38.9881 -38.9881 -29.4007 -29.4007 -29.3036 -29.3036 -11.2387 -11.2387 -9.8790 -9.8790 -9.4672 -9.4672 -0.2423 -0.2423 0.2487 0.2487 1.2368 1.2368 3.2025 3.2025 3.3159 3.3159 4.6833 4.6833 4.8674 4.8674 4.9022 4.9022 6.7438 6.7438 11.0165 11.0165 11.3015 11.3015 12.6182 12.6182 14.9108 14.9108 k = 0.4000 0.4000-0.0000 ( 2478 PWs) bands (ev): -67.5398 -67.5398 -38.9877 -38.9877 -29.3986 -29.3986 -29.3030 -29.3030 -11.2415 -11.2415 -9.9063 -9.9063 -9.5033 -9.5033 -0.1792 -0.1792 0.3154 0.3154 1.2757 1.2757 3.2145 3.2145 3.3351 3.3351 4.6900 4.6900 4.8726 4.8726 4.9067 4.9067 6.7169 6.7169 10.9680 10.9680 11.2530 11.2530 12.5505 12.5505 14.8960 14.8960 k = 0.3917 0.3917-0.0000 ( 2478 PWs) bands (ev): -67.5398 -67.5398 -38.9874 -38.9874 -29.3963 -29.3963 -29.3024 -29.3024 -11.2445 -11.2445 -9.9354 -9.9354 -9.5414 -9.5414 -0.1116 -0.1116 0.3869 0.3869 1.3180 1.3180 3.2270 3.2270 3.3564 3.3564 4.6974 4.6974 4.8783 4.8783 4.9117 4.9117 6.6882 6.6882 10.9158 10.9158 11.2010 11.2010 12.4784 12.4784 14.8798 14.8798 k = 0.3833 0.3833-0.0000 ( 2476 PWs) bands (ev): -67.5399 -67.5399 -38.9870 -38.9870 -29.3939 -29.3939 -29.3017 -29.3017 -11.2479 -11.2479 -9.9662 -9.9662 -9.5814 -9.5814 -0.0397 -0.0397 0.4627 0.4627 1.3640 1.3640 3.2400 3.2400 3.3797 3.3797 4.7054 4.7054 4.8843 4.8843 4.9170 4.9170 6.6579 6.6579 10.8600 10.8600 11.1457 11.1457 12.4019 12.4019 14.8623 14.8623 k = 0.3750 0.3750-0.0000 ( 2472 PWs) bands (ev): -67.5399 -67.5399 -38.9866 -38.9866 -29.3913 -29.3913 -29.3010 -29.3010 -11.2516 -11.2516 -9.9986 -9.9986 -9.6230 -9.6230 0.0362 0.0362 0.5428 0.5428 1.4134 1.4134 3.2535 3.2535 3.4051 3.4051 4.7140 4.7140 4.8908 4.8908 4.9228 4.9228 6.6261 6.6261 10.8007 10.8007 11.0871 11.0871 12.3213 12.3213 14.8434 14.8434 k = 0.3667 0.3667-0.0000 ( 2486 PWs) bands (ev): -67.5399 -67.5399 -38.9862 -38.9862 -29.3887 -29.3887 -29.3003 -29.3003 -11.2557 -11.2557 -10.0325 -10.0325 -9.6661 -9.6661 0.1159 0.1159 0.6268 0.6268 1.4665 1.4665 3.2675 3.2675 3.4325 3.4325 4.7234 4.7234 4.8977 4.8977 4.9290 4.9290 6.5930 6.5930 10.7382 10.7382 11.0255 11.0255 12.2369 12.2369 14.8231 14.8231 k = 0.3583 0.3583-0.0000 ( 2482 PWs) bands (ev): -67.5400 -67.5400 -38.9858 -38.9858 -29.3859 -29.3859 -29.2995 -29.2995 -11.2601 -11.2601 -10.0676 -10.0676 -9.7103 -9.7103 0.1991 0.1991 0.7144 0.7144 1.5232 1.5232 3.2821 3.2821 3.4620 3.4620 4.7334 4.7334 4.9051 4.9051 4.9356 4.9356 6.5587 6.5587 10.6725 10.6725 10.9611 10.9611 12.1490 12.1490 14.8015 14.8015 k = 0.3500 0.3500-0.0000 ( 2482 PWs) bands (ev): -67.5400 -67.5400 -38.9854 -38.9854 -29.3829 -29.3829 -29.2987 -29.2987 -11.2649 -11.2649 -10.1039 -10.1039 -9.7556 -9.7556 0.2856 0.2856 0.8052 0.8052 1.5837 1.5837 3.2971 3.2971 3.4934 3.4934 4.7442 4.7442 4.9128 4.9128 4.9428 4.9428 6.5233 6.5233 10.6039 10.6039 10.8938 10.8938 12.0578 12.0578 14.7784 14.7784 k = 0.3417 0.3417-0.0000 ( 2486 PWs) bands (ev): -67.5401 -67.5401 -38.9849 -38.9849 -29.3798 -29.3798 -29.2979 -29.2979 -11.2700 -11.2700 -10.1412 -10.1412 -9.8016 -9.8016 0.3752 0.3752 0.8990 0.8990 1.6481 1.6481 3.3126 3.3126 3.5268 3.5268 4.7557 4.7557 4.9210 4.9210 4.9504 4.9504 6.4871 6.4871 10.5324 10.5324 10.8239 10.8239 11.9636 11.9636 14.7540 14.7540 k = 0.3333 0.3333-0.0000 ( 2478 PWs) bands (ev): -67.5401 -67.5401 -38.9844 -38.9844 -29.3766 -29.3766 -29.2970 -29.2970 -11.2757 -11.2757 -10.1793 -10.1793 -9.8482 -9.8482 0.4674 0.4674 0.9955 0.9955 1.7163 1.7163 3.3287 3.3287 3.5621 3.5621 4.7680 4.7680 4.9295 4.9295 4.9586 4.9586 6.4502 6.4502 10.4584 10.4584 10.7515 10.7515 11.8665 11.8665 14.7282 14.7282 k = 0.3250 0.3250-0.0000 ( 2486 PWs) bands (ev): -67.5401 -67.5401 -38.9839 -38.9839 -29.3734 -29.3734 -29.2961 -29.2961 -11.2818 -11.2818 -10.2182 -10.2182 -9.8952 -9.8952 0.5621 0.5621 1.0942 1.0942 1.7886 1.7886 3.3453 3.3453 3.5992 3.5992 4.7810 4.7810 4.9384 4.9384 4.9673 4.9673 6.4126 6.4126 10.3819 10.3819 10.6768 10.6768 11.7667 11.7667 14.7011 14.7011 k = 0.3167 0.3167-0.0000 ( 2482 PWs) bands (ev): -67.5402 -67.5402 -38.9834 -38.9834 -29.3700 -29.3700 -29.2952 -29.2952 -11.2884 -11.2884 -10.2576 -10.2576 -9.9425 -9.9425 0.6590 0.6590 1.1948 1.1948 1.8649 1.8649 3.3624 3.3624 3.6381 3.6381 4.7948 4.7948 4.9477 4.9477 4.9766 4.9766 6.3747 6.3747 10.3031 10.3031 10.5998 10.5998 11.6646 11.6646 14.6725 14.6725 k = 0.3083 0.3083-0.0000 ( 2486 PWs) bands (ev): -67.5402 -67.5402 -38.9829 -38.9829 -29.3665 -29.3665 -29.2943 -29.2943 -11.2956 -11.2956 -10.2974 -10.2974 -9.9897 -9.9897 0.7577 0.7577 1.2971 1.2971 1.9454 1.9454 3.3800 3.3800 3.6788 3.6788 4.8095 4.8095 4.9574 4.9574 4.9865 4.9865 6.3365 6.3365 10.2222 10.2222 10.5207 10.5207 11.5603 11.5603 14.6426 14.6426 k = 0.3000 0.3000-0.0000 ( 2482 PWs) bands (ev): -67.5403 -67.5403 -38.9824 -38.9824 -29.3630 -29.3630 -29.2933 -29.2933 -11.3033 -11.3033 -10.3374 -10.3374 -10.0368 -10.0368 0.8579 0.8579 1.4007 1.4007 2.0301 2.0301 3.3982 3.3982 3.7213 3.7213 4.8249 4.8249 4.9674 4.9674 4.9970 4.9970 6.2982 6.2982 10.1395 10.1395 10.4397 10.4397 11.4539 11.4539 14.6114 14.6114 k = 0.2917 0.2917-0.0000 ( 2480 PWs) bands (ev): -67.5403 -67.5403 -38.9818 -38.9818 -29.3593 -29.3593 -29.2923 -29.2923 -11.3117 -11.3117 -10.3773 -10.3773 -10.0837 -10.0837 0.9592 0.9592 1.5053 1.5053 2.1190 2.1190 3.4169 3.4169 3.7654 3.7654 4.8412 4.8412 4.9779 4.9779 5.0082 5.0082 6.2599 6.2599 10.0551 10.0551 10.3568 10.3568 11.3457 11.3457 14.5789 14.5789 k = 0.2833 0.2833-0.0000 ( 2480 PWs) bands (ev): -67.5403 -67.5403 -38.9813 -38.9813 -29.3557 -29.3557 -29.2913 -29.2913 -11.3208 -11.3208 -10.4171 -10.4171 -10.1301 -10.1301 1.0613 1.0613 1.6107 1.6107 2.2121 2.2121 3.4361 3.4361 3.8113 3.8113 4.8582 4.8582 4.9887 4.9887 5.0201 5.0201 6.2218 6.2218 9.9691 9.9691 10.2721 10.2721 11.2358 11.2358 14.5450 14.5450 k = 0.2750 0.2750-0.0000 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9807 -38.9807 -29.3520 -29.3520 -29.2903 -29.2903 -11.3306 -11.3306 -10.4565 -10.4565 -10.1760 -10.1760 1.1639 1.1639 1.7167 1.7167 2.3093 2.3093 3.4558 3.4558 3.8587 3.8587 4.8761 4.8761 5.0001 5.0001 5.0327 5.0327 6.1841 6.1841 9.8817 9.8817 10.1859 10.1859 11.1243 11.1243 14.5100 14.5100 k = 0.2667 0.2667-0.0000 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9802 -38.9802 -29.3482 -29.3482 -29.2893 -29.2893 -11.3413 -11.3413 -10.4954 -10.4954 -10.2212 -10.2212 1.2666 1.2666 1.8232 1.8232 2.4105 2.4105 3.4761 3.4761 3.9078 3.9078 4.8947 4.8947 5.0121 5.0121 5.0460 5.0460 6.1469 6.1469 9.7932 9.7932 10.0982 10.0982 11.0115 11.0115 14.4737 14.4737 k = 0.2583 0.2583-0.0000 ( 2468 PWs) bands (ev): -67.5405 -67.5405 -38.9796 -38.9796 -29.3444 -29.3444 -29.2882 -29.2882 -11.3527 -11.3527 -10.5334 -10.5334 -10.2658 -10.2658 1.3689 1.3689 1.9300 1.9300 2.5154 2.5154 3.4970 3.4970 3.9584 3.9584 4.9140 4.9140 5.0249 5.0249 5.0601 5.0601 6.1103 6.1103 9.7036 9.7036 10.0092 10.0092 10.8975 10.8975 14.4363 14.4363 k = 0.2500 0.2500-0.0000 ( 2468 PWs) bands (ev): -67.5405 -67.5405 -38.9790 -38.9790 -29.3407 -29.3407 -29.2872 -29.2872 -11.3651 -11.3651 -10.5705 -10.5705 -10.3095 -10.3095 1.4706 1.4706 2.0371 2.0371 2.6237 2.6237 3.5184 3.5184 4.0105 4.0105 4.9339 4.9339 5.0385 5.0385 5.0749 5.0749 6.0744 6.0744 9.6132 9.6132 9.9189 9.9189 10.7823 10.7823 14.3978 14.3978 k = 0.2417 0.2417-0.0000 ( 2474 PWs) bands (ev): -67.5406 -67.5406 -38.9784 -38.9784 -29.3369 -29.3369 -29.2861 -29.2861 -11.3784 -11.3784 -10.6065 -10.6065 -10.3523 -10.3523 1.5711 1.5711 2.1443 2.1443 2.7351 2.7351 3.5405 3.5405 4.0641 4.0641 4.9543 4.9543 5.0533 5.0533 5.0905 5.0905 6.0394 6.0394 9.5221 9.5221 9.8275 9.8275 10.6662 10.6662 14.3582 14.3582 k = 0.2333 0.2333-0.0000 ( 2478 PWs) bands (ev): -67.5406 -67.5406 -38.9779 -38.9779 -29.3331 -29.3331 -29.2851 -29.2851 -11.3927 -11.3927 -10.6411 -10.6411 -10.3941 -10.3941 1.6703 1.6703 2.2516 2.2516 2.8492 2.8492 3.5633 3.5633 4.1190 4.1190 4.9751 4.9751 5.0694 5.0694 5.1068 5.1068 6.0054 6.0054 9.4304 9.4304 9.7351 9.7351 10.5493 10.5493 14.3177 14.3177 k = 0.2250 0.2250-0.0000 ( 2478 PWs) bands (ev): -67.5407 -67.5407 -38.9773 -38.9773 -29.3293 -29.3293 -29.2841 -29.2841 -11.4080 -11.4080 -10.6743 -10.6743 -10.4349 -10.4349 1.7677 1.7677 2.3589 2.3589 2.9654 2.9654 3.5869 3.5869 4.1753 4.1753 4.9960 4.9960 5.0872 5.0872 5.1239 5.1239 5.9725 5.9725 9.3384 9.3384 9.6418 9.6418 10.4317 10.4317 14.2763 14.2763 k = 0.2167 0.2167-0.0000 ( 2488 PWs) bands (ev): -67.5407 -67.5407 -38.9768 -38.9768 -29.3256 -29.3256 -29.2831 -29.2831 -11.4242 -11.4242 -10.7058 -10.7058 -10.4746 -10.4746 1.8631 1.8631 2.4661 2.4661 3.0831 3.0831 3.6116 3.6116 4.2328 4.2328 5.0170 5.0170 5.1069 5.1069 5.1418 5.1418 5.9408 5.9408 9.2462 9.2462 9.5479 9.5479 10.3135 10.3135 14.2342 14.2342 k = 0.2083 0.2083-0.0000 ( 2488 PWs) bands (ev): -67.5408 -67.5408 -38.9763 -38.9763 -29.3219 -29.3219 -29.2821 -29.2821 -11.4414 -11.4414 -10.7356 -10.7356 -10.5132 -10.5132 1.9561 1.9561 2.5729 2.5729 3.2016 3.2016 3.6377 3.6377 4.2916 4.2916 5.0380 5.0380 5.1287 5.1287 5.1606 5.1606 5.9105 5.9105 9.1539 9.1539 9.4533 9.4533 10.1949 10.1949 14.1913 14.1913 k = 0.2000 0.2000-0.0000 ( 2482 PWs) bands (ev): -67.5408 -67.5408 -38.9757 -38.9757 -29.3182 -29.3182 -29.2811 -29.2811 -11.4596 -11.4596 -10.7636 -10.7636 -10.5505 -10.5505 2.0465 2.0465 2.6791 2.6791 3.3198 3.3198 3.6660 3.6660 4.3515 4.3515 5.0590 5.0590 5.1527 5.1527 5.1802 5.1802 5.8816 5.8816 9.0617 9.0617 9.3582 9.3582 10.0759 10.0759 14.1479 14.1479 k = 0.1917 0.1917-0.0000 ( 2484 PWs) bands (ev): -67.5408 -67.5408 -38.9752 -38.9752 -29.3146 -29.3146 -29.2801 -29.2801 -11.4786 -11.4786 -10.7898 -10.7898 -10.5867 -10.5867 2.1340 2.1340 2.7843 2.7843 3.4354 3.4354 3.6983 3.6983 4.4125 4.4125 5.0803 5.0803 5.1789 5.1789 5.2006 5.2006 5.8540 5.8540 8.9697 8.9697 9.2628 9.2628 9.9569 9.9569 14.1040 14.1040 k = 0.1833 0.1833-0.0000 ( 2484 PWs) bands (ev): -67.5409 -67.5409 -38.9747 -38.9747 -29.3111 -29.3111 -29.2791 -29.2791 -11.4983 -11.4983 -10.8141 -10.8141 -10.6216 -10.6216 2.2183 2.2183 2.8881 2.8881 3.5435 3.5435 3.7391 3.7391 4.4744 4.4744 5.1020 5.1020 5.2070 5.2070 5.2221 5.2221 5.8281 5.8281 8.8781 8.8781 9.1672 9.1672 9.8378 9.8378 14.0598 14.0598 k = 0.1750 0.1750-0.0000 ( 2480 PWs) bands (ev): -67.5409 -67.5409 -38.9741 -38.9741 -29.3076 -29.3076 -29.2782 -29.2782 -11.5186 -11.5186 -10.8365 -10.8365 -10.6552 -10.6552 2.2993 2.2993 2.9901 2.9901 3.6334 3.6334 3.7988 3.7988 4.5372 4.5372 5.1247 5.1247 5.2365 5.2365 5.2450 5.2450 5.8037 5.8037 8.7870 8.7870 9.0714 9.0714 9.7190 9.7190 14.0153 14.0153 k = 0.1667 0.1667-0.0000 ( 2484 PWs) bands (ev): -67.5410 -67.5410 -38.9736 -38.9736 -29.3042 -29.3042 -29.2772 -29.2772 -11.5394 -11.5394 -10.8572 -10.8572 -10.6874 -10.6874 2.3767 2.3767 3.0898 3.0898 3.6959 3.6959 3.8861 3.8861 4.6008 4.6008 5.1485 5.1485 5.2645 5.2645 5.2721 5.2721 5.7808 5.7808 8.6967 8.6967 8.9757 8.9757 9.6005 9.6005 13.9708 13.9708 k = 0.1583 0.1583-0.0000 ( 2472 PWs) bands (ev): -67.5410 -67.5410 -38.9731 -38.9731 -29.3009 -29.3009 -29.2763 -29.2763 -11.5605 -11.5605 -10.8760 -10.8760 -10.7183 -10.7183 2.4504 2.4504 3.1866 3.1866 3.7391 3.7391 3.9928 3.9928 4.6649 4.6649 5.1739 5.1739 5.2896 5.2896 5.3046 5.3046 5.7597 5.7597 8.6073 8.6073 8.8801 8.8801 9.4826 9.4826 13.9263 13.9263 k = 0.1500 0.1500-0.0000 ( 2470 PWs) bands (ev): -67.5410 -67.5410 -38.9727 -38.9727 -29.2977 -29.2977 -29.2755 -29.2755 -11.5818 -11.5818 -10.8932 -10.8932 -10.7478 -10.7478 2.5200 2.5200 3.2800 3.2800 3.7739 3.7739 4.1073 4.1073 4.7296 4.7296 5.2010 5.2010 5.3148 5.3148 5.3392 5.3392 5.7400 5.7400 8.5188 8.5188 8.7849 8.7849 9.3657 9.3657 13.8820 13.8820 k = 0.1417 0.1417-0.0000 ( 2476 PWs) bands (ev): -67.5411 -67.5411 -38.9722 -38.9722 -29.2946 -29.2946 -29.2746 -29.2746 -11.6031 -11.6031 -10.9088 -10.9088 -10.7758 -10.7758 2.5855 2.5855 3.3694 3.3694 3.8050 3.8050 4.2245 4.2245 4.7946 4.7946 5.2300 5.2300 5.3409 5.3409 5.3753 5.3753 5.7220 5.7220 8.4316 8.4316 8.6900 8.6900 9.2499 9.2499 13.8381 13.8381 k = 0.1333 0.1333-0.0000 ( 2480 PWs) bands (ev): -67.5411 -67.5411 -38.9718 -38.9718 -29.2917 -29.2917 -29.2738 -29.2738 -11.6241 -11.6241 -10.9230 -10.9230 -10.8024 -10.8024 2.6467 2.6467 3.4544 3.4544 3.8343 3.8343 4.3420 4.3420 4.8597 4.8597 5.2610 5.2610 5.3680 5.3680 5.4124 5.4124 5.7055 5.7055 8.3458 8.3458 8.5956 8.5956 9.1356 9.1356 13.7946 13.7946 k = 0.1250 0.1250-0.0000 ( 2472 PWs) bands (ev): -67.5411 -67.5411 -38.9714 -38.9714 -29.2889 -29.2889 -29.2731 -29.2731 -11.6447 -11.6447 -10.9357 -10.9357 -10.8275 -10.8275 2.7036 2.7036 3.5345 3.5345 3.8623 3.8623 4.4588 4.4588 4.9247 4.9247 5.2938 5.2938 5.3964 5.3964 5.4504 5.4504 5.6905 5.6905 8.2617 8.2617 8.5018 8.5018 9.0232 9.0232 13.7519 13.7519 k = 0.1167 0.1167-0.0000 ( 2484 PWs) bands (ev): -67.5412 -67.5412 -38.9710 -38.9710 -29.2863 -29.2863 -29.2724 -29.2724 -11.6647 -11.6647 -10.9472 -10.9472 -10.8511 -10.8511 2.7560 2.7560 3.6093 3.6093 3.8894 3.8894 4.5741 4.5741 4.9894 4.9894 5.3280 5.3280 5.4262 5.4262 5.4889 5.4889 5.6770 5.6770 8.1794 8.1794 8.4089 8.4089 8.9132 8.9132 13.7100 13.7100 k = 0.1083 0.1083-0.0000 ( 2484 PWs) bands (ev): -67.5412 -67.5412 -38.9707 -38.9707 -29.2837 -29.2837 -29.2717 -29.2717 -11.6841 -11.6841 -10.9575 -10.9575 -10.8732 -10.8732 2.8041 2.8041 3.6786 3.6786 3.9153 3.9153 4.6873 4.6873 5.0535 5.0535 5.3629 5.3629 5.4577 5.4577 5.5278 5.5278 5.6650 5.6650 8.0992 8.0992 8.3168 8.3168 8.8062 8.8062 13.6691 13.6691 k = 0.1000 0.1000-0.0000 ( 2490 PWs) bands (ev): -67.5412 -67.5412 -38.9703 -38.9703 -29.2814 -29.2814 -29.2711 -29.2711 -11.7026 -11.7026 -10.9667 -10.9667 -10.8937 -10.8937 2.8477 2.8477 3.7423 3.7423 3.9399 3.9399 4.7980 4.7980 5.1167 5.1167 5.3976 5.3976 5.4912 5.4912 5.5667 5.5667 5.6546 5.6546 8.0215 8.0215 8.2257 8.2257 8.7027 8.7027 13.6295 13.6295 k = 0.0917 0.0917-0.0000 ( 2490 PWs) bands (ev): -67.5413 -67.5413 -38.9700 -38.9700 -29.2792 -29.2792 -29.2705 -29.2705 -11.7200 -11.7200 -10.9748 -10.9748 -10.9127 -10.9127 2.8871 2.8871 3.8002 3.8002 3.9632 3.9632 4.9055 4.9055 5.1786 5.1786 5.4313 5.4313 5.5268 5.5268 5.6051 5.6051 5.6460 5.6460 7.9465 7.9465 8.1359 8.1359 8.6035 8.6035 13.5915 13.5915 k = 0.0833 0.0833-0.0000 ( 2490 PWs) bands (ev): -67.5413 -67.5413 -38.9697 -38.9697 -29.2771 -29.2771 -29.2699 -29.2699 -11.7364 -11.7364 -10.9821 -10.9821 -10.9301 -10.9301 2.9223 2.9223 3.8523 3.8523 3.9848 3.9848 5.0093 5.0093 5.2387 5.2387 5.4631 5.4631 5.5636 5.5636 5.6358 5.6358 5.6468 5.6468 7.8747 7.8747 8.0476 8.0476 8.5092 8.5092 13.5552 13.5552 k = 0.0750 0.0750-0.0000 ( 2494 PWs) bands (ev): -67.5413 -67.5413 -38.9695 -38.9695 -29.2753 -29.2753 -29.2694 -29.2694 -11.7515 -11.7515 -10.9884 -10.9884 -10.9459 -10.9459 2.9535 2.9535 3.8989 3.8989 4.0046 4.0046 5.1086 5.1086 5.2966 5.2966 5.4925 5.4925 5.5973 5.5973 5.6375 5.6375 5.6817 5.6817 7.8065 7.8065 7.9613 7.9613 8.4208 8.4208 13.5209 13.5209 k = 0.0667 0.0667-0.0000 ( 2502 PWs) bands (ev): -67.5413 -67.5413 -38.9692 -38.9692 -29.2736 -29.2736 -29.2690 -29.2690 -11.7652 -11.7652 -10.9940 -10.9940 -10.9600 -10.9600 2.9808 2.9808 3.9399 3.9399 4.0225 4.0225 5.2023 5.2023 5.3516 5.3516 5.5195 5.5195 5.6113 5.6113 5.6588 5.6588 5.7173 5.7173 7.7425 7.7425 7.8775 7.8775 8.3390 8.3390 13.4891 13.4891 k = 0.0583 0.0583-0.0000 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9690 -38.9690 -29.2722 -29.2722 -29.2686 -29.2686 -11.7776 -11.7776 -10.9987 -10.9987 -10.9725 -10.9725 3.0044 3.0044 3.9757 3.9757 4.0382 4.0382 5.2893 5.2893 5.4030 5.4030 5.5440 5.5440 5.6104 5.6104 5.6956 5.6956 5.7511 5.7511 7.6833 7.6833 7.7970 7.7970 8.2647 8.2647 13.4599 13.4599 k = 0.0500 0.0500-0.0000 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9688 -38.9688 -29.2709 -29.2709 -29.2682 -29.2682 -11.7884 -11.7884 -11.0028 -11.0028 -10.9834 -10.9834 3.0244 3.0244 4.0063 4.0063 4.0519 4.0519 5.3682 5.3682 5.4502 5.4502 5.5657 5.5657 5.6076 5.6076 5.7345 5.7345 5.7824 5.7824 7.6295 7.6295 7.7211 7.7211 8.1985 8.1985 13.4338 13.4338 k = 0.0417 0.0417-0.0000 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9687 -38.9687 -29.2698 -29.2698 -29.2679 -29.2679 -11.7977 -11.7977 -11.0062 -11.0062 -10.9926 -10.9926 3.0411 3.0411 4.0319 4.0319 4.0634 4.0634 5.4372 5.4372 5.4923 5.4923 5.5841 5.5841 5.6057 5.6057 5.7720 5.7720 5.8105 5.8105 7.5820 7.5820 7.6512 7.6512 8.1412 8.1412 13.4110 13.4110 k = 0.0333 0.0333-0.0000 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9686 -38.9686 -29.2688 -29.2688 -29.2677 -29.2677 -11.8054 -11.8054 -11.0089 -11.0089 -11.0002 -11.0002 3.0546 3.0546 4.0527 4.0527 4.0727 4.0727 5.4944 5.4944 5.5284 5.5284 5.5958 5.5958 5.6088 5.6088 5.8066 5.8066 5.8349 5.8349 7.5416 7.5416 7.5894 7.5894 8.0935 8.0935 13.3919 13.3919 k = 0.0250 0.0250-0.0000 ( 2509 PWs) bands (ev): -67.5414 -67.5414 -38.9685 -38.9685 -29.2681 -29.2681 -29.2675 -29.2675 -11.8114 -11.8114 -11.0110 -11.0110 -11.0061 -11.0061 3.0649 3.0649 4.0687 4.0687 4.0799 4.0799 5.5381 5.5381 5.5576 5.5576 5.5978 5.5978 5.6201 5.6201 5.8368 5.8368 5.8547 5.8547 7.5091 7.5091 7.5377 7.5377 8.0557 8.0557 13.3768 13.3768 k = 0.0167 0.0167-0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2676 -29.2676 -29.2674 -29.2674 -11.8157 -11.8157 -11.0125 -11.0125 -11.0103 -11.0103 3.0722 3.0722 4.0801 4.0801 4.0850 4.0850 5.5673 5.5673 5.5781 5.5781 5.5991 5.5991 5.6317 5.6317 5.8606 5.8606 5.8693 5.8693 7.4852 7.4852 7.4985 7.4985 8.0284 8.0284 13.3658 13.3658 k = 0.0083 0.0083-0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2673 -29.2673 -29.2673 -29.2673 -11.8183 -11.8183 -11.0134 -11.0134 -11.0128 -11.0128 3.0765 3.0765 4.0869 4.0869 4.0881 4.0881 5.5835 5.5835 5.5870 5.5870 5.6033 5.6033 5.6404 5.6404 5.8760 5.8760 5.8783 5.8783 7.4705 7.4705 7.4740 7.4740 8.0119 8.0119 13.3591 13.3591 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2672 -29.2672 -29.2672 -29.2672 -11.8191 -11.8191 -11.0137 -11.0137 -11.0137 -11.0137 3.0780 3.0780 4.0891 4.0891 4.0891 4.0891 5.5887 5.5887 5.5887 5.5887 5.6059 5.6059 5.6436 5.6436 5.8814 5.8814 5.8814 5.8814 7.4656 7.4656 7.4656 7.4656 8.0064 8.0064 13.3569 13.3569 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2672 -29.2672 -29.2672 -29.2672 -11.8191 -11.8191 -11.0137 -11.0137 -11.0137 -11.0137 3.0780 3.0780 4.0891 4.0891 4.0891 4.0891 5.5887 5.5887 5.5887 5.5887 5.6059 5.6059 5.6436 5.6436 5.8814 5.8814 5.8814 5.8814 7.4656 7.4656 7.4656 7.4656 8.0064 8.0064 13.3569 13.3569 k = 0.0068 0.0068 0.0068 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2673 -29.2673 -29.2673 -29.2673 -11.8183 -11.8183 -11.0132 -11.0132 -11.0130 -11.0130 3.0765 3.0765 4.0871 4.0871 4.0879 4.0879 5.5834 5.5834 5.5870 5.5870 5.6033 5.6033 5.6403 5.6403 5.8767 5.8767 5.8775 5.8775 7.4718 7.4718 7.4730 7.4730 8.0120 8.0120 13.3613 13.3615 k = 0.0137 0.0137 0.0137 ( 2517 PWs) bands (ev): -67.5414 -67.5414 -38.9684 -38.9684 -29.2675 -29.2675 -29.2675 -29.2675 -11.8156 -11.8156 -11.0117 -11.0117 -11.0110 -11.0110 3.0721 3.0721 4.0809 4.0809 4.0841 4.0841 5.5675 5.5675 5.5769 5.5769 5.5998 5.5998 5.6314 5.6314 5.8630 5.8630 5.8664 5.8664 7.4899 7.4899 7.4946 7.4946 8.0286 8.0286 13.3743 13.3751 k = 0.0205 0.0205 0.0205 ( 2511 PWs) bands (ev): -67.5414 -67.5414 -38.9685 -38.9685 -29.2678 -29.2678 -29.2678 -29.2678 -11.8112 -11.8112 -11.0092 -11.0092 -11.0078 -11.0078 3.0648 3.0648 4.0705 4.0705 4.0777 4.0777 5.5412 5.5412 5.5522 5.5522 5.6002 5.6002 5.6187 5.6187 5.8409 5.8409 5.8491 5.8491 7.5194 7.5194 7.5297 7.5297 8.0558 8.0558 13.3964 13.3983 k = 0.0274 0.0274 0.0274 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9686 -38.9686 -29.2683 -29.2683 -29.2683 -29.2683 -11.8051 -11.8051 -11.0057 -11.0057 -11.0032 -11.0032 3.0545 3.0545 4.0561 4.0561 4.0686 4.0686 5.5045 5.5045 5.5146 5.5146 5.5989 5.5989 5.6066 5.6066 5.8118 5.8118 5.8270 5.8270 7.5591 7.5591 7.5767 7.5767 8.0929 8.0929 13.4259 13.4259 k = 0.0342 0.0342 0.0342 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9687 -38.9687 -29.2689 -29.2689 -29.2688 -29.2688 -11.7972 -11.7972 -11.0012 -11.0012 -10.9973 -10.9973 3.0413 3.0413 4.0376 4.0376 4.0565 4.0565 5.4581 5.4581 5.4665 5.4665 5.5804 5.5804 5.6090 5.6090 5.7772 5.7772 5.8017 5.8017 7.6079 7.6079 7.6341 7.6341 8.1391 8.1391 13.4642 13.4642 k = 0.0411 0.0411 0.0411 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9689 -38.9689 -29.2696 -29.2696 -29.2696 -29.2696 -11.7876 -11.7876 -10.9958 -10.9958 -10.9902 -10.9902 3.0250 3.0250 4.0150 4.0150 4.0414 4.0414 5.4025 5.4025 5.4094 5.4094 5.5546 5.5546 5.6145 5.6145 5.7394 5.7394 5.7743 5.7743 7.6644 7.6644 7.7003 7.7003 8.1935 8.1935 13.5106 13.5106 k = 0.0479 0.0479 0.0479 ( 2505 PWs) bands (ev): -67.5414 -67.5414 -38.9690 -38.9690 -29.2704 -29.2704 -29.2704 -29.2704 -11.7763 -11.7763 -10.9893 -10.9893 -10.9818 -10.9818 3.0057 3.0057 3.9883 3.9883 4.0229 4.0229 5.3390 5.3390 5.3450 5.3450 5.5215 5.5215 5.6213 5.6213 5.7014 5.7014 5.7459 5.7459 7.7276 7.7276 7.7738 7.7738 8.2552 8.2552 13.5648 13.5648 k = 0.0548 0.0548 0.0548 ( 2499 PWs) bands (ev): -67.5413 -67.5413 -38.9692 -38.9692 -29.2714 -29.2714 -29.2713 -29.2713 -11.7633 -11.7633 -10.9819 -10.9819 -10.9720 -10.9720 2.9835 2.9835 3.9578 3.9578 4.0008 4.0008 5.2685 5.2685 5.2743 5.2743 5.4794 5.4794 5.6292 5.6292 5.6657 5.6657 5.7173 5.7173 7.7964 7.7964 7.8535 7.8535 8.3232 8.3232 13.6266 13.6266 k = 0.0616 0.0616 0.0616 ( 2493 PWs) bands (ev): -67.5413 -67.5413 -38.9695 -38.9695 -29.2725 -29.2725 -29.2724 -29.2724 -11.7485 -11.7485 -10.9735 -10.9735 -10.9611 -10.9611 2.9582 2.9582 3.9233 3.9233 3.9750 3.9750 5.1920 5.1920 5.1984 5.1984 5.4278 5.4278 5.6342 5.6342 5.6381 5.6381 5.6890 5.6890 7.8698 7.8698 7.9381 7.9381 8.3968 8.3968 13.6955 13.6955 k = 0.0685 0.0685 0.0685 ( 2493 PWs) bands (ev): -67.5413 -67.5413 -38.9698 -38.9698 -29.2737 -29.2737 -29.2736 -29.2736 -11.7321 -11.7321 -10.9641 -10.9641 -10.9488 -10.9488 2.9299 2.9299 3.8850 3.8850 3.9450 3.9450 5.1106 5.1106 5.1182 5.1182 5.3673 5.3673 5.6073 5.6073 5.6481 5.6481 5.6617 5.6617 7.9471 7.9471 8.0268 8.0268 8.4751 8.4751 13.7713 13.7713 k = 0.0753 0.0753 0.0753 ( 2493 PWs) bands (ev): -67.5413 -67.5413 -38.9701 -38.9701 -29.2751 -29.2751 -29.2749 -29.2749 -11.7141 -11.7141 -10.9538 -10.9538 -10.9353 -10.9353 2.8986 2.8986 3.8430 3.8430 3.9108 3.9108 5.0249 5.0249 5.0344 5.0344 5.2995 5.2995 5.5843 5.5843 5.6359 5.6359 5.6591 5.6591 8.0275 8.0275 8.1189 8.1189 8.5576 8.5576 13.8537 13.8537 k = 0.0822 0.0822 0.0822 ( 2481 PWs) bands (ev): -67.5412 -67.5412 -38.9704 -38.9704 -29.2765 -29.2765 -29.2763 -29.2763 -11.6944 -11.6944 -10.9424 -10.9424 -10.9206 -10.9206 2.8644 2.8644 3.7975 3.7975 3.8722 3.8722 4.9357 4.9357 4.9476 4.9476 5.2257 5.2257 5.5649 5.5649 5.6122 5.6122 5.6712 5.6712 8.1106 8.1106 8.2137 8.2137 8.6437 8.6437 13.9423 13.9423 k = 0.0890 0.0890 0.0890 ( 2478 PWs) bands (ev): -67.5412 -67.5412 -38.9707 -38.9707 -29.2781 -29.2781 -29.2779 -29.2779 -11.6731 -11.6731 -10.9302 -10.9302 -10.9046 -10.9046 2.8272 2.8272 3.7485 3.7485 3.8289 3.8289 4.8433 4.8433 4.8583 4.8583 5.1471 5.1471 5.5485 5.5485 5.5910 5.5910 5.6842 5.6842 8.1959 8.1959 8.3107 8.3107 8.7329 8.7329 14.0366 14.0366 k = 0.0959 0.0959 0.0959 ( 2478 PWs) bands (ev): -67.5412 -67.5412 -38.9711 -38.9711 -29.2798 -29.2798 -29.2795 -29.2795 -11.6503 -11.6503 -10.9170 -10.9170 -10.8875 -10.8875 2.7872 2.7872 3.6961 3.6961 3.7811 3.7811 4.7484 4.7484 4.7670 4.7670 5.0645 5.0645 5.5349 5.5349 5.5727 5.5727 5.6982 5.6982 8.2831 8.2831 8.4096 8.4096 8.8246 8.8246 14.1364 14.1364 k = 0.1027 0.1027 0.1027 ( 2475 PWs) bands (ev): -67.5411 -67.5411 -38.9715 -38.9715 -29.2815 -29.2815 -29.2813 -29.2813 -11.6259 -11.6259 -10.9028 -10.9028 -10.8691 -10.8691 2.7444 2.7444 3.6408 3.6408 3.7287 3.7287 4.6513 4.6513 4.6739 4.6739 4.9786 4.9786 5.5241 5.5241 5.5576 5.5576 5.7131 5.7131 8.3718 8.3718 8.5099 8.5099 8.9186 8.9186 14.2414 14.2414 k = 0.1096 0.1096 0.1096 ( 2475 PWs) bands (ev): -67.5411 -67.5411 -38.9719 -38.9719 -29.2834 -29.2834 -29.2832 -29.2832 -11.5999 -11.5999 -10.8877 -10.8877 -10.8496 -10.8496 2.6988 2.6988 3.5825 3.5825 3.6717 3.6717 4.5523 4.5523 4.5795 4.5795 4.8899 4.8899 5.5160 5.5160 5.5459 5.5459 5.7290 5.7290 8.4619 8.4619 8.6114 8.6114 9.0145 9.0145 14.3511 14.3511 k = 0.1164 0.1164 0.1164 ( 2475 PWs) bands (ev): -67.5411 -67.5411 -38.9724 -38.9724 -29.2854 -29.2854 -29.2851 -29.2851 -11.5725 -11.5725 -10.8717 -10.8717 -10.8289 -10.8289 2.6506 2.6506 3.5215 3.5215 3.6104 3.6104 4.4518 4.4518 4.4840 4.4840 4.7986 4.7986 5.5108 5.5108 5.5378 5.5378 5.7457 5.7457 8.5531 8.5531 8.7138 8.7138 9.1120 9.1120 14.4652 14.4652 k = 0.1233 0.1233 0.1233 ( 2478 PWs) bands (ev): -67.5410 -67.5410 -38.9728 -38.9728 -29.2875 -29.2875 -29.2872 -29.2872 -11.5437 -11.5437 -10.8548 -10.8548 -10.8072 -10.8072 2.5999 2.5999 3.4581 3.4581 3.5449 3.5449 4.3501 4.3501 4.3877 4.3877 4.7052 4.7052 5.5083 5.5083 5.5332 5.5332 5.7633 5.7633 8.6452 8.6452 8.8169 8.8169 9.2108 9.2108 14.5833 14.5833 k = 0.1301 0.1301 0.1301 ( 2484 PWs) bands (ev): -67.5410 -67.5410 -38.9734 -38.9734 -29.2898 -29.2898 -29.2893 -29.2893 -11.5134 -11.5134 -10.8369 -10.8369 -10.7842 -10.7842 2.5468 2.5468 3.3924 3.3924 3.4754 3.4754 4.2474 4.2474 4.2908 4.2908 4.6099 4.6099 5.5087 5.5087 5.5321 5.5321 5.7818 5.7818 8.7381 8.7381 8.9206 8.9206 9.3108 9.3108 14.7049 14.7049 k = 0.1370 0.1370 0.1370 ( 2481 PWs) bands (ev): -67.5409 -67.5409 -38.9739 -38.9739 -29.2920 -29.2920 -29.2916 -29.2916 -11.4818 -11.4818 -10.8181 -10.8181 -10.7602 -10.7602 2.4915 2.4915 3.3249 3.3249 3.4022 3.4022 4.1442 4.1442 4.1936 4.1936 4.5129 4.5129 5.5118 5.5118 5.5345 5.5345 5.8011 5.8011 8.8318 8.8318 9.0246 9.0246 9.4117 9.4117 14.8178 14.8178 k = 0.1438 0.1438 0.1438 ( 2469 PWs) bands (ev): -67.5409 -67.5409 -38.9744 -38.9744 -29.2943 -29.2943 -29.2939 -29.2939 -11.4489 -11.4489 -10.7985 -10.7985 -10.7351 -10.7351 2.4339 2.4339 3.2557 3.2557 3.3254 3.3254 4.0406 4.0406 4.0962 4.0962 4.4144 4.4144 5.5177 5.5177 5.5403 5.5403 5.8213 5.8213 8.9260 8.9260 9.1289 9.1289 9.5133 9.5133 14.9067 14.9067 k = 0.1507 0.1507 0.1507 ( 2469 PWs) bands (ev): -67.5408 -67.5408 -38.9749 -38.9749 -29.2968 -29.2968 -29.2963 -29.2963 -11.4147 -11.4147 -10.7779 -10.7779 -10.7090 -10.7090 2.3743 2.3743 3.1850 3.1850 3.2454 3.2454 3.9370 3.9370 3.9989 3.9989 4.3145 4.3145 5.5263 5.5263 5.5491 5.5491 5.8422 5.8422 9.0208 9.0208 9.2333 9.2333 9.6156 9.6156 14.9968 14.9968 k = 0.1575 0.1575 0.1575 ( 2479 PWs) bands (ev): -67.5408 -67.5408 -38.9755 -38.9755 -29.2993 -29.2993 -29.2987 -29.2987 -11.3794 -11.3794 -10.7564 -10.7564 -10.6819 -10.6819 2.3126 2.3126 3.1132 3.1132 3.1623 3.1623 3.8337 3.8337 3.9017 3.9017 4.2134 4.2134 5.5374 5.5374 5.5610 5.5610 5.8638 5.8638 9.1160 9.1160 9.3376 9.3376 9.7183 9.7183 15.0887 15.0887 k = 0.1644 0.1644 0.1644 ( 2479 PWs) bands (ev): -67.5408 -67.5408 -38.9761 -38.9761 -29.3019 -29.3019 -29.3013 -29.3013 -11.3428 -11.3428 -10.7341 -10.7341 -10.6538 -10.6538 2.2492 2.2492 3.0404 3.0404 3.0763 3.0763 3.7309 3.7309 3.8050 3.8050 4.1114 4.1114 5.5511 5.5511 5.5756 5.5756 5.8861 5.8861 9.2116 9.2116 9.4418 9.4418 9.8213 9.8213 15.1822 15.1822 k = 0.1712 0.1712 0.1712 ( 2479 PWs) bands (ev): -67.5407 -67.5407 -38.9767 -38.9767 -29.3045 -29.3045 -29.3039 -29.3039 -11.3053 -11.3053 -10.7109 -10.7109 -10.6248 -10.6248 2.1840 2.1840 2.9669 2.9669 2.9877 2.9877 3.6291 3.6291 3.7088 3.7088 4.0085 4.0085 5.5671 5.5671 5.5929 5.5929 5.9091 5.9091 9.3076 9.3076 9.5458 9.5458 9.9246 9.9246 15.2768 15.2768 k = 0.1781 0.1781 0.1781 ( 2479 PWs) bands (ev): -67.5407 -67.5407 -38.9773 -38.9773 -29.3072 -29.3072 -29.3065 -29.3065 -11.2667 -11.2667 -10.6868 -10.6868 -10.5948 -10.5948 2.1171 2.1171 2.8930 2.8930 2.8965 2.8965 3.5283 3.5283 3.6132 3.6132 3.9049 3.9049 5.5855 5.5855 5.6126 5.6126 5.9328 5.9328 9.4038 9.4038 9.6495 9.6495 10.0279 10.0279 15.3724 15.3724 k = 0.1849 0.1849 0.1849 ( 2485 PWs) bands (ev): -67.5406 -67.5406 -38.9780 -38.9780 -29.3100 -29.3100 -29.3093 -29.3093 -11.2271 -11.2271 -10.6618 -10.6618 -10.5639 -10.5639 2.0487 2.0487 2.8031 2.8031 2.8187 2.8187 3.4289 3.4289 3.5185 3.5185 3.8007 3.8007 5.6060 5.6060 5.6345 5.6345 5.9571 5.9571 9.5003 9.5003 9.7528 9.7528 10.1312 10.1312 15.4685 15.4685 k = 0.1918 0.1918 0.1918 ( 2485 PWs) bands (ev): -67.5406 -67.5406 -38.9786 -38.9786 -29.3127 -29.3127 -29.3120 -29.3120 -11.1867 -11.1867 -10.6359 -10.6359 -10.5322 -10.5322 1.9788 1.9788 2.7075 2.7075 2.7445 2.7445 3.3311 3.3311 3.4248 3.4248 3.6961 3.6961 5.6286 5.6286 5.6585 5.6585 5.9819 5.9819 9.5971 9.5971 9.8557 9.8557 10.2344 10.2344 15.5649 15.5649 k = 0.1986 0.1986 0.1986 ( 2473 PWs) bands (ev): -67.5405 -67.5405 -38.9793 -38.9793 -29.3156 -29.3156 -29.3148 -29.3148 -11.1455 -11.1455 -10.6092 -10.6092 -10.4997 -10.4997 1.9076 1.9076 2.6100 2.6100 2.6704 2.6704 3.2351 3.2351 3.3322 3.3322 3.5914 3.5914 5.6531 5.6531 5.6844 5.6844 6.0073 6.0073 9.6940 9.6940 9.9580 9.9580 10.3375 10.3375 15.6610 15.6610 k = 0.2055 0.2055 0.2055 ( 2470 PWs) bands (ev): -67.5404 -67.5404 -38.9799 -38.9799 -29.3184 -29.3184 -29.3177 -29.3177 -11.1037 -11.1037 -10.5815 -10.5815 -10.4664 -10.4664 1.8351 1.8351 2.5108 2.5108 2.5965 2.5965 3.1409 3.1409 3.2407 3.2407 3.4866 3.4866 5.6795 5.6795 5.7120 5.7120 6.0332 6.0332 9.7910 9.7910 10.0597 10.0597 10.4402 10.4402 15.7564 15.7564 k = 0.2123 0.2123 0.2123 ( 2473 PWs) bands (ev): -67.5404 -67.5404 -38.9806 -38.9806 -29.3213 -29.3213 -29.3205 -29.3205 -11.0613 -11.0613 -10.5530 -10.5530 -10.4324 -10.4324 1.7614 1.7614 2.4100 2.4100 2.5231 2.5231 3.0488 3.0488 3.1506 3.1506 3.3819 3.3819 5.7074 5.7074 5.7412 5.7412 6.0595 6.0595 9.8882 9.8882 10.1608 10.1608 10.5426 10.5426 15.8507 15.8507 k = 0.2192 0.2192 0.2192 ( 2470 PWs) bands (ev): -67.5403 -67.5403 -38.9813 -38.9813 -29.3242 -29.3242 -29.3234 -29.3234 -11.0184 -11.0184 -10.5236 -10.5236 -10.3977 -10.3977 1.6867 1.6867 2.3080 2.3080 2.4504 2.4504 2.9587 2.9587 3.0617 3.0617 3.2774 3.2774 5.7370 5.7370 5.7719 5.7719 6.0862 6.0862 9.9854 9.9854 10.2610 10.2610 10.6446 10.6446 15.9434 15.9434 k = 0.2260 0.2260 0.2260 ( 2476 PWs) bands (ev): -67.5403 -67.5403 -38.9820 -38.9820 -29.3272 -29.3272 -29.3264 -29.3264 -10.9751 -10.9751 -10.4933 -10.4933 -10.3624 -10.3624 1.6110 1.6110 2.2048 2.2048 2.3782 2.3782 2.8708 2.8708 2.9744 2.9744 3.1735 3.1735 5.7680 5.7680 5.8038 5.8038 6.1133 6.1133 10.0826 10.0826 10.3605 10.3605 10.7460 10.7460 16.0340 16.0340 k = 0.2329 0.2329 0.2329 ( 2482 PWs) bands (ev): -67.5402 -67.5402 -38.9827 -38.9827 -29.3301 -29.3301 -29.3293 -29.3293 -10.9316 -10.9316 -10.4621 -10.4621 -10.3265 -10.3265 1.5345 1.5345 2.1009 2.1009 2.3069 2.3069 2.7851 2.7851 2.8885 2.8885 3.0703 3.0703 5.8002 5.8002 5.8370 5.8370 6.1407 6.1407 10.1797 10.1797 10.4591 10.4591 10.8469 10.8469 16.1219 16.1219 k = 0.2397 0.2397 0.2397 ( 2470 PWs) bands (ev): -67.5402 -67.5402 -38.9833 -38.9833 -29.3331 -29.3331 -29.3323 -29.3323 -10.8879 -10.8879 -10.4299 -10.4299 -10.2900 -10.2900 1.4572 1.4572 1.9965 1.9965 2.2363 2.2363 2.7016 2.7016 2.8041 2.8041 2.9680 2.9680 5.8338 5.8338 5.8712 5.8712 6.1684 6.1684 10.2768 10.2768 10.5567 10.5567 10.9471 10.9471 16.2065 16.2065 k = 0.2466 0.2466 0.2466 ( 2470 PWs) bands (ev): -67.5401 -67.5401 -38.9840 -38.9840 -29.3360 -29.3360 -29.3352 -29.3352 -10.8442 -10.8442 -10.3968 -10.3968 -10.2531 -10.2531 1.3794 1.3794 1.8917 1.8917 2.1665 2.1665 2.6202 2.6202 2.7212 2.7212 2.8671 2.8671 5.8683 5.8683 5.9063 5.9063 6.1963 6.1963 10.3738 10.3738 10.6533 10.6533 11.0466 11.0466 16.2871 16.2871 k = 0.2534 0.2534 0.2534 ( 2470 PWs) bands (ev): -67.5401 -67.5401 -38.9847 -38.9847 -29.3390 -29.3390 -29.3382 -29.3382 -10.8006 -10.8006 -10.3628 -10.3628 -10.2157 -10.2157 1.3011 1.3011 1.7869 1.7869 2.0976 2.0976 2.5410 2.5410 2.6397 2.6397 2.7677 2.7677 5.9039 5.9039 5.9422 5.9422 6.2244 6.2244 10.4705 10.4705 10.7488 10.7488 11.1452 11.1452 16.3632 16.3632 k = 0.2603 0.2603 0.2603 ( 2476 PWs) bands (ev): -67.5400 -67.5400 -38.9854 -38.9854 -29.3419 -29.3419 -29.3411 -29.3411 -10.7573 -10.7573 -10.3278 -10.3278 -10.1779 -10.1779 1.2224 1.2224 1.6822 1.6822 2.0293 2.0293 2.4639 2.4639 2.5594 2.5594 2.6705 2.6705 5.9402 5.9402 5.9788 5.9788 6.2525 6.2525 10.5669 10.5669 10.8432 10.8432 11.2430 11.2430 16.4338 16.4338 k = 0.2671 0.2671 0.2671 ( 2470 PWs) bands (ev): -67.5400 -67.5400 -38.9861 -38.9861 -29.3449 -29.3449 -29.3441 -29.3441 -10.7144 -10.7144 -10.2918 -10.2918 -10.1399 -10.1399 1.1437 1.1437 1.5779 1.5779 1.9618 1.9618 2.3889 2.3889 2.4801 2.4801 2.5759 2.5759 5.9773 5.9773 6.0160 6.0160 6.2808 6.2808 10.6630 10.6630 10.9364 10.9364 11.3399 11.3399 16.4985 16.4985 k = 0.2740 0.2740 0.2740 ( 2470 PWs) bands (ev): -67.5399 -67.5399 -38.9868 -38.9868 -29.3478 -29.3478 -29.3470 -29.3470 -10.6719 -10.6719 -10.2549 -10.2549 -10.1016 -10.1016 1.0649 1.0649 1.4743 1.4743 1.8947 1.8947 2.3161 2.3161 2.4014 2.4014 2.4849 2.4849 6.0150 6.0150 6.0536 6.0536 6.3091 6.3091 10.7587 10.7587 11.0282 11.0282 11.4357 11.4357 16.5563 16.5563 k = 0.2808 0.2808 0.2808 ( 2482 PWs) bands (ev): -67.5399 -67.5399 -38.9875 -38.9875 -29.3507 -29.3507 -29.3499 -29.3499 -10.6301 -10.6301 -10.2170 -10.2170 -10.0631 -10.0631 0.9862 0.9862 1.3714 1.3714 1.8280 1.8280 2.2453 2.2453 2.3225 2.3225 2.3983 2.3983 6.0531 6.0531 6.0916 6.0916 6.3374 6.3374 10.8538 10.8538 11.1187 11.1187 11.5303 11.5303 16.6066 16.6066 k = 0.2877 0.2877 0.2877 ( 2482 PWs) bands (ev): -67.5398 -67.5398 -38.9882 -38.9882 -29.3536 -29.3536 -29.3528 -29.3528 -10.5890 -10.5890 -10.1782 -10.1782 -10.0244 -10.0244 0.9079 0.9079 1.2695 1.2695 1.7614 1.7614 2.1766 2.1766 2.2433 2.2433 2.3168 2.3168 6.0917 6.0917 6.1299 6.1299 6.3656 6.3656 10.9483 10.9483 11.2078 11.2078 11.6239 11.6239 16.6487 16.6487 k = 0.2945 0.2945 0.2945 ( 2473 PWs) bands (ev): -67.5397 -67.5397 -38.9888 -38.9888 -29.3564 -29.3564 -29.3556 -29.3556 -10.5488 -10.5488 -10.1385 -10.1385 -9.9858 -9.9858 0.8301 0.8301 1.1689 1.1689 1.6948 1.6948 2.1100 2.1100 2.1641 2.1641 2.2406 2.2406 6.1305 6.1305 6.1683 6.1683 6.3937 6.3937 11.0422 11.0422 11.2954 11.2954 11.7161 11.7161 16.6822 16.6822 k = 0.3014 0.3014 0.3014 ( 2473 PWs) bands (ev): -67.5397 -67.5397 -38.9895 -38.9895 -29.3591 -29.3591 -29.3584 -29.3584 -10.5094 -10.5094 -10.0981 -10.0981 -9.9471 -9.9471 0.7529 0.7529 1.0697 1.0697 1.6279 1.6279 2.0455 2.0455 2.0856 2.0856 2.1691 2.1691 6.1694 6.1694 6.2067 6.2067 6.4215 6.4215 11.1351 11.1351 11.3814 11.3814 11.8071 11.8071 16.7067 16.7067 k = 0.3082 0.3082 0.3082 ( 2473 PWs) bands (ev): -67.5396 -67.5396 -38.9901 -38.9901 -29.3619 -29.3619 -29.3612 -29.3612 -10.4711 -10.4711 -10.0569 -10.0569 -9.9086 -9.9086 0.6766 0.6766 0.9720 0.9720 1.5605 1.5605 1.9831 1.9831 2.0091 2.0091 2.1016 2.1016 6.2084 6.2084 6.2451 6.2451 6.4491 6.4491 11.2272 11.2272 11.4657 11.4657 11.8965 11.8965 16.7220 16.7220 k = 0.3151 0.3151 0.3151 ( 2473 PWs) bands (ev): -67.5396 -67.5396 -38.9908 -38.9908 -29.3646 -29.3646 -29.3639 -29.3639 -10.4337 -10.4337 -10.0151 -10.0151 -9.8702 -9.8702 0.6011 0.6011 0.8760 0.8760 1.4924 1.4924 1.9227 1.9227 1.9356 1.9356 2.0375 2.0375 6.2474 6.2474 6.2833 6.2833 6.4764 6.4764 11.3182 11.3182 11.5483 11.5483 11.9845 11.9845 16.7282 16.7282 k = 0.3219 0.3219 0.3219 ( 2473 PWs) bands (ev): -67.5395 -67.5395 -38.9914 -38.9914 -29.3672 -29.3672 -29.3665 -29.3665 -10.3975 -10.3975 -9.9729 -9.9729 -9.8321 -9.8321 0.5269 0.5269 0.7818 0.7818 1.4236 1.4236 1.8644 1.8644 1.8656 1.8656 1.9763 1.9763 6.2861 6.2861 6.3213 6.3213 6.5034 6.5034 11.4080 11.4080 11.6291 11.6291 12.0709 12.0709 16.7256 16.7256 k = 0.3288 0.3288 0.3288 ( 2485 PWs) bands (ev): -67.5395 -67.5395 -38.9920 -38.9920 -29.3698 -29.3698 -29.3692 -29.3692 -10.3624 -10.3624 -9.9303 -9.9303 -9.7943 -9.7943 0.4538 0.4538 0.6897 0.6897 1.3540 1.3540 1.7994 1.7994 1.8082 1.8082 1.9178 1.9178 6.3245 6.3245 6.3588 6.3588 6.5299 6.5299 11.4964 11.4964 11.7080 11.7080 12.1555 12.1555 16.7148 16.7148 k = 0.3356 0.3356 0.3356 ( 2485 PWs) bands (ev): -67.5395 -67.5395 -38.9926 -38.9926 -29.3723 -29.3723 -29.3717 -29.3717 -10.3284 -10.3284 -9.8875 -9.8875 -9.7570 -9.7570 0.3823 0.3823 0.5998 0.5998 1.2839 1.2839 1.7374 1.7374 1.7541 1.7541 1.8618 1.8618 6.3625 6.3625 6.3959 6.3959 6.5559 6.5559 11.5834 11.5834 11.7848 11.7848 12.2384 12.2384 16.6964 16.6964 k = 0.3425 0.3425 0.3425 ( 2467 PWs) bands (ev): -67.5394 -67.5394 -38.9932 -38.9932 -29.3747 -29.3747 -29.3742 -29.3742 -10.2956 -10.2956 -9.8446 -9.8446 -9.7202 -9.7202 0.3123 0.3123 0.5123 0.5123 1.2136 1.2136 1.6794 1.6794 1.7021 1.7021 1.8084 1.8084 6.4001 6.4001 6.4325 6.4325 6.5815 6.5815 11.6687 11.6687 11.8596 11.8596 12.3194 12.3194 16.6715 16.6715 k = 0.3493 0.3493 0.3493 ( 2461 PWs) bands (ev): -67.5393 -67.5393 -38.9937 -38.9937 -29.3770 -29.3770 -29.3766 -29.3766 -10.2640 -10.2640 -9.8019 -9.8019 -9.6839 -9.6839 0.2441 0.2441 0.4272 0.4272 1.1432 1.1432 1.6253 1.6253 1.6523 1.6523 1.7574 1.7574 6.4370 6.4370 6.4684 6.4684 6.6064 6.6064 11.7523 11.7523 11.9322 11.9322 12.3983 12.3983 16.6408 16.6408 k = 0.3562 0.3562 0.3562 ( 2461 PWs) bands (ev): -67.5393 -67.5393 -38.9942 -38.9942 -29.3793 -29.3793 -29.3789 -29.3789 -10.2335 -10.2335 -9.7595 -9.7595 -9.6484 -9.6484 0.1777 0.1777 0.3446 0.3446 1.0733 1.0733 1.5749 1.5749 1.6045 1.6045 1.7087 1.7087 6.4731 6.4731 6.5035 6.5035 6.6307 6.6307 11.8338 11.8338 12.0026 12.0026 12.4751 12.4751 16.6055 16.6055 k = 0.3630 0.3630 0.3630 ( 2455 PWs) bands (ev): -67.5392 -67.5392 -38.9948 -38.9948 -29.3815 -29.3815 -29.3811 -29.3811 -10.2042 -10.2042 -9.7176 -9.7176 -9.6137 -9.6137 0.1133 0.1133 0.2649 0.2649 1.0042 1.0042 1.5280 1.5280 1.5588 1.5588 1.6624 1.6624 6.5084 6.5084 6.5377 6.5377 6.6543 6.6543 11.9133 11.9133 12.0705 12.0705 12.5497 12.5497 16.5665 16.5665 k = 0.3699 0.3699 0.3699 ( 2461 PWs) bands (ev): -67.5392 -67.5392 -38.9953 -38.9953 -29.3837 -29.3837 -29.3833 -29.3833 -10.1762 -10.1762 -9.6763 -9.6763 -9.5798 -9.5798 0.0511 0.0511 0.1880 0.1880 0.9363 0.9363 1.4844 1.4844 1.5153 1.5153 1.6184 1.6184 6.5427 6.5427 6.5709 6.5709 6.6772 6.6772 11.9904 11.9904 12.1360 12.1360 12.6219 12.6219 16.5247 16.5247 k = 0.3767 0.3767 0.3767 ( 2458 PWs) bands (ev): -67.5392 -67.5392 -38.9958 -38.9958 -29.3857 -29.3857 -29.3854 -29.3854 -10.1493 -10.1493 -9.6359 -9.6359 -9.5469 -9.5469 -0.0089 -0.0089 0.1141 0.1141 0.8699 0.8699 1.4438 1.4438 1.4740 1.4740 1.5768 1.5768 6.5760 6.5760 6.6031 6.6031 6.6993 6.6993 12.0650 12.0650 12.1990 12.1990 12.6916 12.6916 16.4811 16.4811 k = 0.3836 0.3836 0.3836 ( 2458 PWs) bands (ev): -67.5391 -67.5391 -38.9962 -38.9962 -29.3877 -29.3877 -29.3873 -29.3873 -10.1237 -10.1237 -9.5965 -9.5965 -9.5151 -9.5151 -0.0664 -0.0664 0.0434 0.0434 0.8055 0.8055 1.4060 1.4060 1.4348 1.4348 1.5375 1.5375 6.6081 6.6081 6.6342 6.6342 6.7205 6.7205 12.1370 12.1370 12.2593 12.2593 12.7587 12.7587 16.4365 16.4365 k = 0.3904 0.3904 0.3904 ( 2464 PWs) bands (ev): -67.5391 -67.5391 -38.9967 -38.9967 -29.3895 -29.3895 -29.3892 -29.3892 -10.0994 -10.0994 -9.5582 -9.5582 -9.4845 -9.4845 -0.1215 -0.1215 -0.0241 -0.0241 0.7433 0.7433 1.3709 1.3709 1.3978 1.3978 1.5006 1.5006 6.6390 6.6390 6.6640 6.6640 6.7408 6.7408 12.2061 12.2061 12.3168 12.3168 12.8230 12.8230 16.3915 16.3915 k = 0.3973 0.3973 0.3973 ( 2464 PWs) bands (ev): -67.5391 -67.5391 -38.9971 -38.9971 -29.3913 -29.3913 -29.3910 -29.3910 -10.0763 -10.0763 -9.5213 -9.5213 -9.4552 -9.4552 -0.1739 -0.1739 -0.0882 -0.0882 0.6836 0.6836 1.3383 1.3383 1.3630 1.3630 1.4659 1.4659 6.6685 6.6685 6.6925 6.6925 6.7602 6.7602 12.2722 12.2722 12.3715 12.3715 12.8845 12.8845 16.3468 16.3468 k = 0.4041 0.4041 0.4041 ( 2464 PWs) bands (ev): -67.5390 -67.5390 -38.9975 -38.9975 -29.3930 -29.3930 -29.3927 -29.3927 -10.0546 -10.0546 -9.4859 -9.4859 -9.4271 -9.4271 -0.2235 -0.2235 -0.1488 -0.1488 0.6267 0.6267 1.3081 1.3081 1.3303 1.3303 1.4336 1.4336 6.6966 6.6966 6.7196 6.7196 6.7786 6.7786 12.3350 12.3350 12.4231 12.4231 12.9429 12.9429 16.3029 16.3029 k = 0.4110 0.4110 0.4110 ( 2458 PWs) bands (ev): -67.5390 -67.5390 -38.9979 -38.9979 -29.3945 -29.3945 -29.3943 -29.3943 -10.0341 -10.0341 -9.4522 -9.4522 -9.4006 -9.4006 -0.2702 -0.2702 -0.2058 -0.2058 0.5728 0.5728 1.2802 1.2802 1.2999 1.2999 1.4036 1.4036 6.7232 6.7232 6.7452 6.7452 6.7960 6.7960 12.3945 12.3945 12.4718 12.4718 12.9981 12.9981 16.2604 16.2604 k = 0.4178 0.4178 0.4178 ( 2458 PWs) bands (ev): -67.5390 -67.5390 -38.9982 -38.9982 -29.3959 -29.3959 -29.3958 -29.3958 -10.0151 -10.0151 -9.4203 -9.4203 -9.3756 -9.3756 -0.3140 -0.3140 -0.2591 -0.2591 0.5221 0.5221 1.2546 1.2546 1.2717 1.2717 1.3759 1.3759 6.7481 6.7481 6.7692 6.7692 6.8123 6.8123 12.4503 12.4503 12.5173 12.5173 13.0499 13.0499 16.2197 16.2197 k = 0.4247 0.4247 0.4247 ( 2461 PWs) bands (ev): -67.5389 -67.5389 -38.9986 -38.9986 -29.3973 -29.3973 -29.3972 -29.3972 -9.9974 -9.9974 -9.3903 -9.3903 -9.3522 -9.3522 -0.3547 -0.3547 -0.3085 -0.3085 0.4747 0.4747 1.2311 1.2311 1.2457 1.2457 1.3506 1.3506 6.7712 6.7712 6.7916 6.7916 6.8275 6.8275 12.5025 12.5025 12.5596 12.5596 13.0983 13.0983 16.1811 16.1811 k = 0.4315 0.4315 0.4315 ( 2467 PWs) bands (ev): -67.5389 -67.5389 -38.9989 -38.9989 -29.3985 -29.3985 -29.3984 -29.3984 -9.9811 -9.9811 -9.3625 -9.3625 -9.3305 -9.3305 -0.3922 -0.3922 -0.3540 -0.3540 0.4310 0.4310 1.2097 1.2097 1.2219 1.2219 1.3274 1.3274 6.7925 6.7925 6.8123 6.8123 6.8416 6.8416 12.5506 12.5506 12.5985 12.5985 13.1431 13.1431 16.1450 16.1450 k = 0.4384 0.4384 0.4384 ( 2470 PWs) bands (ev): -67.5389 -67.5389 -38.9992 -38.9992 -29.3997 -29.3997 -29.3996 -29.3996 -9.9663 -9.9663 -9.3369 -9.3369 -9.3107 -9.3107 -0.4264 -0.4264 -0.3955 -0.3955 0.3909 0.3909 1.1904 1.1904 1.2004 1.2004 1.3066 1.3066 6.8120 6.8120 6.8312 6.8312 6.8546 6.8546 12.5947 12.5947 12.6340 12.6340 13.1841 13.1841 16.1116 16.1116 k = 0.4452 0.4452 0.4452 ( 2470 PWs) bands (ev): -67.5389 -67.5389 -38.9994 -38.9994 -29.4007 -29.4007 -29.4006 -29.4006 -9.9530 -9.9530 -9.3136 -9.3136 -9.2927 -9.2927 -0.4573 -0.4573 -0.4329 -0.4329 0.3548 0.3548 1.1732 1.1732 1.1811 1.1811 1.2880 1.2880 6.8295 6.8295 6.8483 6.8483 6.8664 6.8664 12.6346 12.6346 12.6660 12.6660 13.2212 13.2212 16.0811 16.0811 k = 0.4521 0.4521 0.4521 ( 2470 PWs) bands (ev): -67.5389 -67.5389 -38.9996 -38.9996 -29.4016 -29.4016 -29.4015 -29.4015 -9.9411 -9.9411 -9.2928 -9.2928 -9.2766 -9.2766 -0.4847 -0.4847 -0.4660 -0.4660 0.3226 0.3226 1.1580 1.1580 1.1641 1.1641 1.2717 1.2717 6.8449 6.8449 6.8636 6.8636 6.8770 6.8770 12.6702 12.6702 12.6944 12.6944 13.2543 13.2543 16.0539 16.0539 k = 0.4589 0.4589 0.4589 ( 2467 PWs) bands (ev): -67.5389 -67.5389 -38.9998 -38.9998 -29.4024 -29.4024 -29.4023 -29.4023 -9.9308 -9.9308 -9.2746 -9.2746 -9.2626 -9.2626 -0.5087 -0.5087 -0.4949 -0.4949 0.2945 0.2945 1.1448 1.1448 1.1494 1.1494 1.2575 1.2575 6.8583 6.8583 6.8769 6.8769 6.8864 6.8864 12.7012 12.7012 12.7192 12.7192 13.2833 13.2833 16.0299 16.0299 k = 0.4658 0.4658 0.4658 ( 2467 PWs) bands (ev): -67.5389 -67.5389 -39.0000 -39.0000 -29.4030 -29.4030 -29.4030 -29.4030 -9.9221 -9.9221 -9.2590 -9.2590 -9.2506 -9.2506 -0.5290 -0.5290 -0.5195 -0.5195 0.2705 0.2705 1.1337 1.1337 1.1369 1.1369 1.2456 1.2456 6.8695 6.8695 6.8882 6.8882 6.8945 6.8945 12.7277 12.7277 12.7403 12.7403 13.3080 13.3080 16.0094 16.0094 k = 0.4726 0.4726 0.4726 ( 2455 PWs) bands (ev): -67.5388 -67.5388 -39.0001 -39.0001 -29.4036 -29.4036 -29.4035 -29.4035 -9.9148 -9.9148 -9.2461 -9.2461 -9.2407 -9.2407 -0.5458 -0.5458 -0.5397 -0.5397 0.2509 0.2509 1.1246 1.1246 1.1267 1.1267 1.2359 1.2359 6.8786 6.8786 6.8975 6.8975 6.9014 6.9014 12.7495 12.7495 12.7576 12.7576 13.3283 13.3283 15.9925 15.9925 k = 0.4795 0.4795 0.4795 ( 2455 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4040 -29.4040 -29.4039 -29.4039 -9.9092 -9.9092 -9.2360 -9.2360 -9.2330 -9.2330 -0.5588 -0.5588 -0.5554 -0.5554 0.2355 0.2355 1.1175 1.1175 1.1187 1.1187 1.2283 1.2283 6.8855 6.8855 6.9048 6.9048 6.9069 6.9069 12.7665 12.7665 12.7711 12.7711 13.3442 13.3442 15.9793 15.9793 k = 0.4863 0.4863 0.4863 ( 2449 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4043 -29.4043 -29.4042 -29.4042 -9.9052 -9.9052 -9.2288 -9.2288 -9.2274 -9.2274 -0.5682 -0.5682 -0.5667 -0.5667 0.2245 0.2245 1.1125 1.1125 1.1130 1.1130 1.2230 1.2230 6.8904 6.8904 6.9100 6.9100 6.9109 6.9109 12.7788 12.7788 12.7808 12.7808 13.3556 13.3556 15.9698 15.9698 k = 0.4932 0.4932 0.4932 ( 2440 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4044 -29.4044 -29.4044 -29.4044 -9.9028 -9.9028 -9.2244 -9.2244 -9.2241 -9.2241 -0.5738 -0.5738 -0.5734 -0.5734 0.2179 0.2179 1.1095 1.1095 1.1096 1.1096 1.2198 1.2198 6.8934 6.8934 6.9132 6.9132 6.9134 6.9134 12.7861 12.7861 12.7866 12.7866 13.3625 13.3625 15.9641 15.9641 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4045 -29.4045 -29.4045 -29.4045 -9.9020 -9.9020 -9.2230 -9.2230 -9.2230 -9.2230 -0.5757 -0.5757 -0.5757 -0.5757 0.2157 0.2157 1.1085 1.1085 1.1085 1.1085 1.2187 1.2187 6.8943 6.8943 6.9142 6.9142 6.9142 6.9142 12.7886 12.7886 12.7886 12.7886 13.3648 13.3648 15.9621 15.9621 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4045 -29.4045 -29.4045 -29.4045 -9.9020 -9.9020 -9.2230 -9.2230 -9.2230 -9.2230 -0.5757 -0.5757 -0.5757 -0.5757 0.2157 0.2157 1.1085 1.1085 1.1085 1.1085 1.2187 1.2187 6.8943 6.8943 6.9142 6.9142 6.9142 6.9142 12.7886 12.7886 12.7886 12.7886 13.3648 13.3648 15.9621 15.9621 k = 0.4917 0.5000 0.4917 ( 2440 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4045 -29.4045 -29.4044 -29.4044 -9.9028 -9.9028 -9.2248 -9.2248 -9.2236 -9.2236 -0.5747 -0.5747 -0.5726 -0.5726 0.2178 0.2178 1.1092 1.1092 1.1099 1.1099 1.2198 1.2198 6.8934 6.8934 6.9131 6.9131 6.9135 6.9135 12.7858 12.7858 12.7870 12.7870 13.3625 13.3625 15.9640 15.9640 k = 0.4833 0.5000 0.4833 ( 2448 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4044 -29.4044 -29.4041 -29.4041 -9.9052 -9.9052 -9.2305 -9.2305 -9.2255 -9.2255 -0.5718 -0.5718 -0.5634 -0.5634 0.2244 0.2244 1.1115 1.1115 1.1139 1.1139 1.2229 1.2229 6.8904 6.8904 6.9096 6.9096 6.9115 6.9115 12.7775 12.7775 12.7822 12.7822 13.3558 13.3558 15.9697 15.9697 k = 0.4750 0.5000 0.4750 ( 2454 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4043 -29.4043 -29.4037 -29.4037 -9.9092 -9.9092 -9.2399 -9.2399 -9.2287 -9.2287 -0.5670 -0.5670 -0.5480 -0.5480 0.2354 0.2354 1.1152 1.1152 1.1207 1.1207 1.2284 1.2284 6.8852 6.8852 6.9041 6.9041 6.9082 6.9082 12.7638 12.7638 12.7744 12.7744 13.3446 13.3446 15.9791 15.9791 k = 0.4667 0.5000 0.4667 ( 2462 PWs) bands (ev): -67.5388 -67.5388 -39.0001 -39.0001 -29.4041 -29.4041 -29.4030 -29.4030 -9.9148 -9.9148 -9.2530 -9.2530 -9.2330 -9.2330 -0.5605 -0.5605 -0.5266 -0.5266 0.2511 0.2511 1.1204 1.1204 1.1299 1.1299 1.2361 1.2361 6.8775 6.8775 6.8967 6.8967 6.9038 6.9038 12.7446 12.7446 12.7634 12.7634 13.3291 13.3291 15.9922 15.9922 k = 0.4583 0.5000 0.4583 ( 2466 PWs) bands (ev): -67.5388 -67.5388 -39.0000 -39.0000 -29.4039 -29.4039 -29.4022 -29.4022 -9.9221 -9.9221 -9.2696 -9.2696 -9.2385 -9.2385 -0.5526 -0.5526 -0.4992 -0.4992 0.2714 0.2714 1.1271 1.1271 1.1416 1.1416 1.2463 1.2463 6.8669 6.8669 6.8877 6.8877 6.8983 6.8983 12.7200 12.7200 12.7494 12.7494 13.3096 13.3096 16.0089 16.0089 k = 0.4500 0.5000 0.4500 ( 2466 PWs) bands (ev): -67.5389 -67.5389 -38.9998 -38.9998 -29.4036 -29.4036 -29.4011 -29.4011 -9.9311 -9.9311 -9.2896 -9.2896 -9.2450 -9.2450 -0.5436 -0.5436 -0.4659 -0.4659 0.2967 0.2967 1.1353 1.1353 1.1556 1.1556 1.2593 1.2593 6.8533 6.8533 6.8772 6.8772 6.8919 6.8919 12.6900 12.6900 12.7324 12.7324 13.2861 13.2861 16.0292 16.0292 k = 0.4417 0.5000 0.4417 ( 2466 PWs) bands (ev): -67.5389 -67.5389 -38.9996 -38.9996 -29.4033 -29.4033 -29.3999 -29.3999 -9.9418 -9.9418 -9.3130 -9.3130 -9.2524 -9.2524 -0.5337 -0.5337 -0.4268 -0.4268 0.3271 0.3271 1.1449 1.1449 1.1714 1.1714 1.2752 1.2752 6.8368 6.8368 6.8651 6.8651 6.8845 6.8845 12.6548 12.6548 12.7124 12.7124 13.2590 13.2590 16.0530 16.0530 k = 0.4333 0.5000 0.4333 ( 2466 PWs) bands (ev): -67.5389 -67.5389 -38.9994 -38.9994 -29.4029 -29.4029 -29.3985 -29.3985 -9.9542 -9.9542 -9.3396 -9.3396 -9.2607 -9.2607 -0.5232 -0.5232 -0.3821 -0.3821 0.3626 0.3626 1.1559 1.1559 1.1890 1.1890 1.2944 1.2944 6.8175 6.8175 6.8513 6.8513 6.8761 6.8761 12.6143 12.6143 12.6897 12.6897 13.2285 13.2285 16.0801 16.0801 k = 0.4250 0.5000 0.4250 ( 2466 PWs) bands (ev): -67.5389 -67.5389 -38.9992 -38.9992 -29.4025 -29.4025 -29.3969 -29.3969 -9.9685 -9.9685 -9.3691 -9.3691 -9.2696 -9.2696 -0.5125 -0.5125 -0.3319 -0.3319 0.4036 0.4036 1.1683 1.1683 1.2080 1.2080 1.3173 1.3173 6.7957 6.7957 6.8357 6.8357 6.8667 6.8667 12.5688 12.5688 12.6643 12.6643 13.1950 13.1950 16.1105 16.1105 k = 0.4167 0.5000 0.4167 ( 2462 PWs) bands (ev): -67.5389 -67.5389 -38.9989 -38.9989 -29.4021 -29.4021 -29.3951 -29.3951 -9.9846 -9.9846 -9.4014 -9.4014 -9.2791 -9.2791 -0.5018 -0.5018 -0.2764 -0.2764 0.4499 0.4499 1.1821 1.1821 1.2281 1.2281 1.3439 1.3439 6.7714 6.7714 6.8184 6.8184 6.8563 6.8563 12.5182 12.5182 12.6363 12.6363 13.1588 13.1588 16.1439 16.1439 k = 0.4083 0.5000 0.4083 ( 2458 PWs) bands (ev): -67.5389 -67.5389 -38.9986 -38.9986 -29.4016 -29.4016 -29.3932 -29.3932 -10.0026 -10.0026 -9.4364 -9.4364 -9.2890 -9.2890 -0.4913 -0.4913 -0.2158 -0.2158 0.5017 0.5017 1.1973 1.1973 1.2493 1.2493 1.3746 1.3746 6.7449 6.7449 6.7991 6.7991 6.8448 6.8448 12.4627 12.4627 12.6058 12.6058 13.1201 13.1201 16.1803 16.1803 k = 0.4000 0.5000 0.4000 ( 2458 PWs) bands (ev): -67.5390 -67.5390 -38.9983 -38.9983 -29.4010 -29.4010 -29.3911 -29.3911 -10.0225 -10.0225 -9.4737 -9.4737 -9.2993 -9.2993 -0.4812 -0.4812 -0.1502 -0.1502 0.5589 0.5589 1.2139 1.2139 1.2715 1.2715 1.4093 1.4093 6.7163 6.7163 6.7779 6.7779 6.8322 6.8322 12.4024 12.4024 12.5731 12.5731 13.0793 13.0793 16.2193 16.2193 k = 0.3917 0.5000 0.3917 ( 2456 PWs) bands (ev): -67.5390 -67.5390 -38.9979 -38.9979 -29.4004 -29.4004 -29.3889 -29.3889 -10.0443 -10.0443 -9.5132 -9.5132 -9.3097 -9.3097 -0.4716 -0.4716 -0.0798 -0.0798 0.6213 0.6213 1.2318 1.2318 1.2948 1.2948 1.4480 1.4480 6.6857 6.6857 6.7548 6.7548 6.8185 6.8185 12.3376 12.3376 12.5383 12.5383 13.0367 13.0367 16.2608 16.2608 k = 0.3833 0.5000 0.3833 ( 2456 PWs) bands (ev): -67.5390 -67.5390 -38.9976 -38.9976 -29.3998 -29.3998 -29.3865 -29.3865 -10.0680 -10.0680 -9.5546 -9.5546 -9.3203 -9.3203 -0.4627 -0.4627 -0.0049 -0.0049 0.6889 0.6889 1.2512 1.2512 1.3192 1.3192 1.4908 1.4908 6.6533 6.6533 6.7297 6.7297 6.8035 6.8035 12.2682 12.2682 12.5015 12.5015 12.9926 12.9926 16.3046 16.3046 k = 0.3750 0.5000 0.3750 ( 2448 PWs) bands (ev): -67.5390 -67.5390 -38.9972 -38.9972 -29.3991 -29.3991 -29.3839 -29.3839 -10.0936 -10.0936 -9.5976 -9.5976 -9.3308 -9.3308 -0.4544 -0.4544 0.0743 0.0743 0.7612 0.7612 1.2719 1.2719 1.3448 1.3448 1.5376 1.5376 6.6192 6.6192 6.7026 6.7026 6.7874 6.7874 12.1947 12.1947 12.4631 12.4631 12.9473 12.9473 16.3503 16.3503 k = 0.3667 0.5000 0.3667 ( 2456 PWs) bands (ev): -67.5391 -67.5391 -38.9968 -38.9968 -29.3984 -29.3984 -29.3812 -29.3812 -10.1212 -10.1212 -9.6422 -9.6422 -9.3412 -9.3412 -0.4468 -0.4468 0.1577 0.1577 0.8381 0.8381 1.2939 1.2939 1.3717 1.3717 1.5883 1.5883 6.5836 6.5836 6.6735 6.6735 6.7700 6.7700 12.1170 12.1170 12.4231 12.4231 12.9009 12.9009 16.3976 16.3976 k = 0.3583 0.5000 0.3583 ( 2456 PWs) bands (ev): -67.5391 -67.5391 -38.9964 -38.9964 -29.3977 -29.3977 -29.3784 -29.3784 -10.1505 -10.1505 -9.6880 -9.6880 -9.3515 -9.3515 -0.4399 -0.4399 0.2450 0.2450 0.9191 0.9191 1.3175 1.3175 1.3999 1.3999 1.6429 1.6429 6.5466 6.5466 6.6424 6.6424 6.7514 6.7514 12.0354 12.0354 12.3819 12.3819 12.8538 12.8538 16.4462 16.4462 k = 0.3500 0.5000 0.3500 ( 2460 PWs) bands (ev): -67.5392 -67.5392 -38.9959 -38.9959 -29.3969 -29.3969 -29.3755 -29.3755 -10.1817 -10.1817 -9.7347 -9.7347 -9.3615 -9.3615 -0.4337 -0.4337 0.3359 0.3359 1.0039 1.0039 1.3427 1.3427 1.4295 1.4295 1.7014 1.7014 6.5084 6.5084 6.6091 6.6091 6.7314 6.7314 11.9502 11.9502 12.3396 12.3396 12.8061 12.8061 16.4957 16.4957 k = 0.3417 0.5000 0.3417 ( 2460 PWs) bands (ev): -67.5392 -67.5392 -38.9955 -38.9955 -29.3961 -29.3961 -29.3724 -29.3724 -10.2147 -10.2147 -9.7822 -9.7822 -9.3713 -9.3713 -0.4281 -0.4281 0.4302 0.4302 1.0918 1.0918 1.3696 1.3696 1.4606 1.4606 1.7639 1.7639 6.4691 6.4691 6.5739 6.5739 6.7102 6.7102 11.8615 11.8615 12.2965 12.2965 12.7580 12.7580 16.5456 16.5456 k = 0.3333 0.5000 0.3333 ( 2452 PWs) bands (ev): -67.5392 -67.5392 -38.9950 -38.9950 -29.3953 -29.3953 -29.3693 -29.3693 -10.2493 -10.2493 -9.8302 -9.8302 -9.3807 -9.3807 -0.4230 -0.4230 0.5278 0.5278 1.1822 1.1822 1.3987 1.3987 1.4931 1.4931 1.8304 1.8304 6.4289 6.4289 6.5365 6.5365 6.6876 6.6876 11.7696 11.7696 12.2528 12.2528 12.7097 12.7097 16.5956 16.5956 k = 0.3250 0.5000 0.3250 ( 2456 PWs) bands (ev): -67.5393 -67.5393 -38.9945 -38.9945 -29.3944 -29.3944 -29.3660 -29.3660 -10.2856 -10.2856 -9.8786 -9.8786 -9.3898 -9.3898 -0.4186 -0.4186 0.6282 0.6282 1.2736 1.2736 1.4310 1.4310 1.5271 1.5271 1.9010 1.9010 6.3879 6.3879 6.4971 6.4971 6.6637 6.6637 11.6746 11.6746 12.2087 12.2087 12.6613 12.6613 16.6451 16.6451 k = 0.3167 0.5000 0.3167 ( 2456 PWs) bands (ev): -67.5393 -67.5393 -38.9940 -38.9940 -29.3936 -29.3936 -29.3626 -29.3626 -10.3233 -10.3233 -9.9270 -9.9270 -9.3986 -9.3986 -0.4146 -0.4146 0.7312 0.7312 1.3624 1.3624 1.4697 1.4697 1.5626 1.5626 1.9757 1.9757 6.3462 6.3462 6.4556 6.4556 6.6385 6.6385 11.5768 11.5768 12.1644 12.1644 12.6130 12.6130 16.6937 16.6937 k = 0.3083 0.5000 0.3083 ( 2456 PWs) bands (ev): -67.5393 -67.5393 -38.9935 -38.9935 -29.3927 -29.3927 -29.3592 -29.3592 -10.3625 -10.3625 -9.9753 -9.9753 -9.4070 -9.4070 -0.4111 -0.4111 0.8365 0.8365 1.4384 1.4384 1.5245 1.5245 1.5997 1.5997 2.0547 2.0547 6.3042 6.3042 6.4120 6.4120 6.6118 6.6118 11.4764 11.4764 12.1202 12.1202 12.5649 12.5649 16.7408 16.7408 k = 0.3000 0.5000 0.3000 ( 2476 PWs) bands (ev): -67.5394 -67.5394 -38.9930 -38.9930 -29.3918 -29.3918 -29.3557 -29.3557 -10.4030 -10.4030 -10.0233 -10.0233 -9.4151 -9.4151 -0.4081 -0.4081 0.9438 0.9438 1.4922 1.4922 1.6038 1.6038 1.6392 1.6392 2.1379 2.1379 6.2617 6.2617 6.3664 6.3664 6.5837 6.5837 11.3736 11.3736 12.0763 12.0763 12.5171 12.5171 16.7859 16.7859 k = 0.2917 0.5000 0.2917 ( 2464 PWs) bands (ev): -67.5394 -67.5394 -38.9925 -38.9925 -29.3908 -29.3908 -29.3521 -29.3521 -10.4446 -10.4446 -10.0709 -10.0709 -9.4229 -9.4229 -0.4053 -0.4053 1.0526 1.0526 1.5346 1.5346 1.6742 1.6742 1.7034 1.7034 2.2256 2.2256 6.2191 6.2191 6.3188 6.3188 6.5542 6.5542 11.2685 11.2685 12.0327 12.0327 12.4697 12.4697 16.8286 16.8286 k = 0.2833 0.5000 0.2833 ( 2464 PWs) bands (ev): -67.5395 -67.5395 -38.9919 -38.9919 -29.3899 -29.3899 -29.3484 -29.3484 -10.4872 -10.4872 -10.1179 -10.1179 -9.4303 -9.4303 -0.4030 -0.4030 1.1624 1.1624 1.5746 1.5746 1.7172 1.7172 1.8016 1.8016 2.3176 2.3176 6.1764 6.1764 6.2694 6.2694 6.5234 6.5234 11.1614 11.1614 11.9898 11.9898 12.4228 12.4228 16.8682 16.8682 k = 0.2750 0.5000 0.2750 ( 2472 PWs) bands (ev): -67.5395 -67.5395 -38.9914 -38.9914 -29.3889 -29.3889 -29.3448 -29.3448 -10.5307 -10.5307 -10.1642 -10.1642 -9.4374 -9.4374 -0.4009 -0.4009 1.2725 1.2725 1.6152 1.6152 1.7601 1.7601 1.9036 1.9036 2.4139 2.4139 6.1337 6.1337 6.2181 6.2181 6.4911 6.4911 11.0524 11.0524 11.9476 11.9476 12.3766 12.3766 16.9045 16.9045 k = 0.2667 0.5000 0.2667 ( 2472 PWs) bands (ev): -67.5396 -67.5396 -38.9908 -38.9908 -29.3879 -29.3879 -29.3411 -29.3411 -10.5749 -10.5749 -10.2096 -10.2096 -9.4441 -9.4441 -0.3991 -0.3991 1.3819 1.3819 1.6579 1.6579 1.8044 1.8044 2.0071 2.0071 2.5144 2.5144 6.0910 6.0910 6.1652 6.1652 6.4575 6.4575 10.9416 10.9416 11.9063 11.9063 12.3311 12.3311 16.9370 16.9370 k = 0.2583 0.5000 0.2583 ( 2472 PWs) bands (ev): -67.5396 -67.5396 -38.9903 -38.9903 -29.3870 -29.3870 -29.3373 -29.3373 -10.6197 -10.6197 -10.2541 -10.2541 -9.4506 -9.4506 -0.3976 -0.3976 1.4887 1.4887 1.7043 1.7043 1.8503 1.8503 2.1115 2.1115 2.6190 2.6190 6.0483 6.0483 6.1110 6.1110 6.4224 6.4224 10.8293 10.8293 11.8661 11.8661 12.2864 12.2864 16.9654 16.9654 k = 0.2500 0.5000 0.2500 ( 2480 PWs) bands (ev): -67.5397 -67.5397 -38.9898 -38.9898 -29.3860 -29.3860 -29.3335 -29.3335 -10.6648 -10.6648 -10.2977 -10.2977 -9.4568 -9.4568 -0.3963 -0.3963 1.5895 1.5895 1.7573 1.7573 1.8981 1.8981 2.2166 2.2166 2.7274 2.7274 6.0050 6.0050 6.0561 6.0561 6.3860 6.3860 10.7156 10.7156 11.8269 11.8269 12.2426 12.2426 16.9890 16.9890 k = 0.2417 0.5000 0.2417 ( 2474 PWs) bands (ev): -67.5397 -67.5397 -38.9892 -38.9892 -29.3850 -29.3850 -29.3297 -29.3297 -10.7100 -10.7100 -10.3402 -10.3402 -9.4627 -9.4627 -0.3951 -0.3951 1.6784 1.6784 1.8216 1.8216 1.9489 1.9489 2.3222 2.3222 2.8393 2.8393 5.9597 5.9597 6.0024 6.0024 6.3483 6.3483 10.6006 10.6006 11.7890 11.7890 12.1999 12.1999 17.0027 17.0027 k = 0.2333 0.5000 0.2333 ( 2470 PWs) bands (ev): -67.5398 -67.5398 -38.9886 -38.9886 -29.3840 -29.3840 -29.3260 -29.3260 -10.7553 -10.7553 -10.3816 -10.3816 -9.4683 -9.4683 -0.3942 -0.3942 1.7510 1.7510 1.8989 1.8989 2.0050 2.0050 2.4284 2.4284 2.9542 2.9542 5.9097 5.9097 5.9528 5.9528 6.3093 6.3093 10.4845 10.4845 11.7523 11.7523 12.1582 12.1582 16.8643 16.8643 k = 0.2250 0.5000 0.2250 ( 2474 PWs) bands (ev): -67.5398 -67.5398 -38.9881 -38.9881 -29.3830 -29.3830 -29.3222 -29.3222 -10.8004 -10.8004 -10.4219 -10.4219 -9.4737 -9.4737 -0.3934 -0.3934 1.8111 1.8111 1.9792 1.9792 2.0721 2.0721 2.5351 2.5351 3.0718 3.0718 5.8533 5.8533 5.9091 5.9091 6.2690 6.2690 10.3674 10.3674 11.7169 11.7169 12.1176 12.1176 16.6861 16.6861 k = 0.2167 0.5000 0.2167 ( 2482 PWs) bands (ev): -67.5399 -67.5399 -38.9875 -38.9875 -29.3821 -29.3821 -29.3185 -29.3185 -10.8452 -10.8452 -10.4610 -10.4610 -9.4788 -9.4788 -0.3928 -0.3928 1.8649 1.8649 2.0495 2.0495 2.1564 2.1564 2.6424 2.6424 3.1917 3.1917 5.7923 5.7923 5.8698 5.8698 6.2275 6.2275 10.2493 10.2493 11.6830 11.6830 12.0783 12.0783 16.5073 16.5073 k = 0.2083 0.5000 0.2083 ( 2482 PWs) bands (ev): -67.5399 -67.5399 -38.9870 -38.9870 -29.3811 -29.3811 -29.3148 -29.3148 -10.8895 -10.8895 -10.4989 -10.4989 -9.4837 -9.4837 -0.3922 -0.3922 1.9162 1.9162 2.1098 2.1098 2.2539 2.2539 2.7504 2.7504 3.3134 3.3134 5.7284 5.7284 5.8334 5.8334 6.1849 6.1849 10.1306 10.1306 11.6504 11.6504 12.0403 12.0403 16.3289 16.3289 k = 0.2000 0.5000 0.2000 ( 2482 PWs) bands (ev): -67.5399 -67.5399 -38.9865 -38.9865 -29.3801 -29.3801 -29.3112 -29.3112 -10.9331 -10.9331 -10.5355 -10.5355 -9.4884 -9.4884 -0.3918 -0.3918 1.9669 1.9669 2.1656 2.1656 2.3570 2.3570 2.8589 2.8589 3.4366 3.4366 5.6625 5.6625 5.7995 5.7995 6.1412 6.1412 10.0111 10.0111 11.6193 11.6193 12.0036 12.0036 16.1512 16.1512 k = 0.1917 0.5000 0.1917 ( 2478 PWs) bands (ev): -67.5400 -67.5400 -38.9859 -38.9859 -29.3792 -29.3792 -29.3076 -29.3076 -10.9759 -10.9759 -10.5709 -10.5709 -9.4929 -9.4929 -0.3915 -0.3915 2.0177 2.0177 2.2197 2.2197 2.4614 2.4614 2.9678 2.9678 3.5608 3.5608 5.5951 5.5951 5.7679 5.7679 6.0966 6.0966 9.8912 9.8912 11.5896 11.5896 11.9683 11.9683 15.9748 15.9748 k = 0.1833 0.5000 0.1833 ( 2478 PWs) bands (ev): -67.5400 -67.5400 -38.9854 -38.9854 -29.3783 -29.3783 -29.3040 -29.3040 -11.0178 -11.0178 -10.6051 -10.6051 -9.4971 -9.4971 -0.3913 -0.3913 2.0689 2.0689 2.2732 2.2732 2.5653 2.5653 3.0769 3.0769 3.6857 3.6857 5.5265 5.5265 5.7386 5.7386 6.0511 6.0511 9.7709 9.7709 11.5614 11.5614 11.9345 11.9345 15.8000 15.8000 k = 0.1750 0.5000 0.1750 ( 2486 PWs) bands (ev): -67.5401 -67.5401 -38.9849 -38.9849 -29.3774 -29.3774 -29.3006 -29.3006 -11.0586 -11.0586 -10.6379 -10.6379 -9.5012 -9.5012 -0.3912 -0.3912 2.1208 2.1208 2.3265 2.3265 2.6678 2.6678 3.1858 3.1858 3.8108 3.8108 5.4567 5.4567 5.7117 5.7117 6.0049 6.0049 9.6504 9.6504 11.5346 11.5346 11.9021 11.9021 15.6272 15.6272 k = 0.1667 0.5000 0.1667 ( 2490 PWs) bands (ev): -67.5401 -67.5401 -38.9845 -38.9845 -29.3765 -29.3765 -29.2972 -29.2972 -11.0981 -11.0981 -10.6694 -10.6694 -9.5050 -9.5050 -0.3911 -0.3911 2.1734 2.1734 2.3796 2.3796 2.7683 2.7683 3.2941 3.2941 3.9359 3.9359 5.3862 5.3862 5.6874 5.6874 5.9580 5.9580 9.5298 9.5298 11.5092 11.5092 11.8713 11.8713 15.4568 15.4568 k = 0.1583 0.5000 0.1583 ( 2480 PWs) bands (ev): -67.5401 -67.5401 -38.9839 -38.9839 -29.3756 -29.3756 -29.2939 -29.2939 -11.1364 -11.1364 -10.6996 -10.6996 -9.5086 -9.5086 -0.3910 -0.3910 2.2268 2.2268 2.4327 2.4327 2.8664 2.8664 3.4014 3.4014 4.0606 4.0606 5.3150 5.3150 5.6660 5.6660 5.9107 5.9107 9.4093 9.4093 11.4853 11.4853 11.8420 11.8420 15.2894 15.2894 k = 0.1500 0.5000 0.1500 ( 2480 PWs) bands (ev): -67.5402 -67.5402 -38.9835 -38.9835 -29.3748 -29.3748 -29.2908 -29.2908 -11.1733 -11.1733 -10.7283 -10.7283 -9.5121 -9.5121 -0.3910 -0.3910 2.2809 2.2809 2.4857 2.4857 2.9616 2.9616 3.5072 3.5072 4.1844 4.1844 5.2434 5.2434 5.6475 5.6475 5.8631 5.8631 9.2890 9.2890 11.4627 11.4627 11.8142 11.8142 15.1254 15.1254 k = 0.1417 0.5000 0.1417 ( 2480 PWs) bands (ev): -67.5402 -67.5402 -38.9830 -38.9830 -29.3740 -29.3740 -29.2877 -29.2877 -11.2086 -11.2086 -10.7557 -10.7557 -9.5153 -9.5153 -0.3911 -0.3911 2.3357 2.3357 2.5383 2.5383 3.0536 3.0536 3.6108 3.6108 4.3071 4.3071 5.1717 5.1717 5.6322 5.6322 5.8153 5.8153 9.1691 9.1691 11.4414 11.4414 11.7881 11.7881 14.9652 14.9652 k = 0.1333 0.5000 0.1333 ( 2480 PWs) bands (ev): -67.5402 -67.5402 -38.9826 -38.9826 -29.3732 -29.3732 -29.2848 -29.2848 -11.2424 -11.2424 -10.7817 -10.7817 -9.5184 -9.5184 -0.3912 -0.3912 2.3910 2.3910 2.5904 2.5904 3.1422 3.1422 3.7117 3.7117 4.4282 4.4282 5.1000 5.1000 5.6205 5.6205 5.7676 5.7676 9.0499 9.0499 11.4215 11.4215 11.7634 11.7634 14.8094 14.8094 k = 0.1250 0.5000 0.1250 ( 2472 PWs) bands (ev): -67.5403 -67.5403 -38.9822 -38.9822 -29.3725 -29.3725 -29.2820 -29.2820 -11.2745 -11.2745 -10.8062 -10.8062 -9.5212 -9.5212 -0.3913 -0.3913 2.4469 2.4469 2.6420 2.6420 3.2271 3.2271 3.8091 3.8091 4.5472 4.5472 5.0290 5.0290 5.6123 5.6123 5.7202 5.7202 8.9316 8.9316 11.4029 11.4029 11.7404 11.7404 14.6586 14.6586 k = 0.1167 0.5000 0.1167 ( 2472 PWs) bands (ev): -67.5403 -67.5403 -38.9818 -38.9818 -29.3718 -29.3718 -29.2793 -29.2793 -11.3048 -11.3048 -10.8292 -10.8292 -9.5239 -9.5239 -0.3914 -0.3914 2.5030 2.5030 2.6926 2.6926 3.3078 3.3078 3.9023 3.9023 4.6630 4.6630 4.9594 4.9594 5.6080 5.6080 5.6733 5.6733 8.8145 8.8145 11.3856 11.3856 11.7189 11.7189 14.5132 14.5132 k = 0.1083 0.5000 0.1083 ( 2476 PWs) bands (ev): -67.5403 -67.5403 -38.9815 -38.9815 -29.3712 -29.3712 -29.2768 -29.2768 -11.3333 -11.3333 -10.8508 -10.8508 -9.5264 -9.5264 -0.3916 -0.3916 2.5593 2.5593 2.7423 2.7423 3.3840 3.3840 3.9908 3.9908 4.7706 4.7706 4.8965 4.8965 5.6075 5.6075 5.6273 5.6273 8.6989 8.6989 11.3695 11.3695 11.6989 11.6989 14.3739 14.3739 k = 0.1000 0.5000 0.1000 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9811 -38.9811 -29.3705 -29.3705 -29.2745 -29.2745 -11.3600 -11.3600 -10.8709 -10.8709 -9.5288 -9.5288 -0.3917 -0.3917 2.6154 2.6154 2.7907 2.7907 3.4553 3.4553 4.0738 4.0738 4.7994 4.7994 4.9106 4.9106 5.5823 5.5823 5.6110 5.6110 8.5852 8.5852 11.3547 11.3547 11.6805 11.6805 14.2413 14.2413 k = 0.0917 0.5000 0.0917 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9808 -38.9808 -29.3700 -29.3700 -29.2723 -29.2723 -11.3847 -11.3847 -10.8894 -10.8894 -9.5309 -9.5309 -0.3919 -0.3919 2.6711 2.6711 2.8375 2.8375 3.5213 3.5213 4.1510 4.1510 4.7408 4.7408 5.0102 5.0102 5.5388 5.5388 5.6184 5.6184 8.4740 8.4740 11.3411 11.3411 11.6636 11.6636 14.1159 14.1159 k = 0.0833 0.5000 0.0833 ( 2480 PWs) bands (ev): -67.5404 -67.5404 -38.9805 -38.9805 -29.3694 -29.3694 -29.2703 -29.2703 -11.4074 -11.4074 -10.9063 -10.9063 -9.5328 -9.5328 -0.3920 -0.3920 2.7260 2.7260 2.8826 2.8826 3.5816 3.5816 4.2216 4.2216 4.6770 4.6770 5.1133 5.1133 5.4970 5.4970 5.6294 5.6294 8.3657 8.3657 11.3287 11.3287 11.6481 11.6481 13.9986 13.9986 k = 0.0750 0.5000 0.0750 ( 2478 PWs) bands (ev): -67.5404 -67.5404 -38.9802 -38.9802 -29.3690 -29.3690 -29.2684 -29.2684 -11.4280 -11.4280 -10.9218 -10.9218 -9.5346 -9.5346 -0.3922 -0.3922 2.7795 2.7795 2.9256 2.9256 3.6359 3.6359 4.2856 4.2856 4.6146 4.6146 5.2129 5.2129 5.4575 5.4575 5.6438 5.6438 8.2612 8.2612 11.3176 11.3176 11.6342 11.6342 13.8898 13.8898 k = 0.0667 0.5000 0.0667 ( 2478 PWs) bands (ev): -67.5405 -67.5405 -38.9800 -38.9800 -29.3685 -29.3685 -29.2667 -29.2667 -11.4466 -11.4466 -10.9356 -10.9356 -9.5362 -9.5362 -0.3923 -0.3923 2.8311 2.8311 2.9663 2.9663 3.6837 3.6837 4.3425 4.3425 4.5552 4.5552 5.3071 5.3071 5.4207 5.4207 5.6612 5.6612 8.1612 8.1612 11.3076 11.3076 11.6217 11.6217 13.7903 13.7903 k = 0.0583 0.5000 0.0583 ( 2470 PWs) bands (ev): -67.5405 -67.5405 -38.9798 -38.9798 -29.3681 -29.3681 -29.2652 -29.2652 -11.4631 -11.4631 -10.9478 -10.9478 -9.5376 -9.5376 -0.3925 -0.3925 2.8800 2.8800 3.0045 3.0045 3.7246 3.7246 4.3922 4.3922 4.5000 4.5000 5.3829 5.3829 5.3986 5.3986 5.6810 5.6810 8.0669 8.0669 11.2988 11.2988 11.6106 11.6106 13.7007 13.7007 k = 0.0500 0.5000 0.0500 ( 2470 PWs) bands (ev): -67.5405 -67.5405 -38.9796 -38.9796 -29.3678 -29.3678 -29.2639 -29.2639 -11.4775 -11.4775 -10.9584 -10.9584 -9.5388 -9.5388 -0.3926 -0.3926 2.9251 2.9251 3.0400 3.0400 3.7585 3.7585 4.4318 4.4318 4.4527 4.4527 5.3553 5.3553 5.4747 5.4747 5.7031 5.7031 7.9794 7.9794 11.2911 11.2911 11.6010 11.6010 13.6216 13.6216 k = 0.0417 0.5000 0.0417 ( 2462 PWs) bands (ev): -67.5405 -67.5405 -38.9794 -38.9794 -29.3675 -29.3675 -29.2628 -29.2628 -11.4897 -11.4897 -10.9674 -10.9674 -9.5398 -9.5398 -0.3927 -0.3927 2.9653 2.9653 3.0724 3.0724 3.7852 3.7852 4.4033 4.4033 4.4728 4.4728 5.3286 5.3286 5.5431 5.5431 5.7271 5.7271 7.9005 7.9005 11.2847 11.2847 11.5929 11.5929 13.5536 13.5536 k = 0.0333 0.5000 0.0333 ( 2458 PWs) bands (ev): -67.5405 -67.5405 -38.9792 -38.9792 -29.3672 -29.3672 -29.2619 -29.2619 -11.4997 -11.4997 -10.9748 -10.9748 -9.5406 -9.5406 -0.3928 -0.3928 2.9995 2.9995 3.1013 3.1013 3.8050 3.8050 4.3664 4.3664 4.5015 4.5015 5.3061 5.3061 5.5985 5.5985 5.7529 5.7529 7.8318 7.8318 11.2794 11.2794 11.5862 11.5862 13.4972 13.4972 k = 0.0250 0.5000 0.0250 ( 2458 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3670 -29.3670 -29.2612 -29.2612 -11.5075 -11.5075 -10.9806 -10.9806 -9.5413 -9.5413 -0.3928 -0.3928 3.0267 3.0267 3.1259 3.1259 3.8184 3.8184 4.3370 4.3370 4.5239 4.5239 5.2881 5.2881 5.6394 5.6394 5.7791 5.7791 7.7753 7.7753 11.2753 11.2753 11.5810 11.5810 13.4528 13.4528 k = 0.0167 0.5000 0.0167 ( 2466 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3669 -29.3669 -29.2607 -29.2607 -11.5131 -11.5131 -10.9847 -10.9847 -9.5417 -9.5417 -0.3929 -0.3929 3.0463 3.0463 3.1450 3.1450 3.8266 3.8266 4.3158 4.3158 4.5399 4.5399 5.2750 5.2750 5.6663 5.6663 5.8025 5.8025 7.7331 7.7331 11.2724 11.2724 11.5772 11.5772 13.4208 13.4208 k = 0.0083 0.5000 0.0083 ( 2496 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3669 -29.3669 -29.2605 -29.2605 -11.5165 -11.5165 -10.9872 -10.9872 -9.5420 -9.5420 -0.3930 -0.3930 3.0581 3.0581 3.1572 3.1572 3.8307 3.8307 4.3031 4.3031 4.5494 4.5494 5.2670 5.2670 5.6812 5.6812 5.8186 5.8186 7.7069 7.7069 11.2706 11.2706 11.5750 11.5750 13.4015 13.4015 k = 0.0000 0.5000-0.0000 ( 2496 PWs) bands (ev): -67.5405 -67.5405 -38.9791 -38.9791 -29.3669 -29.3669 -29.2604 -29.2604 -11.5176 -11.5176 -10.9880 -10.9880 -9.5421 -9.5421 -0.3930 -0.3930 3.0620 3.0620 3.1615 3.1615 3.8319 3.8319 4.2989 4.2989 4.5526 4.5526 5.2643 5.2643 5.6859 5.6859 5.8245 5.8245 7.6981 7.6981 11.2700 11.2700 11.5742 11.5742 13.3950 13.3950 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -67.5396 -67.5396 -38.9898 -38.9898 -29.4120 -29.4120 -29.3067 -29.3067 -11.2246 -11.2246 -9.7268 -9.7268 -9.2610 -9.2610 -0.5902 -0.5902 -0.1182 -0.1182 1.0335 1.0335 3.1290 3.1290 3.2245 3.2245 4.6490 4.6490 4.8399 4.8399 4.8788 4.8788 6.8945 6.8945 11.2791 11.2791 11.5688 11.5688 12.9949 12.9949 14.9879 14.9879 k = 0.5000 0.5000 0.0116 ( 2480 PWs) bands (ev): -67.5397 -67.5397 -38.9898 -38.9898 -29.4120 -29.4120 -29.3069 -29.3069 -11.2228 -11.2228 -9.7267 -9.7267 -9.2610 -9.2610 -0.5902 -0.5902 -0.1182 -0.1182 1.0336 1.0336 3.1221 3.1221 3.2176 3.2176 4.6479 4.6479 4.8471 4.8471 4.8786 4.8786 6.8945 6.8945 11.2803 11.2803 11.5699 11.5699 12.9950 12.9950 14.9975 14.9975 k = 0.5000 0.5000 0.0233 ( 2480 PWs) bands (ev): -67.5397 -67.5397 -38.9899 -38.9899 -29.4120 -29.4120 -29.3073 -29.3073 -11.2173 -11.2173 -9.7263 -9.7263 -9.2608 -9.2608 -0.5901 -0.5901 -0.1183 -0.1183 1.0341 1.0341 3.1020 3.1020 3.1974 3.1974 4.6414 4.6414 4.8684 4.8684 4.8809 4.8809 6.8946 6.8946 11.2839 11.2839 11.5734 11.5734 12.9952 12.9952 15.0261 15.0261 k = 0.5000 0.5000 0.0349 ( 2480 PWs) bands (ev): -67.5396 -67.5396 -38.9899 -38.9899 -29.4120 -29.4120 -29.3079 -29.3079 -11.2082 -11.2082 -9.7257 -9.7257 -9.2606 -9.2606 -0.5900 -0.5900 -0.1183 -0.1183 1.0348 1.0348 3.0697 3.0697 3.1651 3.1651 4.6214 4.6214 4.8930 4.8930 4.9027 4.9027 6.8947 6.8947 11.2898 11.2898 11.5792 11.5792 12.9957 12.9957 15.0733 15.0733 k = 0.5000 0.5000 0.0465 ( 2480 PWs) bands (ev): -67.5396 -67.5396 -38.9900 -38.9900 -29.4119 -29.4119 -29.3089 -29.3089 -11.1955 -11.1955 -9.7248 -9.7248 -9.2603 -9.2603 -0.5899 -0.5899 -0.1184 -0.1184 1.0357 1.0357 3.0268 3.0268 3.1221 3.1221 4.5813 4.5813 4.9207 4.9207 4.9483 4.9483 6.8948 6.8948 11.2982 11.2982 11.5874 11.5874 12.9962 12.9962 15.1386 15.1386 k = 0.5000 0.5000 0.0581 ( 2480 PWs) bands (ev): -67.5396 -67.5396 -38.9902 -38.9902 -29.4118 -29.4118 -29.3100 -29.3100 -11.1792 -11.1792 -9.7236 -9.7236 -9.2598 -9.2598 -0.5897 -0.5897 -0.1186 -0.1186 1.0370 1.0370 2.9749 2.9749 3.0702 3.0702 4.5201 4.5201 4.9638 4.9638 5.0034 5.0034 6.8949 6.8949 11.3090 11.3090 11.5979 11.5979 12.9970 12.9970 15.2212 15.2212 k = 0.5000 0.5000 0.0698 ( 2472 PWs) bands (ev): -67.5396 -67.5396 -38.9903 -38.9903 -29.4117 -29.4117 -29.3114 -29.3114 -11.1594 -11.1594 -9.7222 -9.7222 -9.2593 -9.2593 -0.5895 -0.5895 -0.1187 -0.1187 1.0385 1.0385 2.9160 2.9160 3.0112 3.0112 4.4400 4.4400 5.0194 5.0194 5.0663 5.0663 6.8951 6.8951 11.3221 11.3221 11.6109 11.6109 12.9979 12.9979 15.3201 15.3201 k = 0.5000 0.5000 0.0814 ( 2480 PWs) bands (ev): -67.5396 -67.5396 -38.9905 -38.9905 -29.4116 -29.4116 -29.3131 -29.3131 -11.1361 -11.1361 -9.7205 -9.7205 -9.2587 -9.2587 -0.5893 -0.5893 -0.1190 -0.1190 1.0402 1.0402 2.8514 2.8514 2.9466 2.9466 4.3437 4.3437 5.0840 5.0840 5.1353 5.1353 6.8953 6.8953 11.3377 11.3377 11.6263 11.6263 12.9990 12.9990 15.4342 15.4342 k = 0.5000 0.5000 0.0930 ( 2472 PWs) bands (ev): -67.5396 -67.5396 -38.9906 -38.9906 -29.4114 -29.4114 -29.3150 -29.3150 -11.1095 -11.1095 -9.7186 -9.7186 -9.2579 -9.2579 -0.5890 -0.5890 -0.1193 -0.1193 1.0423 1.0423 2.7827 2.7827 2.8778 2.8778 4.2335 4.2335 5.1552 5.1552 5.2089 5.2089 6.8956 6.8956 11.3558 11.3558 11.6441 11.6441 13.0003 13.0003 15.5623 15.5623 k = 0.5000 0.5000 0.1047 ( 2472 PWs) bands (ev): -67.5396 -67.5396 -38.9909 -38.9909 -29.4112 -29.4112 -29.3171 -29.3171 -11.0796 -11.0796 -9.7163 -9.7163 -9.2571 -9.2571 -0.5887 -0.5887 -0.1196 -0.1196 1.0445 1.0445 2.7108 2.7108 2.8060 2.8060 4.1112 4.1112 5.2310 5.2310 5.2860 5.2860 6.8959 6.8959 11.3763 11.3763 11.6645 11.6645 13.0018 13.0018 15.7032 15.7032 k = 0.5000 0.5000 0.1163 ( 2472 PWs) bands (ev): -67.5395 -67.5395 -38.9911 -38.9911 -29.4111 -29.4111 -29.3194 -29.3194 -11.0465 -11.0465 -9.7137 -9.7137 -9.2563 -9.2563 -0.5883 -0.5883 -0.1201 -0.1201 1.0470 1.0470 2.6369 2.6369 2.7321 2.7321 3.9784 3.9784 5.3100 5.3100 5.3653 5.3654 6.8962 6.8962 11.3994 11.3994 11.6875 11.6875 13.0035 13.0035 15.8556 15.8556 k = 0.5000 0.5000 0.1279 ( 2468 PWs) bands (ev): -67.5395 -67.5395 -38.9914 -38.9914 -29.4109 -29.4109 -29.3219 -29.3219 -11.0104 -11.0104 -9.7108 -9.7108 -9.2553 -9.2553 -0.5879 -0.5879 -0.1207 -0.1207 1.0496 1.0496 2.5616 2.5616 2.6569 2.6569 3.8366 3.8366 5.3911 5.3911 5.4462 5.4462 6.8965 6.8965 11.4249 11.4249 11.7130 11.7130 13.0054 13.0054 16.0182 16.0182 k = 0.5000 0.5000 0.1395 ( 2476 PWs) bands (ev): -67.5395 -67.5395 -38.9917 -38.9917 -29.4107 -29.4107 -29.3247 -29.3247 -10.9714 -10.9714 -9.7076 -9.7076 -9.2543 -9.2543 -0.5875 -0.5875 -0.1214 -0.1214 1.0525 1.0525 2.4856 2.4856 2.5810 2.5810 3.6870 3.6870 5.4734 5.4734 5.5278 5.5278 6.8969 6.8969 11.4531 11.4531 11.7411 11.7411 13.0076 13.0076 16.1897 16.1897 k = 0.5000 0.5000 0.1512 ( 2476 PWs) bands (ev): -67.5395 -67.5395 -38.9920 -38.9920 -29.4105 -29.4105 -29.3275 -29.3275 -10.9297 -10.9297 -9.7040 -9.7040 -9.2532 -9.2532 -0.5871 -0.5871 -0.1222 -0.1222 1.0556 1.0556 2.4094 2.4094 2.5050 2.5050 3.5310 3.5310 5.5561 5.5561 5.6094 5.6094 6.8972 6.8972 11.4839 11.4839 11.7719 11.7719 13.0099 13.0099 16.3689 16.3689 k = 0.5000 0.5000 0.1628 ( 2456 PWs) bands (ev): -67.5394 -67.5394 -38.9923 -38.9923 -29.4102 -29.4102 -29.3305 -29.3305 -10.8854 -10.8854 -9.6999 -9.6999 -9.2520 -9.2520 -0.5866 -0.5866 -0.1232 -0.1232 1.0588 1.0588 2.3335 2.3335 2.4294 2.4294 3.3699 3.3699 5.6386 5.6386 5.6906 5.6906 6.8977 6.8977 11.5174 11.5174 11.8052 11.8052 13.0126 13.0126 16.5546 16.5546 k = 0.5000 0.5000 0.1744 ( 2464 PWs) bands (ev): -67.5394 -67.5394 -38.9926 -38.9926 -29.4100 -29.4100 -29.3337 -29.3337 -10.8387 -10.8387 -9.6955 -9.6955 -9.2508 -9.2508 -0.5862 -0.5862 -0.1244 -0.1244 1.0622 1.0622 2.2582 2.2582 2.3544 2.3544 3.2045 3.2045 5.7204 5.7204 5.7708 5.7708 6.8981 6.8981 11.5534 11.5534 11.8411 11.8411 13.0155 13.0155 16.7456 16.7456 k = 0.5000 0.5000 0.1860 ( 2480 PWs) bands (ev): -67.5394 -67.5394 -38.9930 -38.9930 -29.4098 -29.4098 -29.3369 -29.3369 -10.7899 -10.7899 -9.6905 -9.6905 -9.2496 -9.2496 -0.5857 -0.5857 -0.1259 -0.1259 1.0656 1.0656 2.1837 2.1837 2.2805 2.2805 3.0360 3.0360 5.8009 5.8009 5.8497 5.8497 6.8985 6.8985 11.5922 11.5922 11.8794 11.8794 13.0187 13.0187 16.9408 16.9408 k = 0.5000 0.5000 0.1977 ( 2480 PWs) bands (ev): -67.5394 -67.5394 -38.9934 -38.9934 -29.4095 -29.4095 -29.3403 -29.3403 -10.7392 -10.7392 -9.6850 -9.6850 -9.2483 -9.2483 -0.5852 -0.5852 -0.1277 -0.1277 1.0692 1.0692 2.1102 2.1102 2.2079 2.2079 2.8656 2.8656 5.8798 5.8798 5.9268 5.9268 6.8989 6.8989 11.6335 11.6335 11.9202 11.9202 13.0223 13.0223 17.0258 17.0258 k = 0.5000 0.5000 0.2093 ( 2472 PWs) bands (ev): -67.5393 -67.5393 -38.9937 -38.9937 -29.4092 -29.4092 -29.3437 -29.3437 -10.6870 -10.6870 -9.6788 -9.6788 -9.2470 -9.2470 -0.5847 -0.5847 -0.1298 -0.1298 1.0729 1.0729 2.0379 2.0379 2.1368 2.1368 2.6943 2.6943 5.9568 5.9568 6.0019 6.0019 6.8994 6.8994 11.6775 11.6775 11.9633 11.9633 13.0263 13.0263 16.9592 16.9592 k = 0.5000 0.5000 0.2209 ( 2472 PWs) bands (ev): -67.5393 -67.5393 -38.9941 -38.9941 -29.4090 -29.4090 -29.3472 -29.3472 -10.6334 -10.6334 -9.6719 -9.6719 -9.2456 -9.2456 -0.5842 -0.5842 -0.1323 -0.1323 1.0766 1.0766 1.9668 1.9668 2.0675 2.0675 2.5230 2.5230 6.0316 6.0316 6.0747 6.0747 6.8999 6.8999 11.7239 11.7239 12.0086 12.0086 13.0308 13.0308 16.8930 16.8930 k = 0.5000 0.5000 0.2326 ( 2476 PWs) bands (ev): -67.5393 -67.5393 -38.9945 -38.9945 -29.4087 -29.4087 -29.3508 -29.3508 -10.5789 -10.5789 -9.6642 -9.6642 -9.2443 -9.2443 -0.5837 -0.5837 -0.1353 -0.1353 1.0803 1.0803 1.8967 1.8967 2.0001 2.0001 2.3532 2.3532 6.1039 6.1039 6.1449 6.1449 6.9004 6.9004 11.7727 11.7727 12.0557 12.0557 13.0358 13.0358 16.8274 16.8274 k = 0.5000 0.5000 0.2442 ( 2468 PWs) bands (ev): -67.5392 -67.5392 -38.9948 -38.9948 -29.4084 -29.4084 -29.3543 -29.3543 -10.5238 -10.5238 -9.6556 -9.6556 -9.2429 -9.2429 -0.5831 -0.5831 -0.1388 -0.1388 1.0841 1.0841 1.8269 1.8269 1.9347 1.9347 2.1864 2.1864 6.1735 6.1735 6.2124 6.2124 6.9008 6.9008 11.8237 11.8237 12.1045 12.1045 13.0414 13.0414 16.7627 16.7627 k = 0.5000 0.5000 0.2558 ( 2468 PWs) bands (ev): -67.5392 -67.5392 -38.9952 -38.9952 -29.4082 -29.4082 -29.3579 -29.3579 -10.4686 -10.4686 -9.6458 -9.6458 -9.2415 -9.2415 -0.5826 -0.5826 -0.1431 -0.1431 1.0878 1.0878 1.7559 1.7559 1.8716 1.8716 2.0252 2.0252 6.2401 6.2401 6.2770 6.2770 6.9013 6.9013 11.8768 11.8768 12.1547 12.1547 13.0476 13.0476 16.6992 16.6992 k = 0.5000 0.5000 0.2674 ( 2476 PWs) bands (ev): -67.5392 -67.5392 -38.9956 -38.9956 -29.4079 -29.4079 -29.3615 -29.3615 -10.4137 -10.4137 -9.6347 -9.6347 -9.2401 -9.2401 -0.5821 -0.5821 -0.1482 -0.1482 1.0915 1.0915 1.6788 1.6788 1.8108 1.8108 1.8752 1.8752 6.3037 6.3037 6.3386 6.3386 6.9018 6.9018 11.9317 11.9317 12.2059 12.2059 13.0547 13.0547 16.6372 16.6372 k = 0.5000 0.5000 0.2791 ( 2476 PWs) bands (ev): -67.5392 -67.5392 -38.9960 -38.9960 -29.4076 -29.4076 -29.3650 -29.3650 -10.3597 -10.3597 -9.6221 -9.6221 -9.2387 -9.2387 -0.5816 -0.5816 -0.1543 -0.1543 1.0952 1.0952 1.5846 1.5846 1.7486 1.7486 1.7525 1.7525 6.3642 6.3642 6.3971 6.3971 6.9023 6.9023 11.9881 11.9881 12.2577 12.2577 13.0627 13.0627 16.5769 16.5769 k = 0.5000 0.5000 0.2907 ( 2460 PWs) bands (ev): -67.5391 -67.5391 -38.9963 -38.9963 -29.4073 -29.4073 -29.3684 -29.3684 -10.3071 -10.3071 -9.6078 -9.6078 -9.2374 -9.2374 -0.5810 -0.5810 -0.1616 -0.1616 1.0987 1.0987 1.4644 1.4644 1.6554 1.6554 1.6968 1.6968 6.4214 6.4214 6.4524 6.4524 6.9028 6.9028 12.0459 12.0459 12.3096 12.3096 13.0717 13.0717 16.5185 16.5185 k = 0.5000 0.5000 0.3023 ( 2460 PWs) bands (ev): -67.5391 -67.5391 -38.9967 -38.9967 -29.4071 -29.4071 -29.3718 -29.3718 -10.2566 -10.2566 -9.5916 -9.5916 -9.2360 -9.2360 -0.5805 -0.5805 -0.1704 -0.1704 1.1021 1.1021 1.3291 1.3291 1.5853 1.5853 1.6438 1.6438 6.4753 6.4753 6.5044 6.5044 6.9033 6.9033 12.1045 12.1045 12.3610 12.3610 13.0820 13.0820 16.4623 16.4623 k = 0.5000 0.5000 0.3140 ( 2460 PWs) bands (ev): -67.5391 -67.5391 -38.9971 -38.9971 -29.4068 -29.4068 -29.3751 -29.3751 -10.2086 -10.2086 -9.5732 -9.5732 -9.2347 -9.2347 -0.5800 -0.5800 -0.1810 -0.1810 1.1054 1.1054 1.1917 1.1917 1.5265 1.5265 1.5935 1.5935 6.5258 6.5258 6.5532 6.5532 6.9037 6.9037 12.1636 12.1636 12.4114 12.4114 13.0938 13.0938 16.4084 16.4084 k = 0.5000 0.5000 0.3256 ( 2460 PWs) bands (ev): -67.5390 -67.5390 -38.9974 -38.9974 -29.4066 -29.4066 -29.3784 -29.3784 -10.1638 -10.1638 -9.5525 -9.5525 -9.2334 -9.2334 -0.5796 -0.5796 -0.1937 -0.1937 1.0582 1.0582 1.1084 1.1084 1.4741 1.4741 1.5461 1.5461 6.5729 6.5729 6.5987 6.5987 6.9042 6.9042 12.2229 12.2229 12.4601 12.4601 13.1071 13.1071 16.3570 16.3570 k = 0.5000 0.5000 0.3372 ( 2460 PWs) bands (ev): -67.5390 -67.5390 -38.9978 -38.9978 -29.4063 -29.4063 -29.3814 -29.3814 -10.1226 -10.1226 -9.5294 -9.5294 -9.2322 -9.2322 -0.5791 -0.5791 -0.2091 -0.2091 0.9316 0.9316 1.1111 1.1111 1.4263 1.4263 1.5016 1.5016 6.6167 6.6167 6.6409 6.6409 6.9047 6.9047 12.2818 12.2818 12.5065 12.5065 13.1223 13.1223 16.3082 16.3082 k = 0.5000 0.5000 0.3488 ( 2460 PWs) bands (ev): -67.5390 -67.5390 -38.9981 -38.9981 -29.4061 -29.4061 -29.3844 -29.3844 -10.0854 -10.0854 -9.5041 -9.5041 -9.2311 -9.2311 -0.5787 -0.5787 -0.2276 -0.2276 0.8137 0.8137 1.1136 1.1136 1.3822 1.3822 1.4601 1.4601 6.6571 6.6571 6.6799 6.6799 6.9051 6.9051 12.3398 12.3398 12.5501 12.5501 13.1393 13.1393 16.2622 16.2622 k = 0.5000 0.5000 0.3605 ( 2460 PWs) bands (ev): -67.5390 -67.5390 -38.9984 -38.9984 -29.4059 -29.4059 -29.3872 -29.3872 -10.0523 -10.0523 -9.4767 -9.4767 -9.2299 -9.2299 -0.5783 -0.5783 -0.2497 -0.2497 0.7060 0.7060 1.1157 1.1157 1.3417 1.3417 1.4218 1.4218 6.6942 6.6942 6.7156 6.7156 6.9056 6.9056 12.3965 12.3965 12.5902 12.5902 13.1582 13.1582 16.2192 16.2192 k = 0.5000 0.5000 0.3721 ( 2464 PWs) bands (ev): -67.5389 -67.5389 -38.9987 -38.9987 -29.4057 -29.4057 -29.3898 -29.3898 -10.0233 -10.0233 -9.4478 -9.4478 -9.2289 -9.2289 -0.5779 -0.5779 -0.2756 -0.2756 0.6095 0.6095 1.1174 1.1174 1.3045 1.3045 1.3867 1.3867 6.7280 6.7280 6.7483 6.7483 6.9060 6.9060 12.4514 12.4514 12.6264 12.6264 13.1789 13.1789 16.1791 16.1791 k = 0.5000 0.5000 0.3837 ( 2464 PWs) bands (ev): -67.5389 -67.5389 -38.9990 -38.9990 -29.4055 -29.4055 -29.3923 -29.3923 -9.9983 -9.9983 -9.4179 -9.4179 -9.2279 -9.2279 -0.5775 -0.5775 -0.3054 -0.3054 0.5251 0.5251 1.1186 1.1186 1.2705 1.2705 1.3549 1.3549 6.7586 6.7586 6.7778 6.7778 6.9064 6.9064 12.5038 12.5038 12.6586 12.6586 13.2011 13.2011 16.1422 16.1422 k = 0.5000 0.5000 0.3953 ( 2468 PWs) bands (ev): -67.5389 -67.5389 -38.9992 -38.9992 -29.4053 -29.4053 -29.3945 -29.3945 -9.9771 -9.9771 -9.3877 -9.3877 -9.2270 -9.2270 -0.5772 -0.5772 -0.3388 -0.3388 0.4530 0.4530 1.1194 1.1194 1.2398 1.2398 1.3265 1.3265 6.7859 6.7859 6.8042 6.8042 6.9069 6.9069 12.5533 12.5533 12.6866 12.6866 13.2243 13.2243 16.1086 16.1086 k = 0.5000 0.5000 0.4070 ( 2468 PWs) bands (ev): -67.5389 -67.5389 -38.9995 -38.9995 -29.4052 -29.4052 -29.3966 -29.3966 -9.9592 -9.9592 -9.3581 -9.3581 -9.2262 -9.2262 -0.5769 -0.5769 -0.3749 -0.3749 0.3929 0.3929 1.1195 1.1195 1.2123 1.2123 1.3015 1.3015 6.8101 6.8101 6.8277 6.8277 6.9073 6.9073 12.5993 12.5993 12.7106 12.7106 13.2479 13.2479 16.0782 16.0782 k = 0.5000 0.5000 0.4186 ( 2468 PWs) bands (ev): -67.5389 -67.5389 -38.9997 -38.9997 -29.4050 -29.4050 -29.3984 -29.3984 -9.9444 -9.9444 -9.3299 -9.3299 -9.2255 -9.2255 -0.5766 -0.5766 -0.4124 -0.4124 0.3441 0.3441 1.1189 1.1189 1.1880 1.1880 1.2801 1.2801 6.8312 6.8312 6.8482 6.8482 6.9078 6.9078 12.6413 12.6413 12.7307 12.7307 13.2712 13.2712 16.0513 16.0513 k = 0.5000 0.5000 0.4302 ( 2468 PWs) bands (ev): -67.5389 -67.5389 -38.9998 -38.9998 -29.4049 -29.4049 -29.4000 -29.4000 -9.9323 -9.9323 -9.3037 -9.3037 -9.2248 -9.2248 -0.5764 -0.5764 -0.4494 -0.4494 0.3052 0.3052 1.1177 1.1177 1.1669 1.1669 1.2622 1.2622 6.8492 6.8492 6.8659 6.8659 6.9084 6.9084 12.6788 12.6788 12.7472 12.7472 13.2933 13.2933 16.0278 16.0278 k = 0.5000 0.5000 0.4419 ( 2468 PWs) bands (ev): -67.5389 -67.5389 -39.0000 -39.0000 -29.4048 -29.4048 -29.4014 -29.4014 -9.9225 -9.9225 -9.2804 -9.2804 -9.2243 -9.2243 -0.5762 -0.5762 -0.4843 -0.4843 0.2750 0.2750 1.1160 1.1160 1.1490 1.1490 1.2478 1.2478 6.8641 6.8641 6.8807 6.8807 6.9091 6.9091 12.7114 12.7114 12.7606 12.7606 13.3135 13.3135 16.0078 16.0078 k = 0.5000 0.5000 0.4535 ( 2468 PWs) bands (ev): -67.5388 -67.5388 -39.0001 -39.0001 -29.4047 -29.4047 -29.4025 -29.4025 -9.9149 -9.9149 -9.2604 -9.2604 -9.2238 -9.2238 -0.5760 -0.5760 -0.5153 -0.5153 0.2522 0.2522 1.1140 1.1140 1.1344 1.1344 1.2366 1.2366 6.8759 6.8759 6.8928 6.8928 6.9100 6.9100 12.7387 12.7387 12.7710 12.7710 13.3311 13.3311 15.9914 15.9914 k = 0.5000 0.5000 0.4651 ( 2460 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4046 -29.4046 -29.4034 -29.4034 -9.9091 -9.9091 -9.2443 -9.2443 -9.2234 -9.2234 -0.5759 -0.5759 -0.5409 -0.5409 0.2356 0.2356 1.1119 1.1119 1.1231 1.1231 1.2284 1.2284 6.8846 6.8846 6.9022 6.9022 6.9112 6.9112 12.7603 12.7603 12.7789 12.7789 13.3454 13.3454 15.9786 15.9786 k = 0.5000 0.5000 0.4767 ( 2448 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4045 -29.4045 -29.4040 -29.4040 -9.9051 -9.9051 -9.2326 -9.2326 -9.2232 -9.2232 -0.5758 -0.5758 -0.5599 -0.5599 0.2243 0.2243 1.1101 1.1101 1.1150 1.1150 1.2229 1.2229 6.8903 6.8903 6.9089 6.9089 6.9126 6.9126 12.7759 12.7759 12.7843 12.7843 13.3561 13.3561 15.9695 15.9695 k = 0.5000 0.5000 0.4884 ( 2440 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4045 -29.4045 -29.4044 -29.4044 -9.9027 -9.9027 -9.2254 -9.2254 -9.2230 -9.2230 -0.5757 -0.5757 -0.5717 -0.5717 0.2178 0.2178 1.1089 1.1089 1.1101 1.1101 1.2197 1.2197 6.8934 6.8934 6.9129 6.9129 6.9138 6.9138 12.7854 12.7854 12.7875 12.7875 13.3626 13.3626 15.9640 15.9640 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -67.5388 -67.5388 -39.0002 -39.0002 -29.4045 -29.4045 -29.4045 -29.4045 -9.9020 -9.9020 -9.2230 -9.2230 -9.2230 -9.2230 -0.5757 -0.5757 -0.5757 -0.5757 0.2157 0.2157 1.1085 1.1085 1.1085 1.1085 1.2187 1.2187 6.8943 6.8943 6.9142 6.9142 6.9142 6.9142 12.7886 12.7886 12.7886 12.7886 13.3648 13.3648 15.9621 15.9621 Writing output data file WO3.save init_run : 0.16s CPU 0.28s WALL ( 1 calls) electrons : 67.98s CPU 70.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 67.98s CPU 70.60s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 328 calls) cegterg : 62.79s CPU 63.88s WALL ( 369 calls) Called by sum_band: Called by *egterg: h_psi : 29.30s CPU 30.13s WALL ( 6125 calls) s_psi : 1.18s CPU 1.26s WALL ( 6125 calls) g_psi : 0.08s CPU 0.10s WALL ( 5428 calls) cdiaghg : 30.56s CPU 30.90s WALL ( 5756 calls) cegterg:over : 2.34s CPU 2.30s WALL ( 5428 calls) cegterg:upda : 1.47s CPU 1.55s WALL ( 5428 calls) cegterg:last : 1.00s CPU 0.99s WALL ( 1025 calls) cdiaghg:chol : 1.52s CPU 1.56s WALL ( 5756 calls) cdiaghg:inve : 0.90s CPU 0.99s WALL ( 5756 calls) cdiaghg:para : 1.68s CPU 1.71s WALL ( 11512 calls) Called by h_psi: h_psi:vloc : 26.06s CPU 26.88s WALL ( 6125 calls) h_psi:vnl : 3.16s CPU 3.19s WALL ( 6125 calls) add_vuspsi : 1.57s CPU 1.60s WALL ( 6125 calls) General routines calbec : 1.58s CPU 1.58s WALL ( 6125 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.27s CPU 25.01s WALL ( 556148 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 1.27s WALL ( 656 calls) Parallel routines fft_scatter : 12.89s CPU 13.04s WALL ( 556171 calls) PWSCF : 1m18.10s CPU 1m30.94s WALL This run was terminated on: 21: 1: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=