Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:49: 7 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: ./TaF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 24 7 1058 528 87 Max 39 25 8 1062 540 90 Sum 1369 869 261 38161 19213 3191 bravais-lattice index = 14 lattice parameter (alat) = 7.3722 a.u. unit-cell volume = 400.6740 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.372199 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 Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 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 PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) F 7.00 18.99840 F( 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= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 Dense grid: 38161 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19213 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 150, 42) NL pseudopotentials 0.09 Mb ( 75, 76) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1062) G-vector shells 0.00 Mb ( 262) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 150, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.10 Mb ( 76, 2, 42) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TaF3.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 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 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 4.0 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.3 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.0 secs Computing kpt #: 19 total cpu time spent up to now is 5.3 secs Computing kpt #: 20 total cpu time spent up to now is 5.4 secs Computing kpt #: 21 total cpu time spent up to now is 5.6 secs Computing kpt #: 22 total cpu time spent up to now is 5.7 secs Computing kpt #: 23 total cpu time spent up to now is 5.9 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.2 secs Computing kpt #: 26 total cpu time spent up to now is 6.4 secs Computing kpt #: 27 total cpu time spent up to now is 6.6 secs Computing kpt #: 28 total cpu time spent up to now is 6.7 secs Computing kpt #: 29 total cpu time spent up to now is 6.9 secs Computing kpt #: 30 total cpu time spent up to now is 7.1 secs Computing kpt #: 31 total cpu time spent up 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spent up to now is 10.1 secs Computing kpt #: 48 total cpu time spent up to now is 10.3 secs Computing kpt #: 49 total cpu time spent up to now is 10.5 secs Computing kpt #: 50 total cpu time spent up to now is 10.7 secs Computing kpt #: 51 total cpu time spent up to now is 10.9 secs Computing kpt #: 52 total cpu time spent up to now is 11.1 secs Computing kpt #: 53 total cpu time spent up to now is 11.2 secs Computing kpt #: 54 total cpu time spent up to now is 11.4 secs Computing kpt #: 55 total cpu time spent up to now is 11.6 secs Computing kpt #: 56 total cpu time spent up to now is 11.8 secs Computing kpt #: 57 total cpu time spent up to now is 11.9 secs Computing kpt #: 58 total cpu time spent up to now is 12.1 secs Computing kpt #: 59 total cpu time spent up to now is 12.3 secs Computing kpt #: 60 total cpu time spent up to now is 12.4 secs Computing kpt #: 61 total cpu time spent up to now is 12.6 secs Computing kpt #: 62 total cpu time spent up to now is 12.8 secs Computing kpt #: 63 total cpu time spent up to now is 13.0 secs Computing kpt #: 64 total cpu time spent up to now is 13.1 secs Computing kpt #: 65 total cpu time spent up to now is 13.3 secs Computing kpt #: 66 total cpu time spent up to now is 13.5 secs Computing kpt #: 67 total cpu time spent up to now is 13.7 secs Computing kpt #: 68 total cpu time spent up to now is 13.8 secs Computing kpt #: 69 total cpu time spent up to now is 14.0 secs Computing kpt #: 70 total cpu time spent up to now is 14.2 secs Computing kpt #: 71 total cpu time spent up to now is 14.4 secs Computing kpt #: 72 total cpu time spent up to now is 14.5 secs Computing kpt #: 73 total cpu time spent up to now is 14.7 secs Computing kpt #: 74 total cpu time spent up to now is 14.9 secs Computing kpt #: 75 total cpu time spent up to now is 15.1 secs Computing kpt #: 76 total cpu time spent up to now is 15.3 secs Computing kpt #: 77 total cpu time spent up to now is 15.5 secs Computing kpt #: 78 total cpu time spent up to now is 15.7 secs Computing kpt #: 79 total cpu time spent up to now is 15.9 secs Computing kpt #: 80 total cpu time spent up to now is 16.1 secs Computing kpt #: 81 total cpu time spent up to now is 16.3 secs Computing kpt #: 82 total cpu time spent up to now is 16.5 secs Computing kpt #: 83 total cpu time spent up to now is 16.8 secs Computing kpt #: 84 total cpu time spent up to now is 17.0 secs Computing kpt #: 85 total cpu time spent up to now is 17.3 secs Computing kpt #: 86 total cpu time spent up to now is 17.5 secs Computing kpt #: 87 total cpu time spent up to now is 17.7 secs Computing kpt #: 88 total cpu time spent up to now is 17.9 secs Computing kpt #: 89 total cpu time spent up to now is 18.1 secs Computing kpt #: 90 total cpu time spent up to now is 18.3 secs Computing kpt #: 91 total cpu time spent up to now is 18.5 secs Computing kpt #: 92 total cpu time spent up to now is 18.7 secs Computing kpt #: 93 total cpu time spent up to now is 18.8 secs Computing kpt #: 94 total cpu time spent up to now is 19.0 secs Computing kpt #: 95 total cpu time spent up to now is 19.2 secs Computing kpt #: 96 total cpu time spent up to now is 19.4 secs Computing kpt #: 97 total cpu time spent up to now is 19.6 secs Computing kpt #: 98 total cpu time spent up to now is 19.8 secs Computing kpt #: 99 total cpu time spent up to now is 19.9 secs Computing kpt #: 100 total cpu time spent up to now is 20.1 secs Computing kpt #: 101 total cpu time spent up to now is 20.3 secs Computing kpt #: 102 total cpu time spent up to now is 20.5 secs Computing kpt #: 103 total cpu time spent up to now is 20.6 secs Computing kpt #: 104 total cpu time spent up to now is 20.8 secs Computing kpt #: 105 total cpu time spent up to now is 21.0 secs Computing kpt #: 106 total cpu time spent up to now is 21.2 secs Computing kpt #: 107 total cpu time spent up to now is 21.3 secs Computing kpt #: 108 total cpu time spent up to now is 21.5 secs Computing kpt #: 109 total cpu time spent up to now is 21.7 secs Computing kpt #: 110 total cpu time spent up to now is 21.8 secs Computing kpt #: 111 total cpu time spent up to now is 22.0 secs Computing kpt #: 112 total cpu time spent up to now is 22.2 secs Computing kpt #: 113 total cpu time spent up to now is 22.3 secs Computing kpt #: 114 total cpu time spent up to now is 22.5 secs Computing kpt #: 115 total cpu time spent up to now is 22.7 secs Computing kpt #: 116 total cpu time spent up to now is 22.8 secs Computing kpt #: 117 total cpu time spent up to now is 23.0 secs Computing kpt #: 118 total cpu time spent up to now is 23.2 secs Computing kpt #: 119 total cpu time spent up to now is 23.4 secs Computing kpt #: 120 total cpu time spent up to now is 23.5 secs Computing kpt #: 121 total cpu time spent up to now is 23.7 secs Computing kpt #: 122 total cpu time spent up to now is 23.9 secs Computing kpt #: 123 total cpu time spent up to now is 24.0 secs Computing kpt #: 124 total cpu time spent up to now is 24.2 secs Computing kpt 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secs Computing kpt #: 156 total cpu time spent up to now is 30.0 secs Computing kpt #: 157 total cpu time spent up to now is 30.2 secs Computing kpt #: 158 total cpu time spent up to now is 30.4 secs Computing kpt #: 159 total cpu time spent up to now is 30.6 secs Computing kpt #: 160 total cpu time spent up to now is 30.8 secs Computing kpt #: 161 total cpu time spent up to now is 31.0 secs Computing kpt #: 162 total cpu time spent up to now is 31.2 secs Computing kpt #: 163 total cpu time spent up to now is 31.4 secs Computing kpt #: 164 total cpu time spent up to now is 31.6 secs Computing kpt #: 165 total cpu time spent up to now is 31.8 secs Computing kpt #: 166 total cpu time spent up to now is 32.0 secs Computing kpt #: 167 total cpu time spent up to now is 32.2 secs Computing kpt #: 168 total cpu time spent up to now is 32.4 secs Computing kpt #: 169 total cpu time spent up to now is 32.5 secs Computing kpt #: 170 total cpu time spent up to now is 32.7 secs Computing kpt #: 171 total cpu time spent up to now is 32.9 secs Computing kpt #: 172 total cpu time spent up to now is 33.1 secs Computing kpt #: 173 total cpu time spent up to now is 33.3 secs Computing kpt #: 174 total cpu time spent up to now is 33.5 secs Computing kpt #: 175 total cpu time spent up to now is 33.7 secs Computing kpt #: 176 total cpu time spent up to now is 33.9 secs Computing kpt #: 177 total cpu time spent up to now is 34.1 secs Computing kpt #: 178 total cpu time spent up to now is 34.3 secs Computing kpt #: 179 total cpu time spent up to now is 34.5 secs Computing kpt #: 180 total cpu time spent up to now is 34.7 secs Computing kpt #: 181 total cpu time spent up to now is 34.9 secs Computing kpt #: 182 total cpu time spent up to now is 35.1 secs Computing kpt #: 183 total cpu time spent up to now is 35.3 secs Computing kpt #: 184 total cpu time spent up to now is 35.5 secs Computing kpt #: 185 total cpu time spent up to now is 35.7 secs Computing kpt #: 186 total cpu time spent up to now is 35.9 secs Computing kpt #: 187 total cpu time spent up to now is 36.1 secs Computing kpt #: 188 total cpu time spent up to now is 36.3 secs Computing kpt #: 189 total cpu time spent up to now is 36.6 secs Computing kpt #: 190 total cpu time spent up to now is 36.8 secs Computing kpt #: 191 total cpu time spent up to now is 37.0 secs Computing kpt #: 192 total cpu time spent up to now is 37.2 secs Computing kpt #: 193 total cpu time spent up to now is 37.5 secs Computing kpt #: 194 total cpu time spent up to now is 37.7 secs Computing kpt #: 195 total cpu time spent up to now is 37.9 secs Computing kpt #: 196 total cpu time spent up to now is 38.1 secs Computing kpt #: 197 total cpu time spent up to now is 38.4 secs Computing kpt #: 198 total cpu time spent up to now is 38.6 secs Computing kpt #: 199 total cpu time spent up to now is 38.8 secs Computing kpt #: 200 total cpu time spent up to now is 39.0 secs Computing kpt #: 201 total cpu time spent up to now is 39.2 secs Computing kpt #: 202 total cpu time spent up to now is 39.4 secs Computing kpt #: 203 total cpu time spent up to now is 39.6 secs Computing kpt #: 204 total cpu time spent up to now is 39.8 secs Computing kpt #: 205 total cpu time spent up to now is 40.0 secs Computing kpt #: 206 total cpu time spent up to now is 40.5 secs Computing kpt #: 207 total cpu time spent up to now is 40.8 secs Computing kpt #: 208 total cpu time spent up to now is 41.0 secs Computing kpt #: 209 total cpu time spent up to now is 41.3 secs Computing kpt #: 210 total cpu time spent up to now is 41.6 secs Computing kpt #: 211 total cpu time spent up to now is 41.9 secs Computing kpt #: 212 total cpu time spent up to now is 42.1 secs Computing kpt #: 213 total cpu time spent up to now is 42.4 secs Computing kpt #: 214 total cpu time spent up to now is 42.6 secs Computing kpt #: 215 total cpu time spent up to now is 42.9 secs Computing kpt #: 216 total cpu time spent up to now is 43.2 secs Computing kpt #: 217 total cpu time spent up to now is 43.5 secs Computing kpt #: 218 total cpu time spent up to now is 43.8 secs Computing kpt #: 219 total cpu time spent up to now is 44.0 secs Computing kpt #: 220 total cpu time spent up to now is 44.3 secs Computing kpt #: 221 total cpu time spent up to now is 44.5 secs Computing kpt #: 222 total cpu time spent up to now is 44.7 secs Computing kpt #: 223 total cpu time spent up to now is 44.9 secs Computing kpt #: 224 total cpu time spent up to now is 45.2 secs Computing kpt #: 225 total cpu time spent up to now is 45.4 secs Computing kpt #: 226 total cpu time spent up to now is 45.6 secs Computing kpt #: 227 total cpu time spent up to now is 45.8 secs Computing kpt #: 228 total cpu time spent up to now is 46.0 secs Computing kpt #: 229 total cpu time spent up to now is 46.2 secs Computing kpt #: 230 total cpu time spent up to now is 46.4 secs Computing kpt #: 231 total cpu time spent up to now is 46.6 secs Computing kpt #: 232 total cpu time spent up to now is 46.8 secs Computing kpt #: 233 total cpu time spent up to now is 47.0 secs Computing kpt #: 234 total cpu time spent up to now is 47.2 secs Computing kpt #: 235 total cpu time spent up to now is 47.4 secs Computing kpt #: 236 total cpu time spent up to now is 47.6 secs Computing kpt #: 237 total cpu time spent up to now is 47.7 secs Computing kpt #: 238 total cpu time spent up to now is 47.9 secs Computing kpt #: 239 total cpu time spent up to now is 48.1 secs Computing kpt #: 240 total cpu time spent up to now is 48.3 secs Computing kpt #: 241 total cpu time spent up to now is 48.5 secs Computing kpt #: 242 total cpu time spent up to now is 48.7 secs Computing kpt #: 243 total cpu time spent up to now is 48.8 secs Computing kpt #: 244 total cpu time spent up to now is 49.0 secs Computing kpt #: 245 total cpu time spent up to now is 49.2 secs Computing kpt #: 246 total cpu time spent up to now is 49.4 secs Computing kpt #: 247 total cpu time spent up to now is 49.6 secs Computing kpt #: 248 total cpu time spent up to now is 49.7 secs Computing kpt #: 249 total cpu time spent up to now is 49.9 secs Computing kpt #: 250 total cpu time spent up to now is 50.1 secs Computing kpt #: 251 total cpu time spent up to now is 50.3 secs Computing kpt #: 252 total cpu time spent up to now is 50.5 secs Computing kpt #: 253 total cpu time spent up to now is 50.6 secs Computing kpt #: 254 total cpu time spent up to now is 50.8 secs Computing kpt #: 255 total cpu time spent up to now is 51.0 secs Computing kpt #: 256 total cpu time spent up to now is 51.1 secs Computing kpt #: 257 total cpu time spent up to now is 51.3 secs Computing kpt #: 258 total cpu time spent up to now is 51.5 secs Computing kpt #: 259 total cpu time spent up to now is 51.7 secs Computing kpt #: 260 total cpu time spent up to now is 51.8 secs Computing kpt #: 261 total cpu time spent up to now is 52.0 secs Computing kpt #: 262 total cpu time spent up to now is 52.2 secs Computing kpt #: 263 total cpu time spent up to now is 52.3 secs Computing kpt #: 264 total cpu time spent up to now is 52.5 secs Computing kpt #: 265 total cpu time spent up to now is 52.7 secs Computing kpt #: 266 total cpu time spent up to now is 52.9 secs Computing kpt #: 267 total cpu time spent up to now is 53.1 secs Computing kpt #: 268 total cpu time spent up to now is 53.3 secs Computing kpt #: 269 total cpu time spent up to now is 53.4 secs Computing kpt #: 270 total cpu time spent up to now is 53.6 secs Computing kpt #: 271 total cpu time spent up to now is 53.8 secs Computing kpt #: 272 total cpu time spent up to now is 54.0 secs Computing kpt #: 273 total cpu time spent up to now is 54.3 secs Computing kpt #: 274 total cpu time spent up to now is 54.5 secs Computing kpt #: 275 total cpu time spent up to now is 54.7 secs Computing kpt #: 276 total cpu time spent up to now is 54.9 secs Computing kpt #: 277 total cpu time spent up to now is 55.1 secs Computing kpt #: 278 total cpu time spent up to now is 55.4 secs Computing kpt #: 279 total cpu time spent up to now is 55.5 secs Computing kpt #: 280 total cpu time spent up to now is 55.7 secs Computing kpt #: 281 total cpu time spent up to now is 55.9 secs Computing kpt #: 282 total cpu time spent up to now is 56.1 secs Computing kpt #: 283 total cpu time spent up to now is 56.3 secs Computing kpt #: 284 total cpu time spent up to now is 56.4 secs Computing kpt #: 285 total cpu time spent up to now is 56.6 secs Computing kpt #: 286 total cpu time spent up to now is 56.8 secs Computing kpt #: 287 total cpu time spent up to now is 57.0 secs Computing kpt #: 288 total cpu time spent up to now is 57.1 secs Computing kpt #: 289 total cpu time spent up to now is 57.3 secs Computing kpt #: 290 total cpu time spent up to now is 57.5 secs Computing kpt #: 291 total cpu time spent up to now is 57.7 secs Computing kpt #: 292 total cpu time spent up to now is 57.9 secs Computing kpt #: 293 total cpu time spent up to now is 58.1 secs Computing kpt #: 294 total cpu time spent up to now is 58.3 secs Computing kpt #: 295 total cpu time spent up to now is 58.5 secs Computing kpt #: 296 total cpu time spent up to now is 58.7 secs Computing kpt #: 297 total cpu time spent up to now is 58.9 secs Computing kpt #: 298 total cpu time spent up to now is 59.1 secs Computing kpt #: 299 total cpu time spent up to now is 59.3 secs Computing kpt #: 300 total cpu time spent up to now is 59.5 secs Computing kpt #: 301 total cpu time spent up to now is 59.7 secs Computing kpt #: 302 total cpu time spent up to now is 59.9 secs Computing kpt #: 303 total cpu time spent up to now is 60.2 secs Computing kpt #: 304 total cpu time spent up to now is 60.4 secs Computing kpt #: 305 total cpu time spent up to now is 60.6 secs Computing kpt #: 306 total cpu time spent up to now is 60.8 secs Computing kpt #: 307 total cpu time spent up to now is 61.1 secs Computing kpt #: 308 total cpu time spent up to now is 61.3 secs Computing kpt #: 309 total cpu time spent up to now is 61.6 secs Computing kpt #: 310 total cpu time spent up to now is 61.8 secs Computing kpt #: 311 total cpu time spent up to now is 62.1 secs Computing kpt #: 312 total cpu time spent up to now is 62.4 secs Computing kpt #: 313 total cpu time spent up to now is 62.7 secs ethr = 2.94E-08, avg # of iterations = 18.0 total cpu time spent up to now is 62.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -59.8793 -59.8793 -32.9558 -32.9558 -24.5086 -24.5086 -24.5086 -24.5086 -18.9150 -18.9150 -18.6072 -18.6072 -18.6072 -18.6072 -0.5069 -0.5069 0.2166 0.2166 0.2166 0.2166 0.8112 0.8112 0.8849 0.8849 0.8849 0.8849 0.9148 0.9148 0.9819 0.9819 0.9819 0.9819 8.8213 8.8213 8.8213 8.8213 9.2360 9.2360 9.6827 9.6827 12.8799 12.8799 k = 0.0000 0.0122-0.0000 ( 2389 PWs) bands (ev): -59.8793 -59.8793 -32.9558 -32.9558 -24.5094 -24.5094 -24.5086 -24.5086 -18.9143 -18.9143 -18.6072 -18.6072 -18.6061 -18.6061 -0.5077 -0.5077 0.2151 0.2151 0.2166 0.2166 0.8102 0.8102 0.8843 0.8843 0.8845 0.8845 0.9143 0.9143 0.9793 0.9793 0.9817 0.9817 8.8222 8.8222 8.8236 8.8236 9.2376 9.2376 9.6851 9.6851 12.8801 12.8801 k = 0.0000 0.0244-0.0000 ( 2397 PWs) bands (ev): -59.8793 -59.8793 -32.9560 -32.9560 -24.5117 -24.5117 -24.5086 -24.5086 -18.9121 -18.9121 -18.6072 -18.6072 -18.6025 -18.6025 -0.5098 -0.5098 0.2109 0.2109 0.2165 0.2165 0.8071 0.8071 0.8826 0.8826 0.8832 0.8832 0.9128 0.9128 0.9714 0.9714 0.9810 0.9810 8.8247 8.8247 8.8306 8.8306 9.2423 9.2423 9.6922 9.6922 12.8807 12.8807 k = 0.0000 0.0366-0.0000 ( 2397 PWs) bands (ev): -59.8793 -59.8793 -32.9563 -32.9563 -24.5154 -24.5154 -24.5085 -24.5085 -18.9085 -18.9085 -18.6072 -18.6072 -18.5963 -18.5963 -0.5135 -0.5135 0.2039 0.2039 0.2164 0.2164 0.8017 0.8017 0.8798 0.8798 0.8810 0.8810 0.9104 0.9104 0.9589 0.9589 0.9799 0.9799 8.8288 8.8288 8.8421 8.8421 9.2504 9.2504 9.7041 9.7041 12.8817 12.8817 k = 0.0000 0.0488-0.0000 ( 2413 PWs) bands (ev): -59.8793 -59.8793 -32.9566 -32.9566 -24.5206 -24.5206 -24.5085 -24.5085 -18.9038 -18.9038 -18.6072 -18.6072 -18.5876 -18.5876 -0.5189 -0.5189 0.1939 0.1939 0.2162 0.2162 0.7936 0.7936 0.8760 0.8760 0.8778 0.8778 0.9072 0.9072 0.9428 0.9428 0.9786 0.9786 8.8342 8.8342 8.8582 8.8582 9.2618 9.2618 9.7206 9.7206 12.8830 12.8830 k = 0.0000 0.0610-0.0000 ( 2409 PWs) bands (ev): -59.8793 -59.8793 -32.9571 -32.9571 -24.5272 -24.5272 -24.5084 -24.5084 -18.8982 -18.8982 -18.6071 -18.6071 -18.5761 -18.5761 -0.5262 -0.5262 0.1810 0.1810 0.2160 0.2160 0.7821 0.7821 0.8708 0.8708 0.8732 0.8732 0.9033 0.9033 0.9245 0.9245 0.9771 0.9771 8.8409 8.8409 8.8787 8.8787 9.2767 9.2767 9.7417 9.7417 12.8848 12.8848 k = 0.0000 0.0732-0.0000 ( 2405 PWs) bands (ev): -59.8793 -59.8793 -32.9577 -32.9577 -24.5351 -24.5351 -24.5082 -24.5082 -18.8918 -18.8918 -18.6070 -18.6070 -18.5617 -18.5617 -0.5356 -0.5356 0.1649 0.1649 0.2158 0.2158 0.7668 0.7668 0.8632 0.8632 0.8670 0.8670 0.8989 0.8989 0.9067 0.9067 0.9757 0.9757 8.8485 8.8485 8.9036 8.9036 9.2953 9.2953 9.7671 9.7671 12.8870 12.8870 k = 0.0000 0.0854-0.0000 ( 2405 PWs) bands (ev): -59.8793 -59.8793 -32.9584 -32.9584 -24.5442 -24.5442 -24.5081 -24.5081 -18.8851 -18.8851 -18.6069 -18.6069 -18.5441 -18.5441 -0.5478 -0.5478 0.1458 0.1458 0.2155 0.2155 0.7475 0.7475 0.8507 0.8507 0.8590 0.8590 0.8928 0.8928 0.8944 0.8944 0.9743 0.9743 8.8568 8.8568 8.9326 8.9326 9.3175 9.3175 9.7969 9.7969 12.8896 12.8896 k = 0.0000 0.0976-0.0000 ( 2413 PWs) bands (ev): -59.8792 -59.8792 -32.9592 -32.9592 -24.5546 -24.5546 -24.5079 -24.5079 -18.8783 -18.8783 -18.6067 -18.6067 -18.5235 -18.5235 -0.5632 -0.5632 0.1237 0.1237 0.2152 0.2152 0.7242 0.7242 0.8329 0.8329 0.8490 0.8490 0.8845 0.8845 0.8899 0.8899 0.9731 0.9731 8.8655 8.8655 8.9656 8.9656 9.3434 9.3434 9.8308 9.8308 12.8924 12.8924 k = 0.0000 0.1098-0.0000 ( 2413 PWs) bands (ev): -59.8792 -59.8792 -32.9600 -32.9600 -24.5661 -24.5661 -24.5077 -24.5077 -18.8715 -18.8715 -18.6066 -18.6066 -18.4995 -18.4995 -0.5824 -0.5824 0.0988 0.0988 0.2148 0.2148 0.6977 0.6977 0.8122 0.8122 0.8371 0.8371 0.8798 0.8798 0.8853 0.8853 0.9721 0.9721 8.8745 8.8745 9.0024 9.0024 9.3732 9.3732 9.8687 9.8687 12.8956 12.8956 k = 0.0000 0.1220-0.0000 ( 2421 PWs) bands (ev): -59.8792 -59.8792 -32.9610 -32.9610 -24.5786 -24.5786 -24.5075 -24.5075 -18.8650 -18.8650 -18.6064 -18.6064 -18.4724 -18.4724 -0.6062 -0.6062 0.0716 0.0716 0.2143 0.2143 0.6691 0.6691 0.7902 0.7902 0.8235 0.8235 0.8769 0.8769 0.8808 0.8808 0.9712 0.9712 8.8834 8.8834 9.0427 9.0427 9.4066 9.4066 9.9104 9.9104 12.8991 12.8991 k = 0.0000 0.1341-0.0000 ( 2417 PWs) bands (ev): -59.8791 -59.8791 -32.9620 -32.9620 -24.5920 -24.5920 -24.5073 -24.5073 -18.8588 -18.8588 -18.6062 -18.6062 -18.4420 -18.4420 -0.6355 -0.6355 0.0430 0.0430 0.2138 0.2138 0.6396 0.6396 0.7676 0.7676 0.8084 0.8084 0.8750 0.8750 0.8762 0.8762 0.9705 0.9705 8.8922 8.8922 9.0863 9.0863 9.4438 9.4438 9.9558 9.9558 12.9029 12.9029 k = 0.0000 0.1463-0.0000 ( 2417 PWs) bands (ev): -59.8791 -59.8791 -32.9631 -32.9631 -24.6063 -24.6063 -24.5070 -24.5070 -18.8532 -18.8532 -18.6060 -18.6060 -18.4086 -18.4086 -0.6712 -0.6712 0.0138 0.0138 0.2131 0.2131 0.6102 0.6102 0.7445 0.7445 0.7920 0.7920 0.8715 0.8715 0.8737 0.8737 0.9700 0.9700 8.9008 8.9008 9.1331 9.1331 9.4844 9.4844 10.0048 10.0048 12.9070 12.9070 k = 0.0000 0.1585-0.0000 ( 2417 PWs) bands (ev): -59.8790 -59.8790 -32.9643 -32.9643 -24.6212 -24.6212 -24.5068 -24.5068 -18.8480 -18.8480 -18.6058 -18.6058 -18.3724 -18.3724 -0.7140 -0.7140 -0.0149 -0.0149 0.2124 0.2124 0.5816 0.5816 0.7208 0.7208 0.7745 0.7745 0.8668 0.8668 0.8728 0.8728 0.9695 0.9695 8.9091 8.9091 9.1826 9.1826 9.5283 9.5283 10.0572 10.0572 12.9113 12.9113 k = 0.0000 0.1707-0.0000 ( 2417 PWs) bands (ev): -59.8790 -59.8790 -32.9655 -32.9655 -24.6367 -24.6367 -24.5065 -24.5065 -18.8433 -18.8433 -18.6056 -18.6056 -18.3336 -18.3336 -0.7644 -0.7644 -0.0420 -0.0420 0.2116 0.2116 0.5544 0.5544 0.6966 0.6966 0.7561 0.7561 0.8619 0.8619 0.8722 0.8722 0.9692 0.9692 8.9171 8.9171 9.2347 9.2347 9.5752 9.5752 10.1128 10.1128 12.9158 12.9158 k = 0.0000 0.1829-0.0000 ( 2413 PWs) bands (ev): -59.8789 -59.8789 -32.9668 -32.9668 -24.6527 -24.6527 -24.5062 -24.5062 -18.8390 -18.8390 -18.6054 -18.6054 -18.2924 -18.2924 -0.8225 -0.8225 -0.0666 -0.0666 0.2106 0.2106 0.5288 0.5288 0.6719 0.6719 0.7370 0.7370 0.8569 0.8569 0.8718 0.8718 0.9690 0.9690 8.9247 8.9247 9.2890 9.2890 9.6249 9.6249 10.1716 10.1716 12.9205 12.9205 k = 0.0000 0.1951-0.0000 ( 2413 PWs) bands (ev): -59.8788 -59.8788 -32.9681 -32.9681 -24.6691 -24.6691 -24.5059 -24.5059 -18.8352 -18.8352 -18.6052 -18.6052 -18.2493 -18.2493 -0.8881 -0.8881 -0.0883 -0.0883 0.2095 0.2095 0.5047 0.5047 0.6468 0.6468 0.7174 0.7174 0.8517 0.8517 0.8716 0.8716 0.9689 0.9689 8.9320 8.9320 9.3453 9.3453 9.6769 9.6769 10.2335 10.2335 12.9253 12.9253 k = 0.0000 0.2073-0.0000 ( 2413 PWs) bands (ev): -59.8788 -59.8788 -32.9695 -32.9695 -24.6858 -24.6858 -24.5056 -24.5056 -18.8318 -18.8318 -18.6049 -18.6049 -18.2043 -18.2043 -0.9605 -0.9605 -0.1068 -0.1068 0.2083 0.2083 0.4821 0.4821 0.6212 0.6212 0.6974 0.6974 0.8466 0.8466 0.8715 0.8715 0.9688 0.9688 8.9388 8.9388 9.4032 9.4032 9.7310 9.7310 10.2982 10.2982 12.9303 12.9303 k = 0.0000 0.2195-0.0000 ( 2413 PWs) bands (ev): -59.8787 -59.8787 -32.9709 -32.9709 -24.7026 -24.7026 -24.5053 -24.5053 -18.8287 -18.8287 -18.6047 -18.6047 -18.1580 -18.1580 -1.0389 -1.0389 -0.1220 -0.1220 0.2068 0.2068 0.4609 0.4609 0.5954 0.5954 0.6772 0.6772 0.8413 0.8413 0.8714 0.8714 0.9688 0.9688 8.9455 8.9455 9.4623 9.4623 9.7867 9.7867 10.3658 10.3658 12.9353 12.9353 k = 0.0000 0.2317-0.0000 ( 2413 PWs) bands (ev): -59.8787 -59.8787 -32.9723 -32.9723 -24.7195 -24.7195 -24.5049 -24.5049 -18.8259 -18.8259 -18.6044 -18.6044 -18.1105 -18.1105 -1.1220 -1.1220 -0.1343 -0.1343 0.2053 0.2053 0.4409 0.4409 0.5695 0.5695 0.6570 0.6570 0.8360 0.8360 0.8715 0.8715 0.9688 0.9688 8.9518 8.9518 9.5225 9.5225 9.8437 9.8437 10.4361 10.4361 12.9404 12.9404 k = 0.0000 0.2439-0.0000 ( 2409 PWs) bands (ev): -59.8786 -59.8786 -32.9737 -32.9737 -24.7363 -24.7363 -24.5046 -24.5046 -18.8234 -18.8234 -18.6042 -18.6042 -18.0623 -18.0623 -1.2088 -1.2088 -0.1439 -0.1439 0.2035 0.2035 0.4219 0.4219 0.5436 0.5436 0.6370 0.6370 0.8307 0.8307 0.8715 0.8715 0.9689 0.9689 8.9578 8.9578 9.5832 9.5832 9.9017 9.9017 10.5090 10.5090 12.9455 12.9455 k = 0.0000 0.2561-0.0000 ( 2409 PWs) bands (ev): -59.8785 -59.8785 -32.9751 -32.9751 -24.7530 -24.7530 -24.5043 -24.5043 -18.8212 -18.8212 -18.6039 -18.6039 -18.0135 -18.0135 -1.2982 -1.2982 -0.1511 -0.1511 0.2015 0.2015 0.4038 0.4038 0.5179 0.5179 0.6173 0.6173 0.8254 0.8254 0.8717 0.8717 0.9690 0.9690 8.9635 8.9635 9.6442 9.6442 9.9602 9.9602 10.5845 10.5845 12.9506 12.9506 k = 0.0000 0.2683-0.0000 ( 2413 PWs) bands (ev): -59.8785 -59.8785 -32.9765 -32.9765 -24.7695 -24.7695 -24.5040 -24.5040 -18.8192 -18.8192 -18.6037 -18.6037 -17.9647 -17.9647 -1.3890 -1.3890 -0.1562 -0.1562 0.1993 0.1993 0.3862 0.3862 0.4926 0.4926 0.5980 0.5980 0.8201 0.8201 0.8719 0.8719 0.9691 0.9691 8.9690 8.9690 9.7052 9.7052 10.0189 10.0189 10.6624 10.6624 12.9557 12.9557 k = 0.0000 0.2805-0.0000 ( 2405 PWs) bands (ev): -59.8784 -59.8784 -32.9780 -32.9780 -24.7857 -24.7857 -24.5036 -24.5036 -18.8173 -18.8173 -18.6034 -18.6034 -17.9159 -17.9159 -1.4803 -1.4803 -0.1595 -0.1595 0.1969 0.1969 0.3691 0.3691 0.4680 0.4680 0.5793 0.5793 0.8149 0.8149 0.8721 0.8721 0.9692 0.9692 8.9743 8.9743 9.7657 9.7657 10.0775 10.0775 10.7427 10.7427 12.9608 12.9608 k = 0.0000 0.2927-0.0000 ( 2397 PWs) bands (ev): -59.8783 -59.8783 -32.9794 -32.9794 -24.8014 -24.8014 -24.5033 -24.5033 -18.8157 -18.8157 -18.6032 -18.6032 -17.8677 -17.8677 -1.5713 -1.5713 -0.1611 -0.1611 0.1942 0.1942 0.3522 0.3522 0.4443 0.4443 0.5613 0.5613 0.8098 0.8098 0.8723 0.8723 0.9694 0.9694 8.9793 8.9793 9.8255 9.8255 10.1354 10.1354 10.8252 10.8252 12.9658 12.9658 k = 0.0000 0.3049-0.0000 ( 2396 PWs) bands (ev): -59.8783 -59.8783 -32.9807 -32.9807 -24.8167 -24.8167 -24.5030 -24.5030 -18.8141 -18.8141 -18.6029 -18.6029 -17.8202 -17.8202 -1.6610 -1.6610 -0.1614 -0.1614 0.1913 0.1913 0.3352 0.3352 0.4217 0.4217 0.5441 0.5441 0.8047 0.8047 0.8726 0.8726 0.9696 0.9696 8.9840 8.9840 9.8842 9.8842 10.1924 10.1924 10.9100 10.9100 12.9707 12.9707 k = 0.0000 0.3171-0.0000 ( 2388 PWs) bands (ev): -59.8782 -59.8782 -32.9820 -32.9820 -24.8314 -24.8314 -24.5027 -24.5027 -18.8128 -18.8128 -18.6027 -18.6027 -17.7738 -17.7738 -1.7488 -1.7488 -0.1605 -0.1605 0.1882 0.1882 0.3179 0.3179 0.4007 0.4007 0.5279 0.5279 0.7999 0.7999 0.8728 0.8728 0.9698 0.9698 8.9885 8.9885 9.9415 9.9415 10.2481 10.2481 10.9969 10.9969 12.9754 12.9754 k = 0.0000 0.3293-0.0000 ( 2388 PWs) bands (ev): -59.8781 -59.8781 -32.9833 -32.9833 -24.8454 -24.8454 -24.5024 -24.5024 -18.8116 -18.8116 -18.6024 -18.6024 -17.7288 -17.7288 -1.8339 -1.8339 -0.1584 -0.1584 0.1848 0.1848 0.3000 0.3000 0.3815 0.3815 0.5126 0.5126 0.7952 0.7952 0.8731 0.8731 0.9700 0.9700 8.9927 8.9927 9.9969 9.9969 10.3021 10.3021 11.0859 11.0859 12.9799 12.9799 k = 0.0000 0.3415-0.0000 ( 2384 PWs) bands (ev): -59.8781 -59.8781 -32.9846 -32.9846 -24.8589 -24.8589 -24.5021 -24.5021 -18.8104 -18.8104 -18.6022 -18.6022 -17.6854 -17.6854 -1.9158 -1.9158 -0.1554 -0.1554 0.1813 0.1813 0.2816 0.2816 0.3643 0.3643 0.4984 0.4984 0.7908 0.7908 0.8733 0.8733 0.9702 0.9702 8.9967 8.9967 10.0503 10.0503 10.3541 10.3541 11.1768 11.1768 12.9843 12.9843 k = 0.0000 0.3537-0.0000 ( 2384 PWs) bands (ev): -59.8780 -59.8780 -32.9857 -32.9857 -24.8715 -24.8715 -24.5019 -24.5019 -18.8094 -18.8094 -18.6020 -18.6020 -17.6439 -17.6439 -1.9938 -1.9938 -0.1515 -0.1515 0.1777 0.1777 0.2625 0.2625 0.3491 0.3491 0.4853 0.4853 0.7865 0.7865 0.8736 0.8736 0.9703 0.9703 9.0004 9.0004 10.1012 10.1012 10.4038 10.4038 11.2696 11.2696 12.9885 12.9885 k = 0.0000 0.3659-0.0000 ( 2392 PWs) bands (ev): -59.8780 -59.8780 -32.9869 -32.9869 -24.8833 -24.8833 -24.5016 -24.5016 -18.8085 -18.8085 -18.6018 -18.6018 -17.6047 -17.6047 -2.0675 -2.0675 -0.1469 -0.1469 0.1739 0.1739 0.2431 0.2431 0.3358 0.3358 0.4734 0.4734 0.7825 0.7825 0.8738 0.8738 0.9705 0.9705 9.0038 9.0038 10.1492 10.1492 10.4507 10.4507 11.3642 11.3642 12.9923 12.9923 k = 0.0000 0.3780-0.0000 ( 2384 PWs) bands (ev): -59.8779 -59.8779 -32.9879 -32.9879 -24.8942 -24.8942 -24.5014 -24.5014 -18.8077 -18.8077 -18.6017 -18.6017 -17.5680 -17.5680 -2.1363 -2.1363 -0.1415 -0.1415 0.1701 0.1701 0.2237 0.2237 0.3242 0.3242 0.4626 0.4626 0.7787 0.7787 0.8741 0.8741 0.9707 0.9707 9.0070 9.0070 10.1943 10.1943 10.4947 10.4947 11.4606 11.4606 12.9960 12.9960 k = 0.0000 0.3902-0.0000 ( 2396 PWs) bands (ev): -59.8779 -59.8779 -32.9888 -32.9888 -24.9043 -24.9043 -24.5012 -24.5012 -18.8070 -18.8070 -18.6015 -18.6015 -17.5339 -17.5339 -2.1999 -2.1999 -0.1356 -0.1356 0.1663 0.1663 0.2045 0.2045 0.3141 0.3141 0.4529 0.4529 0.7752 0.7752 0.8743 0.8743 0.9708 0.9708 9.0099 9.0099 10.2359 10.2359 10.5354 10.5354 11.5585 11.5585 12.9993 12.9993 k = 0.0000 0.4024-0.0000 ( 2396 PWs) bands (ev): -59.8779 -59.8779 -32.9897 -32.9897 -24.9134 -24.9134 -24.5010 -24.5010 -18.8063 -18.8063 -18.6014 -18.6014 -17.5028 -17.5028 -2.2579 -2.2579 -0.1293 -0.1293 0.1626 0.1626 0.1858 0.1858 0.3053 0.3053 0.4445 0.4445 0.7721 0.7721 0.8745 0.8745 0.9710 0.9710 9.0125 9.0125 10.2740 10.2740 10.5727 10.5727 11.6580 11.6580 13.0023 13.0023 k = 0.0000 0.4146-0.0000 ( 2396 PWs) bands (ev): -59.8778 -59.8778 -32.9905 -32.9905 -24.9215 -24.9215 -24.5008 -24.5008 -18.8058 -18.8058 -18.6012 -18.6012 -17.4748 -17.4748 -2.3098 -2.3098 -0.1226 -0.1226 0.1591 0.1591 0.1680 0.1680 0.2978 0.2978 0.4371 0.4371 0.7693 0.7693 0.8747 0.8747 0.9711 0.9711 9.0149 9.0149 10.3082 10.3082 10.6061 10.6061 11.7590 11.7590 13.0051 13.0051 k = 0.0000 0.4268-0.0000 ( 2396 PWs) bands (ev): -59.8778 -59.8778 -32.9912 -32.9912 -24.9286 -24.9286 -24.5006 -24.5006 -18.8053 -18.8053 -18.6011 -18.6011 -17.4502 -17.4502 -2.3554 -2.3554 -0.1157 -0.1157 0.1514 0.1514 0.1559 0.1559 0.2914 0.2914 0.4309 0.4309 0.7668 0.7668 0.8748 0.8748 0.9712 0.9712 9.0169 9.0169 10.3384 10.3384 10.6356 10.6356 11.8612 11.8612 13.0075 13.0075 k = 0.0000 0.4390-0.0000 ( 2396 PWs) bands (ev): -59.8778 -59.8778 -32.9918 -32.9918 -24.9346 -24.9346 -24.5005 -24.5005 -18.8049 -18.8049 -18.6010 -18.6010 -17.4290 -17.4290 -2.3945 -2.3945 -0.1090 -0.1090 0.1362 0.1362 0.1530 0.1530 0.2861 0.2861 0.4256 0.4256 0.7647 0.7647 0.8750 0.8750 0.9713 0.9713 9.0186 9.0186 10.3642 10.3642 10.6609 10.6609 11.9646 11.9646 13.0095 13.0095 k = 0.0000 0.4512-0.0000 ( 2396 PWs) bands (ev): -59.8777 -59.8777 -32.9922 -32.9922 -24.9396 -24.9396 -24.5004 -24.5004 -18.8046 -18.8046 -18.6009 -18.6009 -17.4115 -17.4115 -2.4268 -2.4268 -0.1026 -0.1026 0.1228 0.1228 0.1505 0.1505 0.2818 0.2818 0.4214 0.4214 0.7630 0.7630 0.8751 0.8751 0.9714 0.9714 9.0200 9.0200 10.3856 10.3856 10.6818 10.6818 12.0690 12.0690 12.9358 12.9358 k = 0.0000 0.4634-0.0000 ( 2400 PWs) bands (ev): -59.8777 -59.8777 -32.9926 -32.9926 -24.9435 -24.9435 -24.5003 -24.5003 -18.8043 -18.8043 -18.6008 -18.6008 -17.3978 -17.3978 -2.4521 -2.4521 -0.0969 -0.0969 0.1117 0.1117 0.1485 0.1485 0.2784 0.2784 0.4182 0.4182 0.7616 0.7616 0.8752 0.8752 0.9715 0.9715 9.0212 9.0212 10.4024 10.4024 10.6982 10.6982 12.1741 12.1741 12.8287 12.8287 k = 0.0000 0.4756-0.0000 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9929 -32.9929 -24.9463 -24.9463 -24.5002 -24.5002 -18.8042 -18.8042 -18.6008 -18.6008 -17.3879 -17.3879 -2.4702 -2.4702 -0.0924 -0.0924 0.1033 0.1033 0.1471 0.1471 0.2761 0.2761 0.4159 0.4159 0.7607 0.7607 0.8752 0.8752 0.9715 0.9715 9.0220 9.0220 10.4145 10.4145 10.7100 10.7100 12.2792 12.2792 12.7219 12.7219 k = 0.0000 0.4878-0.0000 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9931 -32.9931 -24.9479 -24.9479 -24.5002 -24.5002 -18.8040 -18.8040 -18.6007 -18.6007 -17.3819 -17.3819 -2.4811 -2.4811 -0.0895 -0.0895 0.0980 0.0980 0.1462 0.1462 0.2747 0.2747 0.4146 0.4146 0.7601 0.7601 0.8753 0.8753 0.9715 0.9715 9.0224 9.0224 10.4218 10.4218 10.7171 10.7171 12.3820 12.3820 12.6181 12.6181 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9931 -32.9931 -24.9485 -24.9485 -24.5002 -24.5002 -18.8040 -18.8040 -18.6007 -18.6007 -17.3799 -17.3799 -2.4848 -2.4848 -0.0885 -0.0885 0.0962 0.0962 0.1459 0.1459 0.2742 0.2742 0.4141 0.4141 0.7599 0.7599 0.8753 0.8753 0.9716 0.9716 9.0226 9.0226 10.4242 10.4242 10.7195 10.7195 12.4529 12.4529 12.5469 12.5469 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9931 -32.9931 -24.9485 -24.9485 -24.5002 -24.5002 -18.8040 -18.8040 -18.6007 -18.6007 -17.3799 -17.3799 -2.4848 -2.4848 -0.0885 -0.0885 0.0962 0.0962 0.1459 0.1459 0.2742 0.2742 0.4141 0.4141 0.7599 0.7599 0.8753 0.8753 0.9716 0.9716 9.0226 9.0226 10.4242 10.4242 10.7195 10.7195 12.4529 12.4529 12.5469 12.5469 k = 0.0122 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9932 -32.9932 -24.9486 -24.9486 -24.5008 -24.5008 -18.8030 -18.8030 -18.5999 -18.5999 -17.3798 -17.3798 -2.4848 -2.4848 -0.0910 -0.0910 0.0914 0.0914 0.1407 0.1407 0.2826 0.2826 0.4127 0.4127 0.7620 0.7620 0.8741 0.8741 0.9697 0.9697 9.0249 9.0249 10.4251 10.4251 10.7204 10.7204 12.4557 12.4557 12.5482 12.5482 k = 0.0244 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9933 -32.9933 -24.9491 -24.9491 -24.5024 -24.5024 -18.8001 -18.8001 -18.5973 -18.5973 -17.3795 -17.3795 -2.4847 -2.4847 -0.0985 -0.0985 0.0754 0.0754 0.1322 0.1322 0.3025 0.3025 0.4083 0.4083 0.7681 0.7681 0.8705 0.8705 0.9644 0.9644 9.0318 9.0318 10.4278 10.4278 10.7233 10.7233 12.4638 12.4638 12.5523 12.5523 k = 0.0366 0.5000-0.0000 ( 2390 PWs) bands (ev): -59.8777 -59.8777 -32.9936 -32.9936 -24.9499 -24.9499 -24.5052 -24.5052 -18.7955 -18.7955 -18.5929 -18.5929 -17.3789 -17.3789 -2.4846 -2.4846 -0.1116 -0.1116 0.0487 0.0487 0.1273 0.1273 0.3266 0.3266 0.4011 0.4011 0.7784 0.7784 0.8646 0.8646 0.9559 0.9559 9.0432 9.0432 10.4322 10.4322 10.7281 10.7281 12.4771 12.4771 12.5592 12.5592 k = 0.0488 0.5000-0.0000 ( 2390 PWs) bands (ev): -59.8777 -59.8777 -32.9940 -32.9940 -24.9510 -24.9510 -24.5090 -24.5090 -18.7894 -18.7894 -18.5865 -18.5865 -17.3782 -17.3782 -2.4844 -2.4844 -0.1307 -0.1307 0.0166 0.0166 0.1251 0.1251 0.3506 0.3506 0.3914 0.3914 0.7928 0.7928 0.8564 0.8564 0.9446 0.9446 9.0592 9.0592 10.4382 10.4382 10.7350 10.7350 12.4949 12.4949 12.5688 12.5688 k = 0.0610 0.5000-0.0000 ( 2386 PWs) bands (ev): -59.8776 -59.8776 -32.9944 -32.9944 -24.9524 -24.9524 -24.5138 -24.5138 -18.7821 -18.7821 -18.5777 -18.5777 -17.3771 -17.3771 -2.4843 -2.4843 -0.1563 -0.1563 -0.0178 -0.0178 0.1242 0.1242 0.3712 0.3712 0.3809 0.3809 0.8111 0.8111 0.8462 0.8462 0.9311 0.9311 9.0795 9.0795 10.4456 10.4456 10.7441 10.7441 12.5167 12.5167 12.5813 12.5813 k = 0.0732 0.5000-0.0000 ( 2390 PWs) bands (ev): -59.8776 -59.8776 -32.9950 -32.9950 -24.9541 -24.9541 -24.5195 -24.5195 -18.7742 -18.7742 -18.5664 -18.5664 -17.3759 -17.3759 -2.4841 -2.4841 -0.1881 -0.1881 -0.0537 -0.0537 0.1239 0.1239 0.3633 0.3633 0.3944 0.3944 0.8317 0.8317 0.8354 0.8354 0.9160 0.9160 9.1040 9.1040 10.4541 10.4541 10.7554 10.7554 12.5415 12.5415 12.5968 12.5968 k = 0.0854 0.5000-0.0000 ( 2390 PWs) bands (ev): -59.8776 -59.8776 -32.9956 -32.9956 -24.9562 -24.9562 -24.5262 -24.5262 -18.7659 -18.7659 -18.5521 -18.5521 -17.3744 -17.3744 -2.4838 -2.4838 -0.2254 -0.2254 -0.0916 -0.0916 0.1240 0.1240 0.3475 0.3475 0.4114 0.4114 0.8203 0.8203 0.8585 0.8585 0.8996 0.8996 9.1327 9.1327 10.4636 10.4636 10.7692 10.7692 12.5686 12.5686 12.6155 12.6155 k = 0.0976 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8776 -59.8776 -32.9964 -32.9964 -24.9587 -24.9587 -24.5336 -24.5336 -18.7579 -18.7579 -18.5346 -18.5346 -17.3726 -17.3726 -2.4835 -2.4835 -0.2669 -0.2669 -0.1329 -0.1329 0.1242 0.1242 0.3306 0.3306 0.4261 0.4261 0.8057 0.8057 0.8823 0.8823 0.8865 0.8865 9.1654 9.1654 10.4737 10.4737 10.7857 10.7857 12.5972 12.5972 12.6373 12.6373 k = 0.1098 0.5000-0.0000 ( 2404 PWs) bands (ev): -59.8775 -59.8775 -32.9972 -32.9972 -24.9615 -24.9615 -24.5416 -24.5416 -18.7502 -18.7502 -18.5138 -18.5138 -17.3706 -17.3706 -2.4832 -2.4832 -0.3119 -0.3119 -0.1791 -0.1791 0.1246 0.1246 0.3134 0.3134 0.4385 0.4385 0.7905 0.7905 0.8643 0.8643 0.9167 0.9167 9.2017 9.2017 10.4841 10.4841 10.8048 10.8048 12.6269 12.6269 12.6625 12.6625 k = 0.1220 0.5000-0.0000 ( 2404 PWs) bands (ev): -59.8775 -59.8775 -32.9982 -32.9982 -24.9647 -24.9647 -24.5503 -24.5503 -18.7433 -18.7433 -18.4896 -18.4896 -17.3682 -17.3682 -2.4829 -2.4829 -0.3594 -0.3594 -0.2307 -0.2307 0.1252 0.1252 0.2969 0.2969 0.4488 0.4488 0.7752 0.7752 0.8458 0.8458 0.9486 0.9486 9.2417 9.2417 10.4948 10.4948 10.8266 10.8266 12.6574 12.6574 12.6908 12.6908 k = 0.1341 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8774 -59.8774 -32.9992 -32.9992 -24.9683 -24.9683 -24.5594 -24.5594 -18.7371 -18.7371 -18.4622 -18.4622 -17.3655 -17.3655 -2.4824 -2.4824 -0.4095 -0.4095 -0.2880 -0.2880 0.1258 0.1258 0.2814 0.2814 0.4574 0.4574 0.7602 0.7602 0.8267 0.8267 0.9815 0.9815 9.2850 9.2850 10.5054 10.5054 10.8514 10.8514 12.6890 12.6890 12.7217 12.7217 k = 0.1463 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8774 -59.8774 -33.0002 -33.0002 -24.9723 -24.9723 -24.5688 -24.5688 -18.7317 -18.7317 -18.4319 -18.4319 -17.3624 -17.3624 -2.4820 -2.4820 -0.4627 -0.4627 -0.3499 -0.3499 0.1265 0.1265 0.2672 0.2672 0.4646 0.4646 0.7456 0.7456 0.8072 0.8072 1.0151 1.0151 9.3313 9.3313 10.5158 10.5158 10.8788 10.8788 12.7221 12.7221 12.7548 12.7548 k = 0.1585 0.5000-0.0000 ( 2394 PWs) bands (ev): -59.8773 -59.8773 -33.0014 -33.0014 -24.9768 -24.9768 -24.5785 -24.5785 -18.7271 -18.7271 -18.3988 -18.3988 -17.3589 -17.3589 -2.4816 -2.4816 -0.5204 -0.5204 -0.4142 -0.4142 0.1272 0.1272 0.2547 0.2547 0.4706 0.4706 0.7315 0.7315 0.7872 0.7872 1.0490 1.0490 9.3804 9.3804 10.5260 10.5260 10.9089 10.9089 12.7570 12.7570 12.7895 12.7895 k = 0.1707 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8773 -59.8773 -33.0025 -33.0025 -24.9817 -24.9817 -24.5884 -24.5884 -18.7231 -18.7231 -18.3635 -18.3635 -17.3550 -17.3550 -2.4811 -2.4811 -0.5852 -0.5852 -0.4774 -0.4774 0.1280 0.1280 0.2436 0.2436 0.4756 0.4756 0.7181 0.7181 0.7669 0.7669 1.0827 1.0827 9.4320 9.4320 10.5359 10.5359 10.9414 10.9414 12.7939 12.7939 12.8260 12.8260 k = 0.1829 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8772 -59.8772 -33.0038 -33.0038 -24.9870 -24.9870 -24.5982 -24.5982 -18.7196 -18.7196 -18.3261 -18.3261 -17.3507 -17.3507 -2.4806 -2.4806 -0.6592 -0.6592 -0.5365 -0.5365 0.1289 0.1289 0.2339 0.2339 0.4797 0.4797 0.7052 0.7052 0.7464 0.7464 1.1161 1.1161 9.4858 9.4858 10.5454 10.5454 10.9761 10.9761 12.8326 12.8326 12.8643 12.8643 k = 0.1951 0.5000-0.0000 ( 2388 PWs) bands (ev): -59.8771 -59.8771 -33.0051 -33.0051 -24.9928 -24.9928 -24.6080 -24.6080 -18.7166 -18.7166 -18.2872 -18.2872 -17.3457 -17.3457 -2.4801 -2.4801 -0.7420 -0.7420 -0.5906 -0.5906 0.1298 0.1298 0.2255 0.2255 0.4832 0.4832 0.6929 0.6929 0.7258 0.7258 1.1490 1.1490 9.5415 9.5415 10.5546 10.5546 11.0128 11.0128 12.8724 12.8724 12.9051 12.9051 k = 0.2073 0.5000-0.0000 ( 2388 PWs) bands (ev): -59.8771 -59.8771 -33.0064 -33.0064 -24.9990 -24.9990 -24.6177 -24.6177 -18.7141 -18.7141 -18.2472 -18.2472 -17.3402 -17.3402 -2.4796 -2.4796 -0.8317 -0.8317 -0.6408 -0.6408 0.1307 0.1307 0.2181 0.2181 0.4860 0.4860 0.6810 0.6810 0.7054 0.7054 1.1810 1.1810 9.5988 9.5988 10.5635 10.5635 11.0511 11.0511 12.9127 12.9127 12.9492 12.9492 k = 0.2195 0.5000-0.0000 ( 2386 PWs) bands (ev): -59.8770 -59.8770 -33.0077 -33.0077 -25.0056 -25.0056 -24.6270 -24.6270 -18.7118 -18.7118 -18.2064 -18.2064 -17.3341 -17.3341 -2.4790 -2.4790 -0.9261 -0.9261 -0.6880 -0.6880 0.1316 0.1316 0.2116 0.2116 0.4882 0.4882 0.6693 0.6693 0.6855 0.6855 1.2122 1.2122 9.6572 9.6572 10.5721 10.5721 11.0907 11.0907 12.9526 12.9526 12.9974 12.9974 k = 0.2317 0.5000-0.0000 ( 2382 PWs) bands (ev): -59.8769 -59.8769 -33.0091 -33.0091 -25.0126 -25.0126 -24.6361 -24.6361 -18.7098 -18.7098 -18.1652 -18.1652 -17.3272 -17.3272 -2.4785 -2.4785 -1.0236 -1.0236 -0.7329 -0.7329 0.1325 0.1325 0.2058 0.2058 0.4897 0.4897 0.6564 0.6564 0.6675 0.6675 1.2423 1.2423 9.7166 9.7166 10.5805 10.5805 11.1313 11.1313 12.9921 12.9921 13.0498 13.0498 k = 0.2439 0.5000-0.0000 ( 2382 PWs) bands (ev): -59.8769 -59.8769 -33.0105 -33.0105 -25.0200 -25.0200 -24.6447 -24.6447 -18.7081 -18.7081 -18.1240 -18.1240 -17.3196 -17.3196 -2.4779 -2.4779 -1.1229 -1.1229 -0.7759 -0.7759 0.1335 0.1335 0.2007 0.2007 0.4906 0.4906 0.6404 0.6404 0.6537 0.6537 1.2713 1.2713 9.7764 9.7764 10.5888 10.5888 11.1724 11.1724 13.0312 13.0312 13.1064 13.1064 k = 0.2561 0.5000-0.0000 ( 2382 PWs) bands (ev): -59.8768 -59.8768 -33.0119 -33.0119 -25.0277 -25.0277 -24.6529 -24.6529 -18.7066 -18.7066 -18.0832 -18.0832 -17.3111 -17.3111 -2.4774 -2.4774 -1.2231 -1.2231 -0.8171 -0.8171 0.1344 0.1344 0.1961 0.1961 0.4907 0.4907 0.6225 0.6225 0.6430 0.6430 1.2991 1.2991 9.8364 9.8364 10.5970 10.5970 11.2139 11.2139 13.0700 13.0700 13.1670 13.1670 k = 0.2683 0.5000-0.0000 ( 2378 PWs) bands (ev): -59.8767 -59.8767 -33.0133 -33.0133 -25.0356 -25.0356 -24.6606 -24.6606 -18.7052 -18.7052 -18.0433 -18.0433 -17.3017 -17.3017 -2.4768 -2.4768 -1.3232 -1.3232 -0.8566 -0.8566 0.1354 0.1354 0.1918 0.1918 0.4898 0.4898 0.6051 0.6051 0.6334 0.6334 1.3257 1.3257 9.8962 9.8962 10.6051 10.6051 11.2554 11.2554 13.1085 13.1085 13.2315 13.2315 k = 0.2805 0.5000-0.0000 ( 2378 PWs) bands (ev): -59.8767 -59.8767 -33.0146 -33.0146 -25.0437 -25.0437 -24.6679 -24.6679 -18.7039 -18.7039 -18.0045 -18.0045 -17.2913 -17.2913 -2.4763 -2.4763 -1.4225 -1.4225 -0.8943 -0.8943 0.1363 0.1363 0.1880 0.1880 0.4877 0.4877 0.5889 0.5889 0.6246 0.6246 1.3509 1.3509 9.9553 9.9553 10.6132 10.6132 11.2965 11.2965 13.1465 13.1465 13.3000 13.3000 k = 0.2927 0.5000-0.0000 ( 2384 PWs) bands (ev): -59.8766 -59.8766 -33.0160 -33.0160 -25.0520 -25.0520 -24.6746 -24.6746 -18.7028 -18.7028 -17.9672 -17.9672 -17.2799 -17.2799 -2.4758 -2.4758 -1.5202 -1.5202 -0.9302 -0.9302 0.1372 0.1372 0.1844 0.1844 0.4841 0.4841 0.5746 0.5746 0.6163 0.6163 1.3748 1.3748 10.0132 10.0132 10.6213 10.6213 11.3369 11.3369 13.1842 13.1842 13.3723 13.3723 k = 0.3049 0.5000-0.0000 ( 2384 PWs) bands (ev): -59.8766 -59.8766 -33.0173 -33.0173 -25.0603 -25.0603 -24.6808 -24.6808 -18.7018 -18.7018 -17.9317 -17.9317 -17.2675 -17.2675 -2.4753 -2.4753 -1.6158 -1.6158 -0.9644 -0.9644 0.1380 0.1380 0.1811 0.1811 0.4785 0.4785 0.5626 0.5626 0.6085 0.6085 1.3974 1.3974 10.0698 10.0698 10.6296 10.6296 11.3764 11.3764 13.2212 13.2212 13.4485 13.4485 k = 0.3171 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8765 -59.8765 -33.0186 -33.0186 -25.0686 -25.0686 -24.6866 -24.6866 -18.7010 -18.7010 -17.8984 -17.8984 -17.2540 -17.2540 -2.4748 -2.4748 -1.7085 -1.7085 -0.9968 -0.9968 0.1388 0.1388 0.1779 0.1779 0.4709 0.4709 0.5532 0.5532 0.6012 0.6012 1.4186 1.4186 10.1244 10.1244 10.6381 10.6381 11.4147 11.4147 13.2573 13.2573 13.5285 13.5285 k = 0.3293 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8765 -59.8765 -33.0198 -33.0198 -25.0768 -25.0768 -24.6918 -24.6918 -18.7001 -18.7001 -17.8674 -17.8674 -17.2397 -17.2397 -2.4743 -2.4743 -1.7978 -1.7978 -1.0274 -1.0274 0.1395 0.1395 0.1750 0.1750 0.4615 0.4615 0.5463 0.5463 0.5945 0.5945 1.4384 1.4384 10.1768 10.1768 10.6468 10.6468 11.4514 11.4514 13.2926 13.2926 13.6123 13.6123 k = 0.3415 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8764 -59.8764 -33.0210 -33.0210 -25.0848 -25.0848 -24.6965 -24.6965 -18.6994 -18.6994 -17.8389 -17.8389 -17.2245 -17.2245 -2.4738 -2.4738 -1.8834 -1.8834 -1.0560 -1.0560 0.1402 0.1402 0.1722 0.1722 0.4509 0.4509 0.5413 0.5413 0.5883 0.5883 1.4568 1.4568 10.2264 10.2264 10.6560 10.6560 11.4865 11.4865 13.3267 13.3267 13.6998 13.6998 k = 0.3537 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8764 -59.8764 -33.0222 -33.0222 -25.0926 -25.0926 -24.7007 -24.7007 -18.6987 -18.6987 -17.8129 -17.8129 -17.2087 -17.2087 -2.4734 -2.4734 -1.9645 -1.9645 -1.0827 -1.0827 0.1407 0.1407 0.1696 0.1696 0.4397 0.4397 0.5377 0.5377 0.5827 0.5827 1.4738 1.4738 10.2727 10.2727 10.6656 10.6656 11.5197 11.5197 13.3594 13.3594 13.7910 13.7910 k = 0.3659 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8763 -59.8763 -33.0233 -33.0233 -25.1000 -25.1000 -24.7045 -24.7045 -18.6981 -18.6981 -17.7896 -17.7896 -17.1925 -17.1925 -2.4730 -2.4730 -2.0409 -2.0409 -1.1074 -1.1074 0.1412 0.1412 0.1672 0.1672 0.4285 0.4285 0.5350 0.5350 0.5776 0.5776 1.4894 1.4894 10.3154 10.3154 10.6758 10.6758 11.5509 11.5509 13.3905 13.3905 13.8857 13.8857 k = 0.3780 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8763 -59.8763 -33.0243 -33.0243 -25.1070 -25.1070 -24.7079 -24.7079 -18.6976 -18.6976 -17.7689 -17.7689 -17.1762 -17.1762 -2.4726 -2.4726 -2.1120 -2.1120 -1.1301 -1.1301 0.1416 0.1416 0.1649 0.1649 0.4176 0.4176 0.5328 0.5328 0.5732 0.5732 1.5036 1.5036 10.3542 10.3542 10.6865 10.6865 11.5798 11.5798 13.4198 13.4198 13.9837 13.9837 k = 0.3902 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8762 -59.8762 -33.0252 -33.0252 -25.1136 -25.1136 -24.7109 -24.7109 -18.6971 -18.6971 -17.7508 -17.7508 -17.1601 -17.1601 -2.4723 -2.4723 -2.1776 -2.1776 -1.1507 -1.1507 0.1418 0.1418 0.1629 0.1629 0.4074 0.4074 0.5310 0.5310 0.5694 0.5694 1.5164 1.5164 10.3887 10.3887 10.6979 10.6979 11.6062 11.6062 13.4472 13.4472 14.0851 14.0851 k = 0.4024 0.5000-0.0000 ( 2408 PWs) bands (ev): -59.8762 -59.8762 -33.0260 -33.0260 -25.1196 -25.1196 -24.7136 -24.7136 -18.6967 -18.6967 -17.7350 -17.7350 -17.1445 -17.1445 -2.4720 -2.4720 -2.2372 -2.2372 -1.1693 -1.1693 0.1418 0.1418 0.1611 0.1611 0.3979 0.3979 0.5294 0.5294 0.5661 0.5661 1.5278 1.5278 10.4186 10.4186 10.7097 10.7097 11.6302 11.6302 13.4723 13.4723 14.1894 14.1894 k = 0.4146 0.5000-0.0000 ( 2408 PWs) bands (ev): -59.8762 -59.8762 -33.0268 -33.0268 -25.1251 -25.1251 -24.7158 -24.7158 -18.6964 -18.6964 -17.7216 -17.7216 -17.1298 -17.1298 -2.4717 -2.4717 -2.2905 -2.2905 -1.1857 -1.1857 0.1417 0.1417 0.1596 0.1596 0.3895 0.3895 0.5279 0.5279 0.5635 0.5635 1.5379 1.5379 10.4441 10.4441 10.7218 10.7218 11.6516 11.6516 13.4950 13.4950 14.2967 14.2967 k = 0.4268 0.5000-0.0000 ( 2404 PWs) bands (ev): -59.8761 -59.8761 -33.0275 -33.0275 -25.1299 -25.1299 -24.7178 -24.7178 -18.6960 -18.6960 -17.7103 -17.7103 -17.1163 -17.1163 -2.4715 -2.4715 -2.3372 -2.3372 -1.2000 -1.2000 0.1415 0.1415 0.1584 0.1584 0.3820 0.3820 0.5264 0.5264 0.5613 0.5613 1.5466 1.5466 10.4653 10.4653 10.7338 10.7338 11.6703 11.6703 13.5151 13.5151 14.4066 14.4066 k = 0.4390 0.5000-0.0000 ( 2404 PWs) bands (ev): -59.8761 -59.8761 -33.0280 -33.0280 -25.1341 -25.1341 -24.7194 -24.7194 -18.6958 -18.6958 -17.7009 -17.7009 -17.1044 -17.1044 -2.4715 -2.4715 -2.3771 -2.3771 -1.2122 -1.2122 0.1411 0.1411 0.1575 0.1575 0.3757 0.3757 0.5252 0.5252 0.5596 0.5596 1.5540 1.5540 10.4824 10.4824 10.7451 10.7451 11.6863 11.6863 13.5325 13.5325 14.5187 14.5187 k = 0.4512 0.5000-0.0000 ( 2396 PWs) bands (ev): -59.8761 -59.8761 -33.0285 -33.0285 -25.1375 -25.1375 -24.7206 -24.7206 -18.6955 -18.6955 -17.6935 -17.6935 -17.0942 -17.0942 -2.4715 -2.4715 -2.4099 -2.4099 -1.2221 -1.2221 0.1407 0.1407 0.1568 0.1568 0.3705 0.3705 0.5240 0.5240 0.5584 0.5584 1.5600 1.5600 10.4957 10.4957 10.7553 10.7553 11.6994 11.6994 13.5469 13.5469 14.6328 14.6328 k = 0.4634 0.5000-0.0000 ( 2402 PWs) bands (ev): -59.8761 -59.8761 -33.0289 -33.0289 -25.1403 -25.1403 -24.7216 -24.7216 -18.6954 -18.6954 -17.6879 -17.6879 -17.0860 -17.0860 -2.4720 -2.4720 -2.4352 -2.4352 -1.2299 -1.2299 0.1403 0.1403 0.1562 0.1562 0.3665 0.3665 0.5231 0.5231 0.5575 0.5575 1.5646 1.5646 10.5055 10.5055 10.7638 10.7638 11.7097 11.7097 13.5582 13.5582 14.7479 14.7479 k = 0.4756 0.5000-0.0000 ( 2406 PWs) bands (ev): -59.8761 -59.8761 -33.0291 -33.0291 -25.1422 -25.1422 -24.7224 -24.7224 -18.6953 -18.6953 -17.6839 -17.6839 -17.0800 -17.0800 -2.4733 -2.4733 -2.4524 -2.4524 -1.2354 -1.2354 0.1399 0.1399 0.1559 0.1559 0.3636 0.3636 0.5224 0.5224 0.5568 0.5568 1.5680 1.5680 10.5123 10.5123 10.7701 10.7701 11.7170 11.7170 13.5664 13.5664 14.8625 14.8625 k = 0.4878 0.5000-0.0000 ( 2408 PWs) bands (ev): -59.8761 -59.8761 -33.0293 -33.0293 -25.1434 -25.1434 -24.7228 -24.7228 -18.6952 -18.6952 -17.6815 -17.6815 -17.0764 -17.0764 -2.4758 -2.4758 -2.4611 -2.4611 -1.2388 -1.2388 0.1397 0.1397 0.1557 0.1557 0.3618 0.3618 0.5220 0.5220 0.5565 0.5565 1.5700 1.5700 10.5163 10.5163 10.7741 10.7741 11.7214 11.7214 13.5714 13.5714 14.9711 14.9711 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -59.8761 -59.8761 -33.0293 -33.0293 -25.1438 -25.1438 -24.7229 -24.7229 -18.6952 -18.6952 -17.6807 -17.6807 -17.0752 -17.0752 -2.4773 -2.4773 -2.4632 -2.4632 -1.2399 -1.2399 0.1396 0.1396 0.1557 0.1557 0.3612 0.3612 0.5218 0.5218 0.5564 0.5564 1.5706 1.5706 10.5176 10.5176 10.7755 10.7755 11.7229 11.7229 13.5730 13.5730 15.0372 15.0372 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -59.8761 -59.8761 -33.0293 -33.0293 -25.1438 -25.1438 -24.7229 -24.7229 -18.6952 -18.6952 -17.6807 -17.6807 -17.0752 -17.0752 -2.4773 -2.4773 -2.4632 -2.4632 -1.2399 -1.2399 0.1396 0.1396 0.1557 0.1557 0.3612 0.3612 0.5218 0.5218 0.5564 0.5564 1.5706 1.5706 10.5176 10.5176 10.7755 10.7755 11.7229 11.7229 13.5730 13.5730 15.0372 15.0372 k = 0.4912 0.4912-0.0000 ( 2408 PWs) bands (ev): -59.8761 -59.8761 -33.0293 -33.0293 -25.1434 -25.1434 -24.7228 -24.7228 -18.6952 -18.6952 -17.6816 -17.6816 -17.0764 -17.0764 -2.4755 -2.4755 -2.4612 -2.4612 -1.2387 -1.2387 0.1397 0.1397 0.1557 0.1557 0.3618 0.3618 0.5220 0.5220 0.5565 0.5565 1.5699 1.5699 10.5163 10.5163 10.7741 10.7741 11.7214 11.7214 13.5713 13.5713 14.9689 14.9689 k = 0.4825 0.4825-0.0000 ( 2406 PWs) bands (ev): -59.8761 -59.8761 -33.0291 -33.0291 -25.1422 -25.1422 -24.7223 -24.7223 -18.6953 -18.6953 -17.6840 -17.6840 -17.0802 -17.0802 -2.4699 -2.4699 -2.4553 -2.4553 -1.2353 -1.2353 0.1398 0.1398 0.1561 0.1561 0.3636 0.3636 0.5224 0.5224 0.5569 0.5569 1.5679 1.5679 10.5122 10.5122 10.7699 10.7699 11.7168 11.7168 13.5660 13.5660 14.8561 14.8561 k = 0.4737 0.4737-0.0000 ( 2398 PWs) bands (ev): -59.8761 -59.8761 -33.0288 -33.0288 -25.1401 -25.1401 -24.7216 -24.7216 -18.6954 -18.6954 -17.6880 -17.6880 -17.0865 -17.0865 -2.4606 -2.4606 -2.4453 -2.4453 -1.2295 -1.2295 0.1396 0.1396 0.1571 0.1571 0.3666 0.3666 0.5232 0.5232 0.5575 0.5575 1.5645 1.5645 10.5055 10.5055 10.7629 10.7629 11.7091 11.7091 13.5569 13.5569 14.7364 14.7364 k = 0.4649 0.4649-0.0000 ( 2404 PWs) bands (ev): -59.8761 -59.8761 -33.0285 -33.0285 -25.1373 -25.1373 -24.7206 -24.7206 -18.6956 -18.6956 -17.6936 -17.6936 -17.0953 -17.0953 -2.4480 -2.4480 -2.4312 -2.4312 -1.2215 -1.2215 0.1387 0.1387 0.1592 0.1592 0.3706 0.3706 0.5242 0.5242 0.5583 0.5583 1.5597 1.5597 10.4961 10.4961 10.7531 10.7531 11.6984 11.6984 13.5432 13.5432 14.6161 14.6161 k = 0.4561 0.4561-0.0000 ( 2402 PWs) bands (ev): -59.8761 -59.8761 -33.0280 -33.0280 -25.1336 -25.1336 -24.7193 -24.7193 -18.6958 -18.6958 -17.7008 -17.7008 -17.1066 -17.1066 -2.4321 -2.4321 -2.4128 -2.4128 -1.2112 -1.2112 0.1369 0.1369 0.1626 0.1626 0.3756 0.3756 0.5256 0.5256 0.5594 0.5594 1.5536 1.5536 10.4841 10.4841 10.7407 10.7407 11.6845 11.6845 13.5243 13.5243 14.4984 14.4984 k = 0.4474 0.4474-0.0000 ( 2402 PWs) bands (ev): -59.8761 -59.8761 -33.0274 -33.0274 -25.1292 -25.1292 -24.7178 -24.7178 -18.6961 -18.6961 -17.7095 -17.7095 -17.1203 -17.1203 -2.4130 -2.4130 -2.3902 -2.3902 -1.1986 -1.1986 0.1344 0.1344 0.1673 0.1673 0.3815 0.3815 0.5273 0.5273 0.5607 0.5607 1.5462 1.5462 10.4694 10.4694 10.7255 10.7255 11.6675 11.6675 13.4987 13.4987 14.3855 14.3855 k = 0.4386 0.4386-0.0000 ( 2400 PWs) bands (ev): -59.8762 -59.8762 -33.0267 -33.0267 -25.1239 -25.1239 -24.7159 -24.7159 -18.6964 -18.6964 -17.7198 -17.7198 -17.1363 -17.1363 -2.3908 -2.3908 -2.3634 -2.3634 -1.1838 -1.1838 0.1313 0.1313 0.1731 0.1731 0.3883 0.3883 0.5293 0.5293 0.5622 0.5622 1.5376 1.5376 10.4522 10.4522 10.7077 10.7077 11.6474 11.6474 13.4648 13.4648 14.2799 14.2799 k = 0.4298 0.4298-0.0000 ( 2408 PWs) bands (ev): -59.8762 -59.8762 -33.0259 -33.0259 -25.1179 -25.1179 -24.7138 -24.7138 -18.6968 -18.6968 -17.7315 -17.7315 -17.1547 -17.1547 -2.3655 -2.3655 -2.3324 -2.3324 -1.1667 -1.1667 0.1277 0.1277 0.1801 0.1801 0.3957 0.3957 0.5316 0.5316 0.5640 0.5640 1.5277 1.5277 10.4325 10.4325 10.6873 10.6873 11.6240 11.6240 13.4208 13.4208 14.1838 14.1838 k = 0.4211 0.4211-0.0000 ( 2400 PWs) bands (ev): -59.8763 -59.8763 -33.0250 -33.0250 -25.1111 -25.1111 -24.7114 -24.7114 -18.6972 -18.6972 -17.7447 -17.7447 -17.1753 -17.1753 -2.3372 -2.3372 -2.2975 -2.2975 -1.1475 -1.1475 0.1239 0.1239 0.1881 0.1881 0.4039 0.4039 0.5343 0.5343 0.5660 0.5660 1.5166 1.5166 10.4105 10.4105 10.6645 10.6645 11.5974 11.5974 13.3652 13.3652 14.0992 14.0992 k = 0.4123 0.4123-0.0000 ( 2412 PWs) bands (ev): -59.8763 -59.8763 -33.0240 -33.0240 -25.1035 -25.1035 -24.7088 -24.7088 -18.6977 -18.6977 -17.7593 -17.7593 -17.1981 -17.1981 -2.3060 -2.3060 -2.2587 -2.2587 -1.1260 -1.1260 0.1199 0.1199 0.1970 0.1970 0.4126 0.4126 0.5372 0.5372 0.5683 0.5683 1.5044 1.5044 10.3860 10.3860 10.6392 10.6392 11.5675 11.5675 13.2968 13.2968 14.0274 14.0274 k = 0.4035 0.4035-0.0000 ( 2408 PWs) bands (ev): -59.8764 -59.8764 -33.0229 -33.0229 -25.0953 -25.0953 -24.7059 -24.7059 -18.6982 -18.6982 -17.7752 -17.7752 -17.2229 -17.2229 -2.2719 -2.2719 -2.2162 -2.2162 -1.1024 -1.1024 0.1158 0.1158 0.2069 0.2069 0.4217 0.4217 0.5406 0.5406 0.5707 0.5707 1.4911 1.4911 10.3594 10.3594 10.6117 10.6117 11.5343 11.5343 13.2164 13.2164 13.9683 13.9683 k = 0.3947 0.3947-0.0000 ( 2404 PWs) bands (ev): -59.8764 -59.8764 -33.0217 -33.0217 -25.0862 -25.0862 -24.7027 -24.7027 -18.6988 -18.6988 -17.7924 -17.7924 -17.2498 -17.2498 -2.2350 -2.2350 -2.1700 -2.1700 -1.0767 -1.0767 0.1116 0.1116 0.2177 0.2177 0.4313 0.4313 0.5443 0.5443 0.5735 0.5735 1.4769 1.4769 10.3306 10.3306 10.5820 10.5820 11.4979 11.4979 13.1254 13.1254 13.9204 13.9204 k = 0.3860 0.3860-0.0000 ( 2392 PWs) bands (ev): -59.8764 -59.8764 -33.0204 -33.0204 -25.0765 -25.0765 -24.6993 -24.6993 -18.6995 -18.6995 -17.8108 -17.8108 -17.2785 -17.2785 -2.1954 -2.1954 -2.1203 -2.1203 -1.0488 -1.0488 0.1075 0.1075 0.2294 0.2294 0.4412 0.4412 0.5484 0.5484 0.5764 0.5764 1.4616 1.4616 10.2998 10.2998 10.5502 10.5502 11.4582 11.4582 13.0260 13.0260 13.8816 13.8816 k = 0.3772 0.3772-0.0000 ( 2388 PWs) bands (ev): -59.8765 -59.8765 -33.0190 -33.0190 -25.0660 -25.0660 -24.6957 -24.6957 -18.7002 -18.7002 -17.8304 -17.8304 -17.3091 -17.3091 -2.1533 -2.1533 -2.0673 -2.0673 -1.0190 -1.0190 0.1035 0.1035 0.2419 0.2419 0.4514 0.4514 0.5529 0.5529 0.5796 0.5796 1.4455 1.4455 10.2671 10.2671 10.5164 10.5164 11.4152 11.4152 12.9205 12.9205 13.8498 13.8498 k = 0.3684 0.3684-0.0000 ( 2388 PWs) bands (ev): -59.8766 -59.8766 -33.0176 -33.0176 -25.0550 -25.0550 -24.6918 -24.6918 -18.7009 -18.7009 -17.8511 -17.8511 -17.3414 -17.3414 -2.1087 -2.1087 -2.0111 -2.0111 -0.9871 -0.9871 0.0995 0.0995 0.2552 0.2552 0.4617 0.4617 0.5579 0.5579 0.5830 0.5830 1.4286 1.4286 10.2325 10.2325 10.4806 10.4806 11.3689 11.3689 12.8109 12.8109 13.8231 13.8231 k = 0.3596 0.3596-0.0000 ( 2392 PWs) bands (ev): -59.8766 -59.8766 -33.0161 -33.0161 -25.0432 -25.0432 -24.6877 -24.6877 -18.7018 -18.7018 -17.8729 -17.8729 -17.3753 -17.3753 -2.0618 -2.0618 -1.9519 -1.9519 -0.9532 -0.9532 0.0958 0.0958 0.2693 0.2693 0.4721 0.4721 0.5633 0.5633 0.5867 0.5867 1.4109 1.4109 10.1962 10.1962 10.4431 10.4431 11.3196 11.3196 12.6988 12.6988 13.8000 13.8000 k = 0.3509 0.3509-0.0000 ( 2388 PWs) bands (ev): -59.8767 -59.8767 -33.0145 -33.0145 -25.0309 -25.0309 -24.6834 -24.6834 -18.7027 -18.7027 -17.8956 -17.8956 -17.4106 -17.4106 -2.0128 -2.0128 -1.8898 -1.8898 -0.9174 -0.9174 0.0922 0.0922 0.2841 0.2841 0.4825 0.4825 0.5692 0.5692 0.5906 0.5906 1.3926 1.3926 10.1583 10.1583 10.4039 10.4039 11.2671 11.2671 12.5854 12.5854 13.7793 13.7793 k = 0.3421 0.3421-0.0000 ( 2390 PWs) bands (ev): -59.8768 -59.8768 -33.0128 -33.0128 -25.0179 -25.0179 -24.6789 -24.6789 -18.7037 -18.7037 -17.9192 -17.9192 -17.4473 -17.4473 -1.9618 -1.9618 -1.8250 -1.8250 -0.8797 -0.8797 0.0888 0.0888 0.2997 0.2997 0.4929 0.4929 0.5756 0.5756 0.5947 0.5947 1.3737 1.3737 10.1190 10.1190 10.3632 10.3632 11.2117 11.2117 12.4714 12.4714 13.7601 13.7601 k = 0.3333 0.3333-0.0000 ( 2390 PWs) bands (ev): -59.8769 -59.8769 -33.0111 -33.0111 -25.0044 -25.0044 -24.6742 -24.6742 -18.7048 -18.7048 -17.9436 -17.9436 -17.4852 -17.4852 -1.9089 -1.9089 -1.7577 -1.7577 -0.8401 -0.8401 0.0857 0.0857 0.3158 0.3158 0.5031 0.5031 0.5826 0.5826 0.5992 0.5992 1.3543 1.3543 10.0783 10.0783 10.3210 10.3210 11.1535 11.1535 12.3577 12.3577 13.7418 13.7418 k = 0.3246 0.3246-0.0000 ( 2394 PWs) bands (ev): -59.8769 -59.8769 -33.0093 -33.0093 -24.9903 -24.9903 -24.6693 -24.6693 -18.7060 -18.7060 -17.9687 -17.9687 -17.5243 -17.5243 -1.8545 -1.8545 -1.6882 -1.6882 -0.7988 -0.7988 0.0829 0.0829 0.3327 0.3327 0.5131 0.5131 0.5902 0.5902 0.6040 0.6040 1.3344 1.3344 10.0365 10.0365 10.2775 10.2775 11.0926 11.0926 12.2446 12.2446 13.7239 13.7239 k = 0.3158 0.3158-0.0000 ( 2392 PWs) bands (ev): -59.8770 -59.8770 -33.0075 -33.0075 -24.9757 -24.9757 -24.6643 -24.6643 -18.7072 -18.7072 -17.9945 -17.9945 -17.5643 -17.5643 -1.7985 -1.7985 -1.6165 -1.6165 -0.7557 -0.7557 0.0804 0.0804 0.3501 0.3501 0.5228 0.5228 0.5982 0.5982 0.6092 0.6092 1.3143 1.3143 9.9936 9.9936 10.2328 10.2328 11.0292 11.0292 12.1325 12.1325 13.7059 13.7059 k = 0.3070 0.3070-0.0000 ( 2388 PWs) bands (ev): -59.8771 -59.8771 -33.0056 -33.0056 -24.9607 -24.9607 -24.6591 -24.6591 -18.7086 -18.7086 -18.0209 -18.0209 -17.6052 -17.6052 -1.7413 -1.7413 -1.5429 -1.5429 -0.7109 -0.7109 0.0782 0.0782 0.3680 0.3680 0.5321 0.5321 0.6066 0.6066 0.6151 0.6151 1.2938 1.2938 9.9498 9.9498 10.1870 10.1870 10.9635 10.9635 12.0217 12.0217 13.6876 13.6876 k = 0.2982 0.2982-0.0000 ( 2390 PWs) bands (ev): -59.8772 -59.8772 -33.0037 -33.0037 -24.9452 -24.9452 -24.6538 -24.6538 -18.7101 -18.7101 -18.0477 -18.0477 -17.6468 -17.6468 -1.6831 -1.6831 -1.4677 -1.4677 -0.6645 -0.6645 0.0764 0.0764 0.3865 0.3865 0.5410 0.5410 0.6146 0.6146 0.6222 0.6222 1.2733 1.2733 9.9053 9.9053 10.1403 10.1403 10.8958 10.8958 11.9123 11.9123 13.6686 13.6686 k = 0.2895 0.2895-0.0000 ( 2388 PWs) bands (ev): -59.8773 -59.8773 -33.0018 -33.0018 -24.9293 -24.9293 -24.6483 -24.6483 -18.7117 -18.7117 -18.0750 -18.0750 -17.6890 -17.6890 -1.6241 -1.6241 -1.3910 -1.3910 -0.6165 -0.6165 0.0749 0.0749 0.4054 0.4054 0.5496 0.5496 0.6218 0.6218 0.6311 0.6311 1.2526 1.2526 9.8600 9.8600 10.0927 10.0927 10.8263 10.8263 11.8045 11.8045 13.6488 13.6488 k = 0.2807 0.2807-0.0000 ( 2388 PWs) bands (ev): -59.8774 -59.8774 -32.9998 -32.9998 -24.9130 -24.9130 -24.6427 -24.6427 -18.7134 -18.7134 -18.1025 -18.1025 -17.7316 -17.7316 -1.5645 -1.5645 -1.3131 -1.3131 -0.5670 -0.5670 0.0739 0.0739 0.4247 0.4247 0.5578 0.5578 0.6285 0.6285 0.6413 0.6413 1.2320 1.2320 9.8143 9.8143 10.0443 10.0443 10.7553 10.7553 11.6983 11.6983 13.6281 13.6281 k = 0.2719 0.2719-0.0000 ( 2380 PWs) bands (ev): -59.8774 -59.8774 -32.9978 -32.9978 -24.8964 -24.8964 -24.6370 -24.6370 -18.7153 -18.7153 -18.1303 -18.1303 -17.7746 -17.7746 -1.5045 -1.5045 -1.2343 -1.2343 -0.5160 -0.5160 0.0734 0.0734 0.4444 0.4444 0.5658 0.5658 0.6352 0.6352 0.6525 0.6525 1.2115 1.2115 9.7683 9.7683 9.9954 9.9954 10.6830 10.6830 11.5940 11.5940 13.6063 13.6063 k = 0.2632 0.2632-0.0000 ( 2386 PWs) bands (ev): -59.8775 -59.8775 -32.9958 -32.9958 -24.8796 -24.8796 -24.6313 -24.6313 -18.7174 -18.7174 -18.1581 -18.1581 -17.8177 -17.8177 -1.4446 -1.4446 -1.1548 -1.1548 -0.4636 -0.4636 0.0733 0.0733 0.4643 0.4643 0.5734 0.5734 0.6420 0.6420 0.6643 0.6643 1.1912 1.1912 9.7219 9.7219 9.9459 9.9459 10.6099 10.6099 11.4914 11.4914 13.5832 13.5832 k = 0.2544 0.2544-0.0000 ( 2382 PWs) bands (ev): -59.8776 -59.8776 -32.9938 -32.9938 -24.8625 -24.8625 -24.6254 -24.6254 -18.7196 -18.7196 -18.1860 -18.1860 -17.8608 -17.8608 -1.3847 -1.3847 -1.0750 -1.0750 -0.4098 -0.4098 0.0738 0.0738 0.4845 0.4845 0.5808 0.5808 0.6491 0.6491 0.6765 0.6765 1.1711 1.1711 9.6755 9.6755 9.8961 9.8961 10.5362 10.5362 11.3906 11.3906 13.5590 13.5590 k = 0.2456 0.2456-0.0000 ( 2382 PWs) bands (ev): -59.8777 -59.8777 -32.9917 -32.9917 -24.8452 -24.8452 -24.6196 -24.6196 -18.7221 -18.7221 -18.2138 -18.2138 -17.9038 -17.9038 -1.3254 -1.3254 -0.9950 -0.9950 -0.3549 -0.3549 0.0747 0.0747 0.5048 0.5048 0.5881 0.5881 0.6565 0.6565 0.6890 0.6890 1.1514 1.1514 9.6292 9.6292 9.8459 9.8459 10.4621 10.4621 11.2918 11.2918 13.5336 13.5336 k = 0.2368 0.2368-0.0000 ( 2374 PWs) bands (ev): -59.8778 -59.8778 -32.9897 -32.9897 -24.8278 -24.8278 -24.6137 -24.6137 -18.7248 -18.7248 -18.2415 -18.2415 -17.9465 -17.9465 -1.2667 -1.2667 -0.9153 -0.9153 -0.2987 -0.2987 0.0763 0.0763 0.5253 0.5253 0.5954 0.5954 0.6642 0.6642 0.7018 0.7018 1.1322 1.1322 9.5830 9.5830 9.7955 9.7955 10.3882 10.3882 11.1948 11.1948 13.5071 13.5071 k = 0.2281 0.2281-0.0000 ( 2382 PWs) bands (ev): -59.8779 -59.8779 -32.9877 -32.9877 -24.8103 -24.8103 -24.6078 -24.6078 -18.7279 -18.7279 -18.2688 -18.2688 -17.9889 -17.9889 -1.2090 -1.2090 -0.8361 -0.8361 -0.2415 -0.2415 0.0784 0.0784 0.5458 0.5458 0.6026 0.6026 0.6723 0.6723 0.7148 0.7148 1.1135 1.1135 9.5371 9.5371 9.7451 9.7451 10.3145 10.3145 11.0998 11.0998 13.4794 13.4794 k = 0.2193 0.2193-0.0000 ( 2386 PWs) bands (ev): -59.8780 -59.8780 -32.9857 -32.9857 -24.7927 -24.7927 -24.6018 -24.6018 -18.7312 -18.7312 -18.2958 -18.2958 -18.0307 -18.0307 -1.1527 -1.1527 -0.7578 -0.7578 -0.1833 -0.1833 0.0812 0.0812 0.5663 0.5663 0.6099 0.6099 0.6808 0.6808 0.7279 0.7279 1.0953 1.0953 9.4917 9.4917 9.6946 9.6946 10.2415 10.2415 11.0068 11.0068 13.4506 13.4506 k = 0.2105 0.2105-0.0000 ( 2388 PWs) bands (ev): -59.8781 -59.8781 -32.9837 -32.9837 -24.7752 -24.7752 -24.5960 -24.5960 -18.7349 -18.7349 -18.3222 -18.3222 -18.0719 -18.0719 -1.0978 -1.0978 -0.6808 -0.6808 -0.1241 -0.1241 0.0846 0.0846 0.5867 0.5867 0.6174 0.6174 0.6896 0.6896 0.7411 0.7411 1.0778 1.0778 9.4468 9.4468 9.6443 9.6443 10.1695 10.1695 10.9158 10.9158 13.4209 13.4209 k = 0.2018 0.2018-0.0000 ( 2386 PWs) bands (ev): -59.8782 -59.8782 -32.9818 -32.9818 -24.7577 -24.7577 -24.5901 -24.5901 -18.7391 -18.7391 -18.3480 -18.3480 -18.1122 -18.1122 -1.0447 -1.0447 -0.6053 -0.6053 -0.0643 -0.0643 0.0887 0.0887 0.6067 0.6067 0.6253 0.6253 0.6988 0.6988 0.7542 0.7542 1.0610 1.0610 9.4027 9.4027 9.5941 9.5941 10.0988 10.0988 10.8270 10.8270 13.3904 13.3904 k = 0.1930 0.1930-0.0000 ( 2390 PWs) bands (ev): -59.8783 -59.8783 -32.9798 -32.9798 -24.7404 -24.7404 -24.5843 -24.5843 -18.7437 -18.7437 -18.3731 -18.3731 -18.1516 -18.1516 -0.9937 -0.9937 -0.5317 -0.5317 -0.0039 -0.0039 0.0935 0.0935 0.6254 0.6254 0.6347 0.6347 0.7083 0.7083 0.7674 0.7674 1.0451 1.0451 9.3594 9.3594 9.5442 9.5442 10.0296 10.0296 10.7404 10.7404 13.3593 13.3593 k = 0.1842 0.1842-0.0000 ( 2396 PWs) bands (ev): -59.8784 -59.8784 -32.9779 -32.9779 -24.7233 -24.7233 -24.5786 -24.5786 -18.7489 -18.7489 -18.3972 -18.3972 -18.1899 -18.1899 -0.9449 -0.9449 -0.4604 -0.4604 0.0568 0.0568 0.0991 0.0991 0.6387 0.6387 0.6495 0.6495 0.7182 0.7182 0.7805 0.7805 1.0299 1.0299 9.3169 9.3169 9.4946 9.4946 9.9623 9.9623 10.6561 10.6561 13.3277 13.3277 k = 0.1754 0.1754-0.0000 ( 2394 PWs) bands (ev): -59.8784 -59.8784 -32.9761 -32.9761 -24.7064 -24.7064 -24.5730 -24.5730 -18.7547 -18.7547 -18.4203 -18.4203 -18.2270 -18.2270 -0.8985 -0.8985 -0.3918 -0.3918 0.1038 0.1038 0.1192 0.1192 0.6486 0.6486 0.6681 0.6681 0.7285 0.7285 0.7935 0.7935 1.0156 1.0156 9.2756 9.2756 9.4456 9.4456 9.8971 9.8971 10.5742 10.5742 13.2958 13.2958 k = 0.1667 0.1667-0.0000 ( 2404 PWs) bands (ev): -59.8785 -59.8785 -32.9743 -32.9743 -24.6898 -24.6898 -24.5675 -24.5675 -18.7612 -18.7612 -18.4423 -18.4423 -18.2627 -18.2627 -0.8548 -0.8548 -0.3263 -0.3263 0.1112 0.1112 0.1794 0.1794 0.6584 0.6584 0.6869 0.6869 0.7390 0.7390 0.8065 0.8065 1.0021 1.0021 9.2354 9.2354 9.3970 9.3970 9.8342 9.8342 10.4950 10.4950 13.2638 13.2638 k = 0.1579 0.1579-0.0000 ( 2400 PWs) bands (ev): -59.8786 -59.8786 -32.9726 -32.9726 -24.6736 -24.6736 -24.5622 -24.5622 -18.7683 -18.7683 -18.4629 -18.4629 -18.2971 -18.2971 -0.8138 -0.8138 -0.2640 -0.2640 0.1184 0.1184 0.2400 0.2400 0.6689 0.6689 0.7054 0.7054 0.7500 0.7500 0.8193 0.8193 0.9896 0.9896 9.1965 9.1965 9.3492 9.3492 9.7739 9.7739 10.4184 10.4184 13.2319 13.2319 k = 0.1491 0.1491-0.0000 ( 2410 PWs) bands (ev): -59.8787 -59.8787 -32.9709 -32.9709 -24.6578 -24.6578 -24.5570 -24.5570 -18.7763 -18.7763 -18.4822 -18.4822 -18.3299 -18.3299 -0.7756 -0.7756 -0.2053 -0.2053 0.1260 0.1260 0.3000 0.3000 0.6802 0.6802 0.7233 0.7233 0.7612 0.7612 0.8319 0.8319 0.9781 0.9781 9.1590 9.1590 9.3022 9.3022 9.7163 9.7163 10.3448 10.3448 13.2002 13.2002 k = 0.1404 0.1404-0.0000 ( 2410 PWs) bands (ev): -59.8788 -59.8788 -32.9693 -32.9693 -24.6425 -24.6425 -24.5520 -24.5520 -18.7850 -18.7850 -18.4999 -18.4999 -18.3611 -18.3611 -0.7404 -0.7404 -0.1505 -0.1505 0.1339 0.1339 0.3589 0.3589 0.6924 0.6924 0.7406 0.7406 0.7728 0.7728 0.8444 0.8444 0.9674 0.9674 9.1230 9.1230 9.2561 9.2561 9.6617 9.6617 10.2741 10.2741 13.1690 13.1690 k = 0.1316 0.1316-0.0000 ( 2411 PWs) bands (ev): -59.8789 -59.8789 -32.9678 -32.9678 -24.6278 -24.6278 -24.5471 -24.5471 -18.7944 -18.7944 -18.5160 -18.5160 -18.3906 -18.3906 -0.7080 -0.7080 -0.0998 -0.0998 0.1421 0.1421 0.4163 0.4163 0.7057 0.7057 0.7571 0.7571 0.7847 0.7847 0.8567 0.8567 0.9577 0.9577 9.0886 9.0886 9.2111 9.2111 9.6102 9.6102 10.2067 10.2067 13.1385 13.1385 k = 0.1228 0.1228-0.0000 ( 2415 PWs) bands (ev): -59.8789 -59.8789 -32.9663 -32.9663 -24.6137 -24.6137 -24.5425 -24.5425 -18.8045 -18.8045 -18.5305 -18.5305 -18.4184 -18.4184 -0.6785 -0.6785 -0.0533 -0.0533 0.1503 0.1503 0.4717 0.4717 0.7201 0.7201 0.7728 0.7728 0.7969 0.7969 0.8688 0.8688 0.9489 0.9489 9.0559 9.0559 9.1674 9.1674 9.5618 9.5618 10.1426 10.1426 13.1089 13.1089 k = 0.1140 0.1140-0.0000 ( 2415 PWs) bands (ev): -59.8790 -59.8790 -32.9649 -32.9649 -24.6002 -24.6002 -24.5381 -24.5381 -18.8151 -18.8151 -18.5434 -18.5434 -18.4443 -18.4443 -0.6518 -0.6518 -0.0110 -0.0110 0.1585 0.1585 0.5246 0.5246 0.7355 0.7355 0.7876 0.7876 0.8095 0.8095 0.8807 0.8807 0.9410 0.9410 9.0250 9.0250 9.1252 9.1252 9.5167 9.5167 10.0821 10.0821 13.0804 13.0804 k = 0.1053 0.1053-0.0000 ( 2415 PWs) bands (ev): -59.8790 -59.8790 -32.9636 -32.9636 -24.5875 -24.5875 -24.5340 -24.5340 -18.8262 -18.8262 -18.5548 -18.5548 -18.4684 -18.4684 -0.6279 -0.6279 0.0270 0.0270 0.1665 0.1665 0.5743 0.5743 0.7519 0.7519 0.8016 0.8016 0.8224 0.8224 0.8923 0.8923 0.9340 0.9340 8.9960 8.9960 9.0847 9.0847 9.4750 9.4750 10.0253 10.0253 13.0532 13.0532 k = 0.0965 0.0965-0.0000 ( 2415 PWs) bands (ev): -59.8791 -59.8791 -32.9624 -32.9624 -24.5755 -24.5755 -24.5301 -24.5301 -18.8374 -18.8374 -18.5647 -18.5647 -18.4905 -18.4905 -0.6065 -0.6065 0.0608 0.0608 0.1741 0.1741 0.6202 0.6202 0.7692 0.7692 0.8147 0.8147 0.8356 0.8356 0.9035 0.9035 0.9279 0.9279 8.9690 8.9690 9.0463 9.0463 9.4366 9.4366 9.9723 9.9723 13.0274 13.0274 k = 0.0877 0.0877-0.0000 ( 2415 PWs) bands (ev): -59.8791 -59.8791 -32.9613 -32.9613 -24.5644 -24.5644 -24.5265 -24.5265 -18.8486 -18.8486 -18.5733 -18.5733 -18.5108 -18.5108 -0.5877 -0.5877 0.0907 0.0907 0.1813 0.1813 0.6612 0.6612 0.7871 0.7871 0.8272 0.8272 0.8492 0.8492 0.9142 0.9142 0.9229 0.9229 8.9441 8.9441 9.0100 9.0100 9.4016 9.4016 9.9234 9.9234 13.0032 13.0032 k = 0.0789 0.0789-0.0000 ( 2415 PWs) bands (ev): -59.8792 -59.8792 -32.9603 -32.9603 -24.5542 -24.5542 -24.5232 -24.5232 -18.8595 -18.8595 -18.5806 -18.5806 -18.5292 -18.5292 -0.5712 -0.5712 0.1167 0.1167 0.1880 0.1880 0.6969 0.6969 0.8052 0.8052 0.8389 0.8389 0.8636 0.8636 0.9175 0.9175 0.9258 0.9258 8.9212 8.9212 8.9763 8.9763 9.3700 9.3700 9.8787 9.8787 12.9808 12.9808 k = 0.0702 0.0702-0.0000 ( 2411 PWs) bands (ev): -59.8792 -59.8792 -32.9593 -32.9593 -24.5449 -24.5449 -24.5203 -24.5203 -18.8699 -18.8699 -18.5868 -18.5868 -18.5456 -18.5456 -0.5568 -0.5568 0.1392 0.1392 0.1940 0.1940 0.7266 0.7266 0.8227 0.8227 0.8498 0.8498 0.8790 0.8790 0.9143 0.9143 0.9356 0.9356 8.9006 8.9006 8.9453 8.9453 9.3418 9.3418 9.8382 9.8382 12.9604 12.9604 k = 0.0614 0.0614-0.0000 ( 2409 PWs) bands (ev): -59.8793 -59.8793 -32.9585 -32.9585 -24.5366 -24.5366 -24.5176 -24.5176 -18.8797 -18.8797 -18.5920 -18.5920 -18.5601 -18.5601 -0.5446 -0.5446 0.1584 0.1584 0.1994 0.1994 0.7504 0.7504 0.8386 0.8386 0.8597 0.8597 0.8956 0.8956 0.9121 0.9121 0.9451 0.9451 8.8823 8.8823 8.9173 8.9173 9.3169 9.3169 9.8023 9.8023 12.9420 12.9420 k = 0.0526 0.0526-0.0000 ( 2405 PWs) bands (ev): -59.8793 -59.8793 -32.9578 -32.9578 -24.5293 -24.5293 -24.5153 -24.5153 -18.8885 -18.8885 -18.5963 -18.5963 -18.5726 -18.5726 -0.5342 -0.5342 0.1745 0.1745 0.2040 0.2040 0.7690 0.7690 0.8519 0.8519 0.8681 0.8681 0.9077 0.9077 0.9164 0.9164 0.9539 0.9539 8.8663 8.8663 8.8925 8.8925 9.2954 9.2954 9.7709 9.7709 12.9258 12.9258 k = 0.0439 0.0439-0.0000 ( 2411 PWs) bands (ev): -59.8793 -59.8793 -32.9572 -32.9572 -24.5231 -24.5231 -24.5133 -24.5133 -18.8963 -18.8963 -18.5998 -18.5998 -18.5832 -18.5832 -0.5257 -0.5257 0.1877 0.1877 0.2079 0.2079 0.7832 0.7832 0.8626 0.8626 0.8748 0.8748 0.9086 0.9086 0.9331 0.9331 0.9619 0.9619 8.8526 8.8526 8.8712 8.8712 9.2772 9.2772 9.7441 9.7441 12.9120 12.9120 k = 0.0351 0.0351-0.0000 ( 2413 PWs) bands (ev): -59.8793 -59.8793 -32.9567 -32.9567 -24.5179 -24.5179 -24.5116 -24.5116 -18.9029 -18.9029 -18.6026 -18.6026 -18.5919 -18.5919 -0.5188 -0.5188 0.1983 0.1983 0.2110 0.2110 0.7939 0.7939 0.8709 0.8709 0.8795 0.8795 0.9095 0.9095 0.9493 0.9493 0.9687 0.9687 8.8414 8.8414 8.8534 8.8534 9.2623 9.2623 9.7221 9.7221 12.9005 12.9005 k = 0.0263 0.0263-0.0000 ( 2405 PWs) bands (ev): -59.8794 -59.8794 -32.9563 -32.9563 -24.5139 -24.5139 -24.5103 -24.5103 -18.9081 -18.9081 -18.6047 -18.6047 -18.5986 -18.5986 -0.5136 -0.5136 0.2064 0.2064 0.2135 0.2135 0.8017 0.8017 0.8772 0.8772 0.8824 0.8824 0.9111 0.9111 0.9631 0.9631 0.9743 0.9743 8.8326 8.8326 8.8394 8.8394 9.2508 9.2508 9.7049 9.7049 12.8915 12.8915 k = 0.0175 0.0175-0.0000 ( 2405 PWs) bands (ev): -59.8794 -59.8794 -32.9560 -32.9560 -24.5110 -24.5110 -24.5094 -24.5094 -18.9119 -18.9119 -18.6061 -18.6061 -18.6034 -18.6034 -0.5099 -0.5099 0.2120 0.2120 0.2152 0.2152 0.8071 0.8071 0.8815 0.8815 0.8840 0.8840 0.9129 0.9129 0.9734 0.9734 0.9785 0.9785 8.8263 8.8263 8.8294 8.8294 9.2425 9.2425 9.6926 9.6926 12.8850 12.8850 k = 0.0088 0.0088-0.0000 ( 2381 PWs) bands (ev): -59.8793 -59.8793 -32.9558 -32.9558 -24.5092 -24.5092 -24.5088 -24.5088 -18.9142 -18.9142 -18.6070 -18.6070 -18.6063 -18.6063 -0.5077 -0.5077 0.2155 0.2155 0.2162 0.2162 0.8101 0.8101 0.8840 0.8840 0.8847 0.8847 0.9143 0.9143 0.9798 0.9798 0.9811 0.9811 8.8226 8.8226 8.8233 8.8233 9.2376 9.2376 9.6852 9.6852 12.8815 12.8820 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -59.8793 -59.8793 -32.9558 -32.9558 -24.5086 -24.5086 -24.5086 -24.5086 -18.9150 -18.9150 -18.6072 -18.6072 -18.6072 -18.6072 -0.5069 -0.5069 0.2166 0.2166 0.2166 0.2166 0.8112 0.8112 0.8849 0.8849 0.8849 0.8849 0.9148 0.9148 0.9819 0.9819 0.9819 0.9819 8.8213 8.8213 8.8213 8.8213 9.2360 9.2360 9.6827 9.6827 12.8799 12.8799 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -59.8793 -59.8793 -32.9558 -32.9558 -24.5086 -24.5086 -24.5086 -24.5086 -18.9150 -18.9150 -18.6072 -18.6072 -18.6072 -18.6072 -0.5069 -0.5069 0.2166 0.2166 0.2166 0.2166 0.8112 0.8112 0.8849 0.8849 0.8849 0.8849 0.9148 0.9148 0.9819 0.9819 0.9819 0.9819 8.8213 8.8213 8.8213 8.8213 9.2360 9.2360 9.6827 9.6827 12.8799 12.8799 k = 0.0071 0.0071 0.0071 ( 2379 PWs) bands (ev): -59.8793 -59.8793 -32.9558 -32.9558 -24.5090 -24.5090 -24.5090 -24.5090 -18.9142 -18.9142 -18.6068 -18.6068 -18.6065 -18.6065 -0.5077 -0.5077 0.2157 0.2157 0.2160 0.2160 0.8102 0.8102 0.8840 0.8840 0.8847 0.8847 0.9143 0.9143 0.9803 0.9803 0.9806 0.9806 8.8229 8.8229 8.8230 8.8230 9.2376 9.2376 9.6852 9.6852 12.8822 12.8823 k = 0.0143 0.0143 0.0143 ( 2403 PWs) bands (ev): -59.8794 -59.8794 -32.9560 -32.9560 -24.5102 -24.5102 -24.5102 -24.5102 -18.9119 -18.9119 -18.6055 -18.6055 -18.6042 -18.6042 -0.5099 -0.5099 0.2129 0.2129 0.2143 0.2143 0.8071 0.8071 0.8813 0.8813 0.8841 0.8841 0.9130 0.9130 0.9753 0.9753 0.9766 0.9766 8.8275 8.8275 8.8281 8.8281 9.2425 9.2425 9.6925 9.6925 12.8891 12.8896 k = 0.0214 0.0214 0.0214 ( 2415 PWs) bands (ev): -59.8794 -59.8794 -32.9563 -32.9563 -24.5122 -24.5122 -24.5121 -24.5121 -18.9081 -18.9081 -18.6032 -18.6032 -18.6003 -18.6003 -0.5135 -0.5135 0.2084 0.2084 0.2115 0.2115 0.8019 0.8019 0.8768 0.8768 0.8825 0.8825 0.9114 0.9114 0.9672 0.9672 0.9702 0.9702 8.8354 8.8354 8.8366 8.8366 9.2506 9.2506 9.7048 9.7048 12.9011 12.9013 k = 0.0286 0.0286 0.0286 ( 2415 PWs) bands (ev): -59.8794 -59.8794 -32.9567 -32.9567 -24.5149 -24.5149 -24.5147 -24.5147 -18.9028 -18.9028 -18.6000 -18.6000 -18.5948 -18.5948 -0.5186 -0.5186 0.2020 0.2020 0.2075 0.2075 0.7945 0.7945 0.8702 0.8702 0.8793 0.8793 0.9103 0.9103 0.9561 0.9561 0.9615 0.9615 8.8463 8.8463 8.8484 8.8484 9.2620 9.2620 9.7219 9.7219 12.9167 12.9186 k = 0.0357 0.0357 0.0357 ( 2412 PWs) bands (ev): -59.8793 -59.8793 -32.9572 -32.9572 -24.5183 -24.5183 -24.5180 -24.5180 -18.8959 -18.8959 -18.5958 -18.5958 -18.5878 -18.5878 -0.5252 -0.5252 0.1937 0.1937 0.2021 0.2021 0.7847 0.7847 0.8614 0.8614 0.8735 0.8735 0.9105 0.9105 0.9426 0.9426 0.9512 0.9512 8.8603 8.8603 8.8636 8.8636 9.2766 9.2766 9.7439 9.7439 12.9374 12.9374 k = 0.0429 0.0429 0.0429 ( 2412 PWs) bands (ev): -59.8793 -59.8793 -32.9578 -32.9578 -24.5225 -24.5225 -24.5221 -24.5221 -18.8877 -18.8877 -18.5907 -18.5907 -18.5793 -18.5793 -0.5333 -0.5333 0.1835 0.1835 0.1952 0.1952 0.7723 0.7723 0.8500 0.8500 0.8648 0.8648 0.9121 0.9121 0.9274 0.9274 0.9397 0.9397 8.8772 8.8772 8.8820 8.8820 9.2943 9.2943 9.7707 9.7707 12.9625 12.9626 k = 0.0500 0.0500 0.0500 ( 2412 PWs) bands (ev): -59.8793 -59.8793 -32.9585 -32.9585 -24.5274 -24.5274 -24.5268 -24.5268 -18.8780 -18.8780 -18.5847 -18.5847 -18.5692 -18.5692 -0.5429 -0.5429 0.1713 0.1713 0.1867 0.1867 0.7571 0.7571 0.8355 0.8355 0.8524 0.8524 0.9116 0.9116 0.9150 0.9150 0.9279 0.9279 8.8971 8.8971 8.9036 8.9036 9.3151 9.3151 9.8022 9.8022 12.9920 12.9920 k = 0.0571 0.0571 0.0571 ( 2412 PWs) bands (ev): -59.8792 -59.8792 -32.9593 -32.9593 -24.5330 -24.5330 -24.5323 -24.5323 -18.8670 -18.8670 -18.5776 -18.5776 -18.5577 -18.5577 -0.5541 -0.5541 0.1572 0.1572 0.1764 0.1764 0.7390 0.7390 0.8175 0.8175 0.8356 0.8356 0.8970 0.8970 0.9163 0.9163 0.9189 0.9189 8.9199 8.9199 8.9284 8.9284 9.3388 9.3388 9.8383 9.8383 13.0258 13.0258 k = 0.0643 0.0643 0.0643 ( 2412 PWs) bands (ev): -59.8792 -59.8792 -32.9603 -32.9603 -24.5393 -24.5393 -24.5384 -24.5384 -18.8547 -18.8547 -18.5696 -18.5696 -18.5447 -18.5447 -0.5669 -0.5669 0.1410 0.1410 0.1641 0.1641 0.7179 0.7179 0.7958 0.7958 0.8135 0.8135 0.8847 0.8847 0.9057 0.9057 0.9237 0.9237 8.9454 8.9454 8.9562 8.9562 9.3656 9.3656 9.8790 9.8790 13.0639 13.0639 k = 0.0714 0.0714 0.0714 ( 2397 PWs) bands (ev): -59.8791 -59.8791 -32.9613 -32.9613 -24.5462 -24.5462 -24.5452 -24.5452 -18.8411 -18.8411 -18.5605 -18.5605 -18.5303 -18.5303 -0.5813 -0.5813 0.1227 0.1227 0.1495 0.1495 0.6938 0.6938 0.7705 0.7705 0.7867 0.7867 0.8750 0.8750 0.8964 0.8964 0.9292 0.9292 8.9737 8.9737 8.9871 8.9871 9.3952 9.3952 9.9242 9.9242 13.1060 13.1060 k = 0.0786 0.0786 0.0786 ( 2403 PWs) bands (ev): -59.8791 -59.8791 -32.9624 -32.9624 -24.5538 -24.5538 -24.5526 -24.5526 -18.8265 -18.8265 -18.5504 -18.5504 -18.5145 -18.5145 -0.5974 -0.5974 0.1022 0.1022 0.1325 0.1325 0.6667 0.6667 0.7418 0.7418 0.7559 0.7559 0.8674 0.8674 0.8884 0.8884 0.9354 0.9354 9.0046 9.0046 9.0207 9.0207 9.4275 9.4275 9.9738 9.9738 13.1521 13.1521 k = 0.0857 0.0857 0.0857 ( 2403 PWs) bands (ev): -59.8790 -59.8790 -32.9637 -32.9637 -24.5621 -24.5621 -24.5606 -24.5606 -18.8108 -18.8108 -18.5391 -18.5391 -18.4974 -18.4974 -0.6151 -0.6151 0.0795 0.0795 0.1129 0.1129 0.6367 0.6367 0.7100 0.7100 0.7220 0.7220 0.8615 0.8615 0.8819 0.8819 0.9423 0.9423 9.0380 9.0380 9.0571 9.0571 9.4626 9.4626 10.0276 10.0276 13.2021 13.2021 k = 0.0929 0.0929 0.0929 ( 2403 PWs) bands (ev): -59.8790 -59.8790 -32.9650 -32.9650 -24.5709 -24.5709 -24.5692 -24.5692 -18.7942 -18.7942 -18.5267 -18.5267 -18.4789 -18.4789 -0.6345 -0.6345 0.0547 0.0547 0.0904 0.0904 0.6038 0.6038 0.6756 0.6756 0.6857 0.6857 0.8571 0.8571 0.8769 0.8769 0.9499 0.9499 9.0739 9.0739 9.0961 9.0961 9.5003 9.5003 10.0855 10.0855 13.2558 13.2558 k = 0.1000 0.1000 0.1000 ( 2409 PWs) bands (ev): -59.8789 -59.8789 -32.9664 -32.9664 -24.5803 -24.5803 -24.5784 -24.5784 -18.7767 -18.7767 -18.5132 -18.5132 -18.4592 -18.4592 -0.6556 -0.6556 0.0275 0.0275 0.0650 0.0650 0.5679 0.5679 0.6388 0.6388 0.6475 0.6475 0.8541 0.8541 0.8734 0.8734 0.9580 0.9580 9.1122 9.1122 9.1377 9.1377 9.5404 9.5404 10.1473 10.1473 13.3131 13.3131 k = 0.1071 0.1071 0.1071 ( 2406 PWs) bands (ev): -59.8788 -59.8788 -32.9679 -32.9679 -24.5902 -24.5902 -24.5881 -24.5881 -18.7585 -18.7585 -18.4984 -18.4984 -18.4381 -18.4381 -0.6783 -0.6783 -0.0018 -0.0018 0.0366 0.0366 0.5293 0.5293 0.6000 0.6000 0.6078 0.6078 0.8525 0.8525 0.8715 0.8715 0.9667 0.9667 9.1527 9.1527 9.1817 9.1817 9.5830 9.5830 10.2130 10.2130 13.3738 13.3738 k = 0.1143 0.1143 0.1143 ( 2406 PWs) bands (ev): -59.8788 -59.8788 -32.9695 -32.9695 -24.6006 -24.6006 -24.5983 -24.5983 -18.7397 -18.7397 -18.4822 -18.4822 -18.4160 -18.4160 -0.7028 -0.7028 -0.0334 -0.0334 0.0050 0.0050 0.4880 0.4880 0.5595 0.5595 0.5671 0.5671 0.8521 0.8521 0.8711 0.8711 0.9759 0.9759 9.1954 9.1954 9.2281 9.2281 9.6279 9.6279 10.2823 10.2823 13.4378 13.4378 k = 0.1214 0.1214 0.1214 ( 2400 PWs) bands (ev): -59.8787 -59.8787 -32.9712 -32.9712 -24.6115 -24.6115 -24.6090 -24.6090 -18.7204 -18.7204 -18.4648 -18.4648 -18.3926 -18.3926 -0.7289 -0.7289 -0.0673 -0.0673 -0.0298 -0.0298 0.4441 0.4441 0.5174 0.5174 0.5255 0.5255 0.8531 0.8531 0.8724 0.8724 0.9857 0.9857 9.2402 9.2402 9.2766 9.2766 9.6750 9.6750 10.3552 10.3552 13.5049 13.5049 k = 0.1286 0.1286 0.1286 ( 2394 PWs) bands (ev): -59.8786 -59.8786 -32.9729 -32.9729 -24.6228 -24.6228 -24.6202 -24.6202 -18.7008 -18.7008 -18.4459 -18.4459 -18.3682 -18.3682 -0.7566 -0.7566 -0.1034 -0.1034 -0.0676 -0.0676 0.3981 0.3981 0.4742 0.4742 0.4833 0.4833 0.8554 0.8554 0.8752 0.8752 0.9960 0.9960 9.2870 9.2870 9.3272 9.3272 9.7242 9.7242 10.4314 10.4314 13.5750 13.5750 k = 0.1357 0.1357 0.1357 ( 2400 PWs) bands (ev): -59.8785 -59.8785 -32.9748 -32.9748 -24.6346 -24.6346 -24.6317 -24.6317 -18.6809 -18.6809 -18.4256 -18.4256 -18.3427 -18.3427 -0.7860 -0.7860 -0.1417 -0.1417 -0.1086 -0.1086 0.3500 0.3500 0.4298 0.4298 0.4404 0.4404 0.8590 0.8590 0.8796 0.8796 1.0067 1.0067 9.3357 9.3357 9.3797 9.3797 9.7754 9.7754 10.5107 10.5107 13.6478 13.6478 k = 0.1429 0.1429 0.1429 ( 2391 PWs) bands (ev): -59.8784 -59.8784 -32.9767 -32.9767 -24.6467 -24.6467 -24.6436 -24.6436 -18.6609 -18.6609 -18.4039 -18.4039 -18.3162 -18.3162 -0.8170 -0.8170 -0.1821 -0.1821 -0.1525 -0.1525 0.3005 0.3005 0.3846 0.3846 0.3969 0.3969 0.8639 0.8639 0.8855 0.8855 1.0180 1.0180 9.3862 9.3862 9.4341 9.4341 9.8284 9.8284 10.5931 10.5931 13.7232 13.7232 k = 0.1500 0.1500 0.1500 ( 2385 PWs) bands (ev): -59.8783 -59.8783 -32.9786 -32.9786 -24.6592 -24.6592 -24.6559 -24.6559 -18.6408 -18.6408 -18.3806 -18.3806 -18.2888 -18.2888 -0.8494 -0.8494 -0.2248 -0.2248 -0.1992 -0.1992 0.2497 0.2497 0.3388 0.3388 0.3530 0.3530 0.8702 0.8702 0.8929 0.8929 1.0296 1.0296 9.4385 9.4385 9.4901 9.4901 9.8833 9.8833 10.6784 10.6784 13.8010 13.8010 k = 0.1571 0.1571 0.1571 ( 2391 PWs) bands (ev): -59.8782 -59.8782 -32.9807 -32.9807 -24.6720 -24.6720 -24.6685 -24.6685 -18.6208 -18.6208 -18.3559 -18.3559 -18.2605 -18.2605 -0.8834 -0.8834 -0.2695 -0.2695 -0.2487 -0.2487 0.1980 0.1980 0.2924 0.2924 0.3086 0.3086 0.8776 0.8776 0.9016 0.9016 1.0417 1.0417 9.4923 9.4923 9.5476 9.5476 9.9398 9.9398 10.7663 10.7663 13.8811 13.8811 k = 0.1643 0.1643 0.1643 ( 2394 PWs) bands (ev): -59.8781 -59.8781 -32.9828 -32.9828 -24.6850 -24.6850 -24.6814 -24.6814 -18.6008 -18.6008 -18.3298 -18.3298 -18.2314 -18.2314 -0.9189 -0.9189 -0.3164 -0.3164 -0.3006 -0.3006 0.1458 0.1458 0.2456 0.2456 0.2637 0.2637 0.8863 0.8863 0.9116 0.9116 1.0542 1.0542 9.5476 9.5476 9.6066 9.6066 9.9977 9.9977 10.8568 10.8568 13.9632 13.9632 k = 0.1714 0.1714 0.1714 ( 2388 PWs) bands (ev): -59.8780 -59.8780 -32.9849 -32.9849 -24.6983 -24.6983 -24.6946 -24.6946 -18.5810 -18.5810 -18.3023 -18.3023 -18.2015 -18.2015 -0.9556 -0.9556 -0.3652 -0.3652 -0.3549 -0.3549 0.0934 0.0934 0.1985 0.1985 0.2185 0.2185 0.8962 0.8962 0.9228 0.9228 1.0670 1.0670 9.6044 9.6044 9.6669 9.6669 10.0572 10.0572 10.9497 10.9497 14.0471 14.0471 k = 0.1786 0.1786 0.1786 ( 2382 PWs) bands (ev): -59.8779 -59.8779 -32.9871 -32.9871 -24.7118 -24.7118 -24.7079 -24.7079 -18.5614 -18.5614 -18.2734 -18.2734 -18.1709 -18.1709 -0.9936 -0.9936 -0.4160 -0.4160 -0.4112 -0.4112 0.0410 0.0410 0.1513 0.1513 0.1730 0.1730 0.9072 0.9072 0.9352 0.9352 1.0803 1.0803 9.6625 9.6625 9.7283 9.7283 10.1179 10.1179 11.0449 11.0449 14.1328 14.1328 k = 0.1857 0.1857 0.1857 ( 2379 PWs) bands (ev): -59.8778 -59.8778 -32.9894 -32.9894 -24.7255 -24.7255 -24.7215 -24.7215 -18.5420 -18.5420 -18.2433 -18.2433 -18.1396 -18.1396 -1.0329 -1.0329 -0.4694 -0.4694 -0.4686 -0.4686 -0.0111 -0.0111 0.1040 0.1040 0.1273 0.1273 0.9192 0.9192 0.9486 0.9486 1.0938 1.0938 9.7218 9.7218 9.7909 9.7909 10.1798 10.1798 11.1422 11.1422 14.2199 14.2199 k = 0.1929 0.1929 0.1929 ( 2385 PWs) bands (ev): -59.8777 -59.8777 -32.9916 -32.9916 -24.7393 -24.7393 -24.7352 -24.7352 -18.5227 -18.5227 -18.2120 -18.2120 -18.1078 -18.1078 -1.0732 -1.0732 -0.5293 -0.5293 -0.5231 -0.5231 -0.0627 -0.0627 0.0567 0.0567 0.0814 0.0814 0.9323 0.9323 0.9629 0.9629 1.1076 1.1076 9.7822 9.7822 9.8543 9.8543 10.2426 10.2426 11.2415 11.2415 14.3082 14.3082 k = 0.2000 0.2000 0.2000 ( 2394 PWs) bands (ev): -59.8776 -59.8776 -32.9940 -32.9940 -24.7533 -24.7533 -24.7491 -24.7491 -18.5036 -18.5036 -18.1796 -18.1796 -18.0755 -18.0755 -1.1146 -1.1146 -0.5907 -0.5907 -0.5792 -0.5792 -0.1136 -0.1136 0.0095 0.0095 0.0355 0.0355 0.9463 0.9463 0.9781 0.9781 1.1217 1.1217 9.8436 9.8436 9.9185 9.9185 10.3064 10.3064 11.3426 11.3426 14.3977 14.3977 k = 0.2071 0.2071 0.2071 ( 2388 PWs) bands (ev): -59.8775 -59.8775 -32.9963 -32.9963 -24.7673 -24.7673 -24.7630 -24.7630 -18.4848 -18.4848 -18.1463 -18.1463 -18.0427 -18.0427 -1.1569 -1.1569 -0.6533 -0.6533 -0.6368 -0.6368 -0.1637 -0.1637 -0.0375 -0.0375 -0.0105 -0.0105 0.9612 0.9612 0.9942 0.9942 1.1361 1.1361 9.9059 9.9059 9.9834 9.9834 10.3710 10.3710 11.4456 11.4456 14.4881 14.4881 k = 0.2143 0.2143 0.2143 ( 2389 PWs) bands (ev): -59.8774 -59.8774 -32.9987 -32.9987 -24.7814 -24.7814 -24.7771 -24.7771 -18.4660 -18.4660 -18.1121 -18.1121 -18.0095 -18.0095 -1.2001 -1.2001 -0.7169 -0.7169 -0.6959 -0.6959 -0.2128 -0.2128 -0.0843 -0.0843 -0.0563 -0.0563 0.9769 0.9769 1.0109 1.0109 1.1507 1.1507 9.9690 9.9690 10.0488 10.0488 10.4362 10.4362 11.5501 11.5501 14.5792 14.5792 k = 0.2214 0.2214 0.2214 ( 2401 PWs) bands (ev): -59.8773 -59.8773 -33.0011 -33.0011 -24.7955 -24.7955 -24.7911 -24.7911 -18.4475 -18.4475 -18.0772 -18.0772 -17.9759 -17.9759 -1.2439 -1.2439 -0.7813 -0.7813 -0.7562 -0.7562 -0.2608 -0.2608 -0.1309 -0.1309 -0.1020 -0.1020 0.9934 0.9934 1.0283 1.0283 1.1655 1.1655 10.0327 10.0327 10.1146 10.1146 10.5019 10.5019 11.6562 11.6562 14.6708 14.6708 k = 0.2286 0.2286 0.2286 ( 2395 PWs) bands (ev): -59.8772 -59.8772 -33.0035 -33.0035 -24.8096 -24.8096 -24.8052 -24.8052 -18.4291 -18.4291 -18.0417 -18.0417 -17.9421 -17.9421 -1.2884 -1.2884 -0.8464 -0.8464 -0.8175 -0.8175 -0.3077 -0.3077 -0.1770 -0.1770 -0.1474 -0.1474 1.0105 1.0105 1.0463 1.0463 1.1804 1.1804 10.0970 10.0970 10.1808 10.1808 10.5681 10.5681 11.7637 11.7637 14.7627 14.7627 k = 0.2357 0.2357 0.2357 ( 2395 PWs) bands (ev): -59.8771 -59.8771 -33.0060 -33.0060 -24.8236 -24.8236 -24.8192 -24.8192 -18.4109 -18.4109 -18.0056 -18.0056 -17.9081 -17.9081 -1.3334 -1.3334 -0.9118 -0.9118 -0.8797 -0.8797 -0.3534 -0.3534 -0.2228 -0.2228 -0.1925 -0.1925 1.0283 1.0283 1.0647 1.0647 1.1955 1.1955 10.1617 10.1617 10.2471 10.2471 10.6345 10.6345 11.8725 11.8725 14.8548 14.8548 k = 0.2429 0.2429 0.2429 ( 2395 PWs) bands (ev): -59.8770 -59.8770 -33.0084 -33.0084 -24.8376 -24.8376 -24.8333 -24.8333 -18.3928 -18.3928 -17.9691 -17.9691 -17.8740 -17.8740 -1.3788 -1.3788 -0.9776 -0.9776 -0.9426 -0.9426 -0.3979 -0.3979 -0.2680 -0.2680 -0.2372 -0.2372 1.0466 1.0466 1.0836 1.0836 1.2107 1.2107 10.2267 10.2267 10.3135 10.3135 10.7010 10.7010 11.9824 11.9824 14.9468 14.9468 k = 0.2500 0.2500 0.2500 ( 2401 PWs) bands (ev): -59.8769 -59.8769 -33.0108 -33.0108 -24.8515 -24.8515 -24.8472 -24.8472 -18.3749 -18.3749 -17.9322 -17.9322 -17.8398 -17.8398 -1.4245 -1.4245 -1.0434 -1.0434 -1.0060 -1.0060 -0.4412 -0.4412 -0.3128 -0.3128 -0.2814 -0.2814 1.0655 1.0655 1.1029 1.1029 1.2260 1.2260 10.2919 10.2919 10.3798 10.3798 10.7675 10.7675 12.0935 12.0935 15.0385 15.0385 k = 0.2571 0.2571 0.2571 ( 2401 PWs) bands (ev): -59.8768 -59.8768 -33.0133 -33.0133 -24.8653 -24.8653 -24.8610 -24.8610 -18.3572 -18.3572 -17.8952 -17.8952 -17.8055 -17.8055 -1.4704 -1.4704 -1.1091 -1.1091 -1.0696 -1.0696 -0.4833 -0.4833 -0.3569 -0.3569 -0.3251 -0.3251 1.0847 1.0847 1.1224 1.1224 1.2413 1.2413 10.3571 10.3571 10.4459 10.4459 10.8340 10.8340 12.2055 12.2055 15.1298 15.1298 k = 0.2643 0.2643 0.2643 ( 2398 PWs) bands (ev): -59.8767 -59.8767 -33.0157 -33.0157 -24.8789 -24.8789 -24.8747 -24.8747 -18.3396 -18.3396 -17.8579 -17.8579 -17.7714 -17.7714 -1.5163 -1.5163 -1.1746 -1.1746 -1.1334 -1.1334 -0.5241 -0.5241 -0.4004 -0.4004 -0.3681 -0.3681 1.1042 1.1042 1.1422 1.1422 1.2566 1.2566 10.4222 10.4222 10.5117 10.5117 10.9001 10.9001 12.3182 12.3182 15.2206 15.2206 k = 0.2714 0.2714 0.2714 ( 2404 PWs) bands (ev): -59.8766 -59.8766 -33.0181 -33.0181 -24.8924 -24.8924 -24.8883 -24.8883 -18.3222 -18.3222 -17.8207 -17.8207 -17.7373 -17.7373 -1.5623 -1.5623 -1.2397 -1.2397 -1.1972 -1.1972 -0.5637 -0.5637 -0.4432 -0.4432 -0.4105 -0.4105 1.1241 1.1241 1.1622 1.1622 1.2719 1.2719 10.4872 10.4872 10.5771 10.5771 10.9659 10.9659 12.4316 12.4316 15.3105 15.3105 k = 0.2786 0.2786 0.2786 ( 2392 PWs) bands (ev): -59.8764 -59.8764 -33.0205 -33.0205 -24.9056 -24.9056 -24.9016 -24.9016 -18.3050 -18.3050 -17.7835 -17.7835 -17.7035 -17.7035 -1.6080 -1.6080 -1.3043 -1.3043 -1.2607 -1.2607 -0.6021 -0.6021 -0.4853 -0.4853 -0.4522 -0.4522 1.1441 1.1441 1.1823 1.1823 1.2872 1.2872 10.5519 10.5519 10.6419 10.6419 11.0313 11.0313 12.5454 12.5454 15.3995 15.3995 k = 0.2857 0.2857 0.2857 ( 2398 PWs) bands (ev): -59.8763 -59.8763 -33.0229 -33.0229 -24.9187 -24.9187 -24.9148 -24.9148 -18.2881 -18.2881 -17.7465 -17.7465 -17.6699 -17.6699 -1.6534 -1.6534 -1.3681 -1.3681 -1.3238 -1.3238 -0.6392 -0.6392 -0.5266 -0.5266 -0.4931 -0.4931 1.1643 1.1643 1.2024 1.2024 1.3024 1.3024 10.6161 10.6161 10.7061 10.7061 11.0960 11.0960 12.6594 12.6594 15.4874 15.4874 k = 0.2929 0.2929 0.2929 ( 2395 PWs) bands (ev): -59.8762 -59.8762 -33.0252 -33.0252 -24.9315 -24.9315 -24.9278 -24.9278 -18.2713 -18.2713 -17.7096 -17.7096 -17.6366 -17.6366 -1.6985 -1.6985 -1.4312 -1.4312 -1.3863 -1.3863 -0.6752 -0.6752 -0.5670 -0.5670 -0.5331 -0.5331 1.1846 1.1846 1.2226 1.2226 1.3175 1.3175 10.6798 10.6798 10.7695 10.7695 11.1600 11.1600 12.7733 12.7733 15.5741 15.5741 k = 0.3000 0.3000 0.3000 ( 2395 PWs) bands (ev): -59.8761 -59.8761 -33.0276 -33.0276 -24.9441 -24.9441 -24.9405 -24.9405 -18.2549 -18.2549 -17.6731 -17.6731 -17.6037 -17.6037 -1.7431 -1.7431 -1.4933 -1.4933 -1.4481 -1.4481 -0.7099 -0.7099 -0.6065 -0.6065 -0.5722 -0.5722 1.2049 1.2049 1.2427 1.2427 1.3325 1.3325 10.7429 10.7429 10.8321 10.8321 11.2231 11.2231 12.8868 12.8868 15.6593 15.6593 k = 0.3071 0.3071 0.3071 ( 2395 PWs) bands (ev): -59.8760 -59.8760 -33.0299 -33.0299 -24.9564 -24.9564 -24.9529 -24.9529 -18.2387 -18.2387 -17.6370 -17.6370 -17.5713 -17.5713 -1.7871 -1.7871 -1.5544 -1.5544 -1.5091 -1.5091 -0.7434 -0.7434 -0.6450 -0.6450 -0.6104 -0.6104 1.2252 1.2252 1.2627 1.2627 1.3473 1.3473 10.8051 10.8051 10.8936 10.8936 11.2853 11.2853 12.9994 12.9994 15.7430 15.7430 k = 0.3143 0.3143 0.3143 ( 2395 PWs) bands (ev): -59.8759 -59.8759 -33.0321 -33.0321 -24.9684 -24.9684 -24.9651 -24.9651 -18.2228 -18.2228 -17.6014 -17.6014 -17.5394 -17.5394 -1.8304 -1.8304 -1.6142 -1.6142 -1.5690 -1.5690 -0.7757 -0.7757 -0.6826 -0.6826 -0.6475 -0.6475 1.2453 1.2453 1.2825 1.2825 1.3619 1.3619 10.8666 10.8666 10.9540 10.9540 11.3464 11.3464 13.1106 13.1106 15.8248 15.8248 k = 0.3214 0.3214 0.3214 ( 2383 PWs) bands (ev): -59.8758 -59.8758 -33.0343 -33.0343 -24.9801 -24.9801 -24.9769 -24.9769 -18.2073 -18.2073 -17.5664 -17.5664 -17.5081 -17.5081 -1.8729 -1.8729 -1.6728 -1.6728 -1.6278 -1.6278 -0.8067 -0.8067 -0.7191 -0.7191 -0.6836 -0.6836 1.2653 1.2653 1.3020 1.3020 1.3763 1.3763 10.9270 10.9270 11.0132 11.0132 11.4064 11.4064 13.2198 13.2198 15.9039 15.9039 k = 0.3286 0.3286 0.3286 ( 2383 PWs) bands (ev): -59.8757 -59.8757 -33.0364 -33.0364 -24.9915 -24.9915 -24.9885 -24.9885 -18.1921 -18.1921 -17.5320 -17.5320 -17.4774 -17.4774 -1.9146 -1.9146 -1.7299 -1.7299 -1.6853 -1.6853 -0.8366 -0.8366 -0.7545 -0.7545 -0.7186 -0.7186 1.2850 1.2850 1.3213 1.3213 1.3904 1.3904 10.9864 10.9864 11.0710 11.0710 11.4651 11.4651 13.3262 13.3262 15.9748 15.9748 k = 0.3357 0.3357 0.3357 ( 2383 PWs) bands (ev): -59.8756 -59.8756 -33.0385 -33.0385 -25.0025 -25.0025 -24.9997 -24.9997 -18.1773 -18.1773 -17.4983 -17.4983 -17.4474 -17.4474 -1.9552 -1.9552 -1.7856 -1.7856 -1.7414 -1.7414 -0.8653 -0.8653 -0.7888 -0.7888 -0.7525 -0.7525 1.3044 1.3044 1.3403 1.3403 1.4042 1.4042 11.0446 11.0446 11.1274 11.1274 11.5224 11.5224 13.4288 13.4288 15.9921 15.9921 k = 0.3429 0.3429 0.3429 ( 2383 PWs) bands (ev): -59.8755 -59.8755 -33.0406 -33.0406 -25.0132 -25.0132 -25.0105 -25.0105 -18.1628 -18.1628 -17.4654 -17.4654 -17.4182 -17.4182 -1.9948 -1.9948 -1.8396 -1.8396 -1.7960 -1.7960 -0.8929 -0.8929 -0.8219 -0.8219 -0.7852 -0.7852 1.3235 1.3235 1.3589 1.3589 1.4178 1.4178 11.1015 11.1015 11.1823 11.1823 11.5783 11.5783 13.5265 13.5265 15.9555 15.9555 k = 0.3500 0.3500 0.3500 ( 2389 PWs) bands (ev): -59.8754 -59.8754 -33.0426 -33.0426 -25.0234 -25.0234 -25.0210 -25.0210 -18.1489 -18.1489 -17.4334 -17.4334 -17.3898 -17.3898 -2.0333 -2.0333 -1.8920 -1.8920 -1.8490 -1.8490 -0.9192 -0.9192 -0.8539 -0.8539 -0.8166 -0.8166 1.3421 1.3421 1.3770 1.3770 1.4309 1.4309 11.1571 11.1571 11.2354 11.2354 11.6326 11.6326 13.6179 13.6179 15.9196 15.9196 k = 0.3571 0.3571 0.3571 ( 2389 PWs) bands (ev): -59.8753 -59.8753 -33.0445 -33.0445 -25.0333 -25.0333 -25.0310 -25.0310 -18.1353 -18.1353 -17.4023 -17.4023 -17.3622 -17.3622 -2.0705 -2.0705 -1.9425 -1.9425 -1.9002 -1.9002 -0.9443 -0.9443 -0.8845 -0.8845 -0.8468 -0.8468 1.3603 1.3603 1.3947 1.3947 1.4437 1.4437 11.2112 11.2112 11.2868 11.2868 11.6852 11.6852 13.7017 13.7017 15.8929 15.8929 k = 0.3643 0.3643 0.3643 ( 2386 PWs) bands (ev): -59.8752 -59.8752 -33.0463 -33.0463 -25.0428 -25.0428 -25.0407 -25.0407 -18.1222 -18.1222 -17.3723 -17.3723 -17.3356 -17.3356 -2.1065 -2.1065 -1.9912 -1.9912 -1.9496 -1.9496 -0.9683 -0.9683 -0.9139 -0.9139 -0.8756 -0.8756 1.3779 1.3779 1.4119 1.4119 1.4562 1.4562 11.2638 11.2638 11.3364 11.3364 11.7362 11.7362 13.7763 13.7763 15.8779 15.8779 k = 0.3714 0.3714 0.3714 ( 2386 PWs) bands (ev): -59.8751 -59.8751 -33.0481 -33.0481 -25.0519 -25.0519 -25.0500 -25.0500 -18.1097 -18.1097 -17.3433 -17.3433 -17.3101 -17.3101 -2.1410 -2.1410 -2.0379 -2.0379 -1.9971 -1.9971 -0.9911 -0.9911 -0.9420 -0.9420 -0.9031 -0.9031 1.3950 1.3950 1.4284 1.4284 1.4682 1.4682 11.3148 11.3148 11.3840 11.3840 11.7853 11.7853 13.8403 13.8403 15.8767 15.8767 k = 0.3786 0.3786 0.3786 ( 2386 PWs) bands (ev): -59.8751 -59.8751 -33.0498 -33.0498 -25.0606 -25.0606 -25.0588 -25.0588 -18.0976 -18.0976 -17.3155 -17.3155 -17.2855 -17.2855 -2.1742 -2.1742 -2.0825 -2.0825 -2.0425 -2.0425 -1.0127 -1.0127 -0.9688 -0.9688 -0.9293 -0.9293 1.4114 1.4114 1.4444 1.4444 1.4797 1.4797 11.3641 11.3641 11.4296 11.4296 11.8325 11.8325 13.8926 13.8926 15.8907 15.8907 k = 0.3857 0.3857 0.3857 ( 2389 PWs) bands (ev): -59.8750 -59.8750 -33.0514 -33.0514 -25.0688 -25.0688 -25.0672 -25.0672 -18.0861 -18.0861 -17.2889 -17.2889 -17.2621 -17.2621 -2.2058 -2.2058 -2.1250 -2.1250 -2.0857 -2.0857 -1.0332 -1.0332 -0.9941 -0.9941 -0.9540 -0.9540 1.4271 1.4271 1.4597 1.4597 1.4908 1.4908 11.4115 11.4115 11.4730 11.4730 11.8777 11.8777 13.9325 13.9325 15.9208 15.9208 k = 0.3929 0.3929 0.3929 ( 2389 PWs) bands (ev): -59.8749 -59.8749 -33.0529 -33.0529 -25.0765 -25.0765 -25.0751 -25.0751 -18.0752 -18.0752 -17.2636 -17.2636 -17.2398 -17.2398 -2.2359 -2.2359 -2.1653 -2.1653 -2.1268 -2.1268 -1.0524 -1.0524 -1.0181 -1.0181 -0.9773 -0.9773 1.4420 1.4420 1.4742 1.4742 1.5015 1.5015 11.4570 11.4570 11.5143 11.5143 11.9209 11.9209 13.9601 13.9601 15.9668 15.9668 k = 0.4000 0.4000 0.4000 ( 2383 PWs) bands (ev): -59.8749 -59.8749 -33.0544 -33.0544 -25.0838 -25.0838 -25.0826 -25.0826 -18.0649 -18.0649 -17.2396 -17.2396 -17.2187 -17.2187 -2.2643 -2.2643 -2.2033 -2.2033 -2.1655 -2.1655 -1.0705 -1.0705 -1.0407 -1.0407 -0.9992 -0.9992 1.4562 1.4562 1.4881 1.4881 1.5116 1.5116 11.5006 11.5006 11.5532 11.5532 11.9620 11.9620 13.9761 13.9761 16.0282 16.0282 k = 0.4071 0.4071 0.4071 ( 2383 PWs) bands (ev): -59.8748 -59.8748 -33.0558 -33.0558 -25.0907 -25.0907 -25.0896 -25.0896 -18.0552 -18.0552 -17.2171 -17.2171 -17.1988 -17.1988 -2.2911 -2.2911 -2.2390 -2.2390 -2.2018 -2.2018 -1.0874 -1.0874 -1.0618 -1.0618 -1.0196 -1.0196 1.4695 1.4695 1.5011 1.5011 1.5212 1.5212 11.5420 11.5420 11.5898 11.5898 12.0008 12.0008 13.9819 13.9819 16.1035 16.1035 k = 0.4143 0.4143 0.4143 ( 2383 PWs) bands (ev): -59.8747 -59.8747 -33.0570 -33.0570 -25.0970 -25.0970 -25.0961 -25.0961 -18.0461 -18.0461 -17.1959 -17.1959 -17.1803 -17.1803 -2.3162 -2.3162 -2.2723 -2.2723 -2.2357 -2.2357 -1.1032 -1.1032 -1.0814 -1.0814 -1.0384 -1.0384 1.4819 1.4819 1.5134 1.5134 1.5302 1.5302 11.5811 11.5811 11.6240 11.6240 12.0374 12.0374 13.9791 13.9791 16.1908 16.1908 k = 0.4214 0.4214 0.4214 ( 2383 PWs) bands (ev): -59.8747 -59.8747 -33.0582 -33.0582 -25.1029 -25.1029 -25.1021 -25.1021 -18.0377 -18.0377 -17.1763 -17.1763 -17.1630 -17.1630 -2.3395 -2.3395 -2.3031 -2.3031 -2.2670 -2.2670 -1.1177 -1.1177 -1.0995 -1.0995 -1.0558 -1.0558 1.4934 1.4934 1.5248 1.5248 1.5387 1.5387 11.6179 11.6179 11.6557 11.6557 12.0716 12.0716 13.9695 13.9695 16.2880 16.2880 k = 0.4286 0.4286 0.4286 ( 2383 PWs) bands (ev): -59.8746 -59.8746 -33.0593 -33.0593 -25.1083 -25.1083 -25.1077 -25.1077 -18.0299 -18.0299 -17.1582 -17.1582 -17.1472 -17.1472 -2.3611 -2.3611 -2.3315 -2.3315 -2.2957 -2.2957 -1.1311 -1.1311 -1.1161 -1.1161 -1.0716 -1.0716 1.5039 1.5039 1.5353 1.5353 1.5466 1.5466 11.6521 11.6521 11.6848 11.6848 12.1034 12.1034 13.9548 13.9548 16.3925 16.3925 k = 0.4357 0.4357 0.4357 ( 2386 PWs) bands (ev): -59.8746 -59.8746 -33.0603 -33.0603 -25.1132 -25.1132 -25.1127 -25.1127 -18.0228 -18.0228 -17.1417 -17.1417 -17.1327 -17.1327 -2.3808 -2.3808 -2.3573 -2.3573 -2.3218 -2.3218 -1.1433 -1.1433 -1.1313 -1.1313 -1.0860 -1.0860 1.5135 1.5135 1.5449 1.5449 1.5538 1.5538 11.6837 11.6837 11.7113 11.7113 12.1326 12.1326 13.9368 13.9368 16.5020 16.5020 k = 0.4429 0.4429 0.4429 ( 2386 PWs) bands (ev): -59.8746 -59.8746 -33.0612 -33.0612 -25.1176 -25.1176 -25.1172 -25.1172 -18.0165 -18.0165 -17.1268 -17.1268 -17.1197 -17.1197 -2.3987 -2.3987 -2.3804 -2.3804 -2.3451 -2.3451 -1.1542 -1.1542 -1.1448 -1.1448 -1.0988 -1.0988 1.5220 1.5220 1.5536 1.5536 1.5605 1.5605 11.7125 11.7125 11.7351 11.7351 12.1592 12.1592 13.9170 13.9170 16.6136 16.6136 k = 0.4500 0.4500 0.4500 ( 2386 PWs) bands (ev): -59.8745 -59.8745 -33.0619 -33.0619 -25.1215 -25.1215 -25.1212 -25.1212 -18.0108 -18.0108 -17.1136 -17.1136 -17.1081 -17.1081 -2.4147 -2.4147 -2.4010 -2.4010 -2.3656 -2.3656 -1.1639 -1.1639 -1.1568 -1.1568 -1.1100 -1.1100 1.5296 1.5296 1.5613 1.5613 1.5664 1.5664 11.7383 11.7383 11.7563 11.7563 12.1831 12.1831 13.8967 13.8967 16.7244 16.7244 k = 0.4571 0.4571 0.4571 ( 2386 PWs) bands (ev): -59.8745 -59.8745 -33.0626 -33.0626 -25.1249 -25.1249 -25.1246 -25.1246 -18.0059 -18.0059 -17.1020 -17.1020 -17.0980 -17.0980 -2.4287 -2.4287 -2.4189 -2.4189 -2.3834 -2.3834 -1.1724 -1.1724 -1.1672 -1.1672 -1.1197 -1.1197 1.5361 1.5361 1.5680 1.5680 1.5717 1.5717 11.7611 11.7611 11.7747 11.7747 12.2041 12.2041 13.8768 13.8768 16.8315 16.8315 k = 0.4643 0.4643 0.4643 ( 2386 PWs) bands (ev): -59.8745 -59.8745 -33.0632 -33.0632 -25.1278 -25.1278 -25.1276 -25.1276 -18.0017 -18.0017 -17.0922 -17.0922 -17.0894 -17.0894 -2.4407 -2.4407 -2.4341 -2.4341 -2.3984 -2.3984 -1.1796 -1.1796 -1.1760 -1.1760 -1.1279 -1.1279 1.5416 1.5416 1.5737 1.5737 1.5762 1.5762 11.7806 11.7806 11.7903 11.7903 12.2222 12.2222 13.8585 13.8585 16.9317 16.9317 k = 0.4714 0.4714 0.4714 ( 2386 PWs) bands (ev): -59.8744 -59.8744 -33.0637 -33.0637 -25.1301 -25.1301 -25.1300 -25.1300 -17.9983 -17.9983 -17.0842 -17.0842 -17.0824 -17.0824 -2.4507 -2.4507 -2.4466 -2.4466 -2.4106 -2.4106 -1.1855 -1.1855 -1.1832 -1.1832 -1.1346 -1.1346 1.5461 1.5461 1.5784 1.5784 1.5800 1.5800 11.7968 11.7968 11.8032 11.8032 12.2372 12.2372 13.8425 13.8425 17.0221 17.0221 k = 0.4786 0.4786 0.4786 ( 2386 PWs) bands (ev): -59.8744 -59.8744 -33.0641 -33.0641 -25.1319 -25.1319 -25.1319 -25.1319 -17.9956 -17.9956 -17.0779 -17.0779 -17.0769 -17.0769 -2.4586 -2.4586 -2.4563 -2.4563 -2.4200 -2.4200 -1.1902 -1.1902 -1.1889 -1.1889 -1.1399 -1.1399 1.5495 1.5495 1.5821 1.5821 1.5829 1.5829 11.8095 11.8095 11.8132 11.8132 12.2490 12.2490 13.8294 13.8294 17.0995 17.0995 k = 0.4857 0.4857 0.4857 ( 2389 PWs) bands (ev): -59.8744 -59.8744 -33.0643 -33.0643 -25.1333 -25.1333 -25.1332 -25.1332 -17.9937 -17.9937 -17.0734 -17.0734 -17.0730 -17.0730 -2.4642 -2.4642 -2.4632 -2.4632 -2.4267 -2.4267 -1.1935 -1.1935 -1.1929 -1.1929 -1.1436 -1.1436 1.5520 1.5520 1.5847 1.5847 1.5851 1.5851 11.8187 11.8187 11.8203 11.8203 12.2575 12.2575 13.8196 13.8196 17.1602 17.1602 k = 0.4929 0.4929 0.4929 ( 2407 PWs) bands (ev): -59.8744 -59.8744 -33.0645 -33.0645 -25.1341 -25.1341 -25.1341 -25.1341 -17.9925 -17.9925 -17.0707 -17.0707 -17.0706 -17.0706 -2.4677 -2.4677 -2.4675 -2.4675 -2.4308 -2.4308 -1.1955 -1.1955 -1.1954 -1.1954 -1.1458 -1.1458 1.5535 1.5535 1.5863 1.5863 1.5863 1.5863 11.8242 11.8242 11.8246 11.8246 12.2626 12.2626 13.8136 13.8136 17.1997 17.1997 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -59.8745 -59.8745 -33.0646 -33.0646 -25.1344 -25.1344 -25.1344 -25.1344 -17.9922 -17.9922 -17.0699 -17.0699 -17.0699 -17.0699 -2.4690 -2.4690 -2.4690 -2.4690 -2.4322 -2.4322 -1.1962 -1.1962 -1.1962 -1.1962 -1.1466 -1.1466 1.5540 1.5540 1.5868 1.5868 1.5868 1.5868 11.8259 11.8259 11.8259 11.8259 12.2642 12.2642 13.8116 13.8116 17.2136 17.2136 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -59.8745 -59.8745 -33.0646 -33.0646 -25.1344 -25.1344 -25.1344 -25.1344 -17.9922 -17.9922 -17.0699 -17.0699 -17.0699 -17.0699 -2.4690 -2.4690 -2.4690 -2.4690 -2.4322 -2.4322 -1.1962 -1.1962 -1.1962 -1.1962 -1.1466 -1.1466 1.5540 1.5540 1.5868 1.5868 1.5868 1.5868 11.8259 11.8259 11.8259 11.8259 12.2642 12.2642 13.8116 13.8116 17.2136 17.2136 k = 0.4912 0.5000 0.4912 ( 2406 PWs) bands (ev): -59.8744 -59.8744 -33.0645 -33.0645 -25.1342 -25.1342 -25.1339 -25.1339 -17.9925 -17.9925 -17.0711 -17.0711 -17.0702 -17.0702 -2.4683 -2.4683 -2.4669 -2.4669 -2.4308 -2.4308 -1.1956 -1.1956 -1.1952 -1.1952 -1.1458 -1.1458 1.5535 1.5535 1.5862 1.5862 1.5864 1.5864 11.8240 11.8240 11.8247 11.8247 12.2625 12.2625 13.8137 13.8137 17.1997 17.1997 k = 0.4825 0.5000 0.4825 ( 2390 PWs) bands (ev): -59.8744 -59.8744 -33.0643 -33.0643 -25.1338 -25.1338 -25.1327 -25.1327 -17.9937 -17.9937 -17.0749 -17.0749 -17.0715 -17.0715 -2.4667 -2.4667 -2.4611 -2.4611 -2.4264 -2.4264 -1.1940 -1.1940 -1.1924 -1.1924 -1.1435 -1.1435 1.5520 1.5520 1.5844 1.5844 1.5853 1.5853 11.8182 11.8182 11.8208 11.8208 12.2574 12.2574 13.8197 13.8197 17.1601 17.1601 k = 0.4737 0.5000 0.4737 ( 2382 PWs) bands (ev): -59.8744 -59.8744 -33.0641 -33.0641 -25.1332 -25.1332 -25.1306 -25.1306 -17.9956 -17.9956 -17.0812 -17.0812 -17.0736 -17.0736 -2.4648 -2.4648 -2.4516 -2.4516 -2.4183 -2.4183 -1.1914 -1.1914 -1.1876 -1.1876 -1.1396 -1.1396 1.5494 1.5494 1.5814 1.5814 1.5836 1.5836 11.8084 11.8084 11.8142 11.8142 12.2489 12.2489 13.8296 13.8296 17.0999 17.0999 k = 0.4649 0.5000 0.4649 ( 2382 PWs) bands (ev): -59.8744 -59.8744 -33.0637 -33.0637 -25.1323 -25.1323 -25.1278 -25.1278 -17.9983 -17.9983 -17.0901 -17.0901 -17.0765 -17.0765 -2.4631 -2.4631 -2.4384 -2.4384 -2.4061 -2.4061 -1.1878 -1.1878 -1.1813 -1.1813 -1.1341 -1.1341 1.5458 1.5458 1.5774 1.5774 1.5811 1.5811 11.7947 11.7947 11.8051 11.8051 12.2371 12.2371 13.8429 13.8429 17.0244 17.0244 k = 0.4561 0.5000 0.4561 ( 2382 PWs) bands (ev): -59.8744 -59.8744 -33.0632 -33.0632 -25.1312 -25.1312 -25.1241 -25.1241 -18.0018 -18.0018 -17.1014 -17.1014 -17.0803 -17.0803 -2.4618 -2.4618 -2.4216 -2.4216 -2.3894 -2.3894 -1.1832 -1.1832 -1.1733 -1.1733 -1.1267 -1.1267 1.5410 1.5410 1.5723 1.5723 1.5780 1.5780 11.7772 11.7772 11.7934 11.7934 12.2222 12.2222 13.8595 13.8595 16.9380 16.9380 k = 0.4474 0.5000 0.4474 ( 2382 PWs) bands (ev): -59.8745 -59.8745 -33.0626 -33.0626 -25.1298 -25.1298 -25.1197 -25.1197 -18.0061 -18.0061 -17.1152 -17.1152 -17.0848 -17.0848 -2.4610 -2.4610 -2.4015 -2.4015 -2.3681 -2.3681 -1.1776 -1.1776 -1.1641 -1.1641 -1.1172 -1.1172 1.5349 1.5349 1.5662 1.5662 1.5742 1.5742 11.7560 11.7560 11.7792 11.7792 12.2042 12.2042 13.8787 13.8787 16.8441 16.8441 k = 0.4386 0.5000 0.4386 ( 2382 PWs) bands (ev): -59.8745 -59.8745 -33.0619 -33.0619 -25.1282 -25.1282 -25.1145 -25.1145 -18.0112 -18.0112 -17.1313 -17.1313 -17.0900 -17.0900 -2.4605 -2.4605 -2.3781 -2.3781 -2.3423 -2.3423 -1.1711 -1.1711 -1.1536 -1.1536 -1.1054 -1.1054 1.5274 1.5274 1.5593 1.5593 1.5699 1.5699 11.7311 11.7311 11.7626 11.7626 12.1835 12.1835 13.8999 13.8999 16.7449 16.7450 k = 0.4298 0.5000 0.4298 ( 2382 PWs) bands (ev): -59.8745 -59.8745 -33.0612 -33.0612 -25.1263 -25.1263 -25.1084 -25.1084 -18.0171 -18.0171 -17.1498 -17.1498 -17.0959 -17.0959 -2.4603 -2.4603 -2.3514 -2.3514 -2.3122 -2.3122 -1.1637 -1.1637 -1.1423 -1.1423 -1.0911 -1.0911 1.5186 1.5186 1.5516 1.5516 1.5649 1.5649 11.7026 11.7026 11.7438 11.7438 12.1601 12.1601 13.9225 13.9225 16.6424 16.6424 k = 0.4211 0.5000 0.4211 ( 2382 PWs) bands (ev): -59.8746 -59.8746 -33.0603 -33.0603 -25.1242 -25.1242 -25.1017 -25.1017 -18.0238 -18.0238 -17.1705 -17.1705 -17.1024 -17.1024 -2.4602 -2.4602 -2.3217 -2.3217 -2.2779 -2.2779 -1.1554 -1.1554 -1.1300 -1.1300 -1.0742 -1.0742 1.5083 1.5083 1.5430 1.5430 1.5595 1.5595 11.6706 11.6706 11.7227 11.7227 12.1343 12.1343 13.9456 13.9456 16.5376 16.5376 k = 0.4123 0.5000 0.4123 ( 2382 PWs) bands (ev): -59.8746 -59.8746 -33.0593 -33.0593 -25.1219 -25.1219 -25.0941 -25.0941 -18.0313 -18.0313 -17.1934 -17.1934 -17.1096 -17.1096 -2.4603 -2.4603 -2.2889 -2.2889 -2.2396 -2.2396 -1.1462 -1.1462 -1.1170 -1.1170 -1.0547 -1.0547 1.4965 1.4965 1.5338 1.5338 1.5534 1.5534 11.6351 11.6351 11.6995 11.6995 12.1063 12.1063 13.9684 13.9684 16.4311 16.4311 k = 0.4035 0.5000 0.4035 ( 2384 PWs) bands (ev): -59.8747 -59.8747 -33.0582 -33.0582 -25.1193 -25.1193 -25.0858 -25.0858 -18.0397 -18.0397 -17.2184 -17.2184 -17.1172 -17.1172 -2.4605 -2.4605 -2.2531 -2.2531 -2.1974 -2.1974 -1.1362 -1.1362 -1.1031 -1.1031 -1.0327 -1.0327 1.4835 1.4835 1.5237 1.5237 1.5469 1.5469 11.5962 11.5962 11.6744 11.6744 12.0762 12.0762 13.9900 13.9900 16.3232 16.3232 k = 0.3947 0.5000 0.3947 ( 2384 PWs) bands (ev): -59.8747 -59.8747 -33.0571 -33.0571 -25.1166 -25.1166 -25.0768 -25.0768 -18.0489 -18.0489 -17.2454 -17.2454 -17.1254 -17.1254 -2.4608 -2.4608 -2.2145 -2.2145 -2.1514 -2.1514 -1.1254 -1.1254 -1.0884 -1.0884 -1.0082 -1.0082 1.4691 1.4691 1.5128 1.5128 1.5398 1.5398 11.5539 11.5539 11.6475 11.6475 12.0444 12.0444 14.0092 14.0092 16.2140 16.2140 k = 0.3860 0.5000 0.3860 ( 2390 PWs) bands (ev): -59.8748 -59.8748 -33.0558 -33.0558 -25.1136 -25.1136 -25.0671 -25.0671 -18.0589 -18.0589 -17.2744 -17.2744 -17.1339 -17.1339 -2.4611 -2.4611 -2.1730 -2.1730 -2.1019 -2.1019 -1.1138 -1.1138 -1.0726 -1.0726 -0.9813 -0.9813 1.4536 1.4536 1.5011 1.5011 1.5322 1.5322 11.5083 11.5083 11.6189 11.6189 12.0109 12.0109 14.0250 14.0250 16.1036 16.1036 k = 0.3772 0.5000 0.3772 ( 2390 PWs) bands (ev): -59.8749 -59.8749 -33.0545 -33.0545 -25.1104 -25.1104 -25.0567 -25.0567 -18.0698 -18.0698 -17.3052 -17.3052 -17.1428 -17.1428 -2.4615 -2.4615 -2.1287 -2.1287 -2.0489 -2.0489 -1.1013 -1.1013 -1.0558 -1.0558 -0.9522 -0.9522 1.4369 1.4369 1.4886 1.4886 1.5240 1.5240 11.4596 11.4596 11.5888 11.5888 11.9761 11.9761 14.0364 14.0364 15.9919 15.9919 k = 0.3684 0.5000 0.3684 ( 2386 PWs) bands (ev): -59.8749 -59.8749 -33.0531 -33.0531 -25.1070 -25.1070 -25.0456 -25.0456 -18.0815 -18.0815 -17.3377 -17.3377 -17.1520 -17.1520 -2.4619 -2.4619 -2.0819 -2.0819 -1.9926 -1.9926 -1.0879 -1.0879 -1.0380 -1.0380 -0.9209 -0.9209 1.4192 1.4192 1.4751 1.4751 1.5153 1.5153 11.4077 11.4077 11.5574 11.5574 11.9401 11.9401 14.0423 14.0423 15.8792 15.8792 k = 0.3596 0.5000 0.3596 ( 2386 PWs) bands (ev): -59.8750 -59.8750 -33.0516 -33.0516 -25.1034 -25.1034 -25.0339 -25.0339 -18.0940 -18.0940 -17.3718 -17.3718 -17.1614 -17.1614 -2.4624 -2.4624 -2.0325 -2.0325 -1.9333 -1.9333 -1.0738 -1.0738 -1.0192 -1.0192 -0.8874 -0.8874 1.4006 1.4006 1.4608 1.4608 1.5060 1.5060 11.3528 11.3528 11.5247 11.5247 11.9029 11.9029 14.0420 14.0420 15.7656 15.7656 k = 0.3509 0.5000 0.3509 ( 2384 PWs) bands (ev): -59.8751 -59.8751 -33.0501 -33.0501 -25.0997 -25.0997 -25.0215 -25.0215 -18.1074 -18.1074 -17.4074 -17.4074 -17.1710 -17.1710 -2.4629 -2.4629 -1.9807 -1.9807 -1.8709 -1.8709 -1.0587 -1.0587 -0.9993 -0.9993 -0.8520 -0.8520 1.3812 1.3812 1.4456 1.4456 1.4961 1.4961 11.2950 11.2950 11.4909 11.4909 11.8649 11.8649 14.0347 14.0347 15.6515 15.6515 k = 0.3421 0.5000 0.3421 ( 2384 PWs) bands (ev): -59.8751 -59.8751 -33.0485 -33.0485 -25.0957 -25.0957 -25.0086 -25.0086 -18.1215 -18.1215 -17.4444 -17.4444 -17.1806 -17.1806 -2.4635 -2.4635 -1.9268 -1.9268 -1.8059 -1.8059 -1.0429 -1.0429 -0.9783 -0.9783 -0.8146 -0.8146 1.3611 1.3611 1.4294 1.4294 1.4856 1.4856 11.2345 11.2345 11.4562 11.4562 11.8261 11.8261 14.0203 14.0203 15.5372 15.5372 k = 0.3333 0.5000 0.3333 ( 2392 PWs) bands (ev): -59.8752 -59.8752 -33.0468 -33.0468 -25.0916 -25.0916 -24.9951 -24.9951 -18.1365 -18.1365 -17.4826 -17.4826 -17.1904 -17.1904 -2.4641 -2.4641 -1.8707 -1.8707 -1.7382 -1.7382 -1.0261 -1.0261 -0.9563 -0.9563 -0.7754 -0.7754 1.3402 1.3402 1.4124 1.4124 1.4745 1.4745 11.1713 11.1713 11.4207 11.4207 11.7867 11.7867 13.9986 13.9986 15.4228 15.4228 k = 0.3246 0.5000 0.3246 ( 2392 PWs) bands (ev): -59.8753 -59.8753 -33.0451 -33.0451 -25.0874 -25.0874 -24.9810 -24.9810 -18.1523 -18.1523 -17.5220 -17.5220 -17.2001 -17.2001 -2.4647 -2.4647 -1.8127 -1.8127 -1.6682 -1.6682 -1.0085 -1.0085 -0.9333 -0.9333 -0.7343 -0.7343 1.3189 1.3189 1.3944 1.3944 1.4628 1.4628 11.1058 11.1058 11.3845 11.3845 11.7467 11.7467 13.9698 13.9698 15.3085 15.3085 k = 0.3158 0.5000 0.3158 ( 2390 PWs) bands (ev): -59.8754 -59.8754 -33.0433 -33.0433 -25.0829 -25.0829 -24.9665 -24.9665 -18.1688 -18.1688 -17.5624 -17.5624 -17.2097 -17.2097 -2.4654 -2.4654 -1.7529 -1.7529 -1.5959 -1.5959 -0.9899 -0.9899 -0.9093 -0.9093 -0.6914 -0.6914 1.2970 1.2970 1.3755 1.3755 1.4505 1.4505 11.0381 11.0381 11.3478 11.3478 11.7064 11.7064 13.9346 13.9346 15.1946 15.1946 k = 0.3070 0.5000 0.3070 ( 2390 PWs) bands (ev): -59.8755 -59.8755 -33.0415 -33.0415 -25.0784 -25.0784 -24.9514 -24.9514 -18.1860 -18.1860 -17.6037 -17.6037 -17.2193 -17.2193 -2.4661 -2.4661 -1.6915 -1.6915 -1.5217 -1.5217 -0.9705 -0.9705 -0.8843 -0.8843 -0.6470 -0.6470 1.2748 1.2748 1.3557 1.3557 1.4375 1.4375 10.9684 10.9684 11.3106 11.3106 11.6657 11.6657 13.8937 13.8937 15.0812 15.0812 k = 0.2982 0.5000 0.2982 ( 2390 PWs) bands (ev): -59.8755 -59.8755 -33.0396 -33.0396 -25.0738 -25.0738 -24.9360 -24.9360 -18.2040 -18.2040 -17.6457 -17.6457 -17.2286 -17.2286 -2.4668 -2.4668 -1.6287 -1.6287 -1.4456 -1.4456 -0.9502 -0.9502 -0.8584 -0.8584 -0.6009 -0.6009 1.2523 1.2523 1.3350 1.3350 1.4239 1.4239 10.8970 10.8970 11.2732 11.2732 11.6249 11.6249 13.8477 13.8477 14.9683 14.9683 k = 0.2895 0.5000 0.2895 ( 2386 PWs) bands (ev): -59.8756 -59.8756 -33.0378 -33.0378 -25.0690 -25.0690 -24.9201 -24.9201 -18.2225 -18.2225 -17.6883 -17.6883 -17.2379 -17.2379 -2.4675 -2.4675 -1.5647 -1.5647 -1.3680 -1.3680 -0.9289 -0.9289 -0.8316 -0.8316 -0.5533 -0.5533 1.2296 1.2296 1.3133 1.3133 1.4096 1.4096 10.8240 10.8240 11.2355 11.2355 11.5839 11.5839 13.7976 13.7976 14.8560 14.8560 k = 0.2807 0.5000 0.2807 ( 2386 PWs) bands (ev): -59.8757 -59.8757 -33.0358 -33.0358 -25.0641 -25.0641 -24.9039 -24.9039 -18.2417 -18.2417 -17.7314 -17.7314 -17.2468 -17.2468 -2.4682 -2.4682 -1.4996 -1.4996 -1.2890 -1.2890 -0.9067 -0.9067 -0.8039 -0.8039 -0.5042 -0.5042 1.2068 1.2068 1.2908 1.2908 1.3946 1.3946 10.7498 10.7498 11.1977 11.1977 11.5429 11.5429 13.7443 13.7443 14.7445 14.7445 k = 0.2719 0.5000 0.2719 ( 2390 PWs) bands (ev): -59.8758 -59.8758 -33.0339 -33.0339 -25.0592 -25.0592 -24.8873 -24.8873 -18.2615 -18.2615 -17.7748 -17.7748 -17.2556 -17.2556 -2.4689 -2.4689 -1.4338 -1.4338 -1.2090 -1.2090 -0.8835 -0.8835 -0.7753 -0.7753 -0.4538 -0.4538 1.1839 1.1839 1.2674 1.2674 1.3790 1.3790 10.6745 10.6745 11.1599 11.1599 11.5020 11.5020 13.6885 13.6885 14.6338 14.6338 k = 0.2632 0.5000 0.2632 ( 2390 PWs) bands (ev): -59.8759 -59.8759 -33.0319 -33.0319 -25.0542 -25.0542 -24.8705 -24.8705 -18.2818 -18.2818 -17.8184 -17.8184 -17.2641 -17.2641 -2.4697 -2.4697 -1.3674 -1.3674 -1.1280 -1.1280 -0.8594 -0.8594 -0.7460 -0.7460 -0.4021 -0.4021 1.1611 1.1611 1.2431 1.2431 1.3627 1.3627 10.5983 10.5983 11.1222 11.1222 11.4612 11.4612 13.6309 13.6309 14.5240 14.5240 k = 0.2544 0.5000 0.2544 ( 2390 PWs) bands (ev): -59.8760 -59.8760 -33.0300 -33.0300 -25.0491 -25.0491 -24.8534 -24.8534 -18.3025 -18.3025 -17.8621 -17.8621 -17.2723 -17.2723 -2.4704 -2.4704 -1.3006 -1.3006 -1.0465 -1.0465 -0.8342 -0.8342 -0.7158 -0.7158 -0.3492 -0.3492 1.1384 1.1384 1.2180 1.2180 1.3457 1.3457 10.5216 10.5216 11.0847 11.0847 11.4208 11.4208 13.5721 13.5721 14.4151 14.4151 k = 0.2456 0.5000 0.2456 ( 2394 PWs) bands (ev): -59.8761 -59.8761 -33.0280 -33.0280 -25.0440 -25.0440 -24.8361 -24.8361 -18.3237 -18.3237 -17.9056 -17.9056 -17.2802 -17.2802 -2.4712 -2.4712 -1.2337 -1.2337 -0.9646 -0.9646 -0.8081 -0.8081 -0.6850 -0.6850 -0.2952 -0.2952 1.1160 1.1160 1.1921 1.1921 1.3281 1.3281 10.4445 10.4445 11.0474 11.0474 11.3806 11.3806 13.5128 13.5128 14.3073 14.3073 k = 0.2368 0.5000 0.2368 ( 2398 PWs) bands (ev): -59.8762 -59.8762 -33.0261 -33.0261 -25.0389 -25.0389 -24.8187 -24.8187 -18.3452 -18.3452 -17.9490 -17.9490 -17.2877 -17.2877 -2.4719 -2.4719 -1.1670 -1.1670 -0.8826 -0.8826 -0.7808 -0.7808 -0.6534 -0.6534 -0.2402 -0.2402 1.0938 1.0938 1.1654 1.1654 1.3098 1.3098 10.3673 10.3673 11.0105 11.0105 11.3409 11.3409 13.4534 13.4534 14.2007 14.2007 k = 0.2281 0.5000 0.2281 ( 2392 PWs) bands (ev): -59.8763 -59.8763 -33.0241 -33.0241 -25.0338 -25.0338 -24.8013 -24.8013 -18.3670 -18.3670 -17.9919 -17.9919 -17.2950 -17.2950 -2.4727 -2.4727 -1.1008 -1.1008 -0.8010 -0.8010 -0.7523 -0.7523 -0.6212 -0.6212 -0.1842 -0.1842 1.0719 1.0719 1.1380 1.1380 1.2908 1.2908 10.2903 10.2903 10.9741 10.9741 11.3017 11.3017 13.3943 13.3943 14.0955 14.0955 k = 0.2193 0.5000 0.2193 ( 2400 PWs) bands (ev): -59.8764 -59.8764 -33.0221 -33.0221 -25.0286 -25.0286 -24.7837 -24.7837 -18.3891 -18.3891 -18.0343 -18.0343 -17.3019 -17.3019 -2.4734 -2.4734 -1.0353 -1.0353 -0.7260 -0.7260 -0.7164 -0.7164 -0.5885 -0.5885 -0.1276 -0.1276 1.0503 1.0503 1.1100 1.1100 1.2712 1.2712 10.2135 10.2135 10.9382 10.9382 11.2632 11.2632 13.3359 13.3359 13.9917 13.9917 k = 0.2105 0.5000 0.2105 ( 2400 PWs) bands (ev): -59.8765 -59.8765 -33.0202 -33.0202 -25.0235 -25.0235 -24.7662 -24.7662 -18.4114 -18.4114 -18.0760 -18.0760 -17.3085 -17.3085 -2.4742 -2.4742 -0.9708 -0.9708 -0.6928 -0.6928 -0.6382 -0.6382 -0.5551 -0.5551 -0.0702 -0.0702 1.0290 1.0290 1.0817 1.0817 1.2509 1.2509 10.1373 10.1373 10.9029 10.9029 11.2253 11.2253 13.2785 13.2785 13.8896 13.8896 k = 0.2018 0.5000 0.2018 ( 2396 PWs) bands (ev): -59.8765 -59.8765 -33.0183 -33.0183 -25.0185 -25.0185 -24.7488 -24.7488 -18.4338 -18.4338 -18.1169 -18.1169 -17.3148 -17.3148 -2.4749 -2.4749 -0.9078 -0.9078 -0.6606 -0.6606 -0.5588 -0.5588 -0.5213 -0.5213 -0.0122 -0.0122 1.0077 1.0077 1.0533 1.0533 1.2300 1.2300 10.0620 10.0620 10.8683 10.8683 11.1883 11.1883 13.2224 13.2224 13.7892 13.7892 k = 0.1930 0.5000 0.1930 ( 2408 PWs) bands (ev): -59.8766 -59.8766 -33.0165 -33.0165 -25.0135 -25.0135 -24.7315 -24.7315 -18.4563 -18.4563 -18.1568 -18.1568 -17.3207 -17.3207 -2.4757 -2.4757 -0.8467 -0.8467 -0.6270 -0.6270 -0.4873 -0.4873 -0.4806 -0.4806 0.0461 0.0461 0.9858 0.9858 1.0257 1.0257 1.2084 1.2084 9.9876 9.9876 10.8344 10.8344 11.1521 11.1521 13.1677 13.1677 13.6909 13.6909 k = 0.1842 0.5000 0.1842 ( 2400 PWs) bands (ev): -59.8767 -59.8767 -33.0146 -33.0146 -25.0085 -25.0085 -24.7144 -24.7144 -18.4788 -18.4788 -18.1955 -18.1955 -17.3264 -17.3264 -2.4764 -2.4764 -0.7878 -0.7878 -0.5917 -0.5917 -0.4526 -0.4526 -0.4042 -0.4042 0.1047 0.1047 0.9622 0.9622 1.0001 1.0001 1.1863 1.1863 9.9144 9.9144 10.8015 10.8015 11.1169 11.1169 13.1147 13.1147 13.5947 13.5947 k = 0.1754 0.5000 0.1754 ( 2392 PWs) bands (ev): -59.8768 -59.8768 -33.0128 -33.0128 -25.0037 -25.0037 -24.6975 -24.6975 -18.5013 -18.5013 -18.2330 -18.2330 -17.3316 -17.3316 -2.4770 -2.4770 -0.7314 -0.7314 -0.5547 -0.5547 -0.4176 -0.4176 -0.3297 -0.3297 0.1633 0.1633 0.9356 0.9356 0.9777 0.9777 1.1637 1.1637 9.8427 9.8427 10.7695 10.7695 11.0828 11.0828 13.0635 13.0635 13.5010 13.5010 k = 0.1667 0.5000 0.1667 ( 2388 PWs) bands (ev): -59.8769 -59.8769 -33.0111 -33.0111 -24.9990 -24.9990 -24.6810 -24.6810 -18.5237 -18.5237 -18.2690 -18.2690 -17.3366 -17.3366 -2.4777 -2.4777 -0.6780 -0.6780 -0.5158 -0.5158 -0.3825 -0.3825 -0.2575 -0.2575 0.2218 0.2218 0.9061 0.9061 0.9589 0.9589 1.1404 1.1404 9.7727 9.7727 10.7386 10.7386 11.0498 11.0498 13.0142 13.0142 13.4098 13.4098 k = 0.1579 0.5000 0.1579 ( 2396 PWs) bands (ev): -59.8769 -59.8769 -33.0094 -33.0094 -24.9943 -24.9943 -24.6648 -24.6648 -18.5460 -18.5460 -18.3035 -18.3035 -17.3413 -17.3413 -2.4784 -2.4784 -0.6277 -0.6277 -0.4752 -0.4752 -0.3472 -0.3472 -0.1879 -0.1879 0.2798 0.2798 0.8744 0.8744 0.9429 0.9429 1.1167 1.1167 9.7045 9.7045 10.7086 10.7086 11.0180 11.0180 12.9670 12.9670 13.3215 13.3215 k = 0.1491 0.5000 0.1491 ( 2404 PWs) bands (ev): -59.8770 -59.8770 -33.0078 -33.0078 -24.9899 -24.9899 -24.6490 -24.6490 -18.5682 -18.5682 -18.3363 -18.3363 -17.3457 -17.3457 -2.4790 -2.4790 -0.5804 -0.5804 -0.4332 -0.4332 -0.3118 -0.3118 -0.1213 -0.1213 0.3373 0.3373 0.8412 0.8412 0.9293 0.9293 1.0926 1.0926 9.6383 9.6383 10.6798 10.6798 10.9875 10.9875 12.9220 12.9220 13.2363 13.2363 k = 0.1404 0.5000 0.1404 ( 2402 PWs) bands (ev): -59.8771 -59.8771 -33.0062 -33.0062 -24.9856 -24.9856 -24.6338 -24.6338 -18.5900 -18.5900 -18.3672 -18.3672 -17.3498 -17.3498 -2.4797 -2.4797 -0.5357 -0.5357 -0.3903 -0.3903 -0.2765 -0.2765 -0.0578 -0.0578 0.3938 0.3938 0.8070 0.8070 0.9178 0.9178 1.0680 1.0680 9.5746 9.5746 10.6523 10.6523 10.9583 10.9583 12.8792 12.8792 13.1544 13.1544 k = 0.1316 0.5000 0.1316 ( 2394 PWs) bands (ev): -59.8772 -59.8772 -33.0047 -33.0047 -24.9814 -24.9814 -24.6190 -24.6190 -18.6115 -18.6115 -18.3963 -18.3963 -17.3536 -17.3536 -2.4802 -2.4802 -0.4933 -0.4933 -0.3472 -0.3472 -0.2413 -0.2413 0.0022 0.0022 0.4491 0.4491 0.7719 0.7719 0.9082 0.9082 1.0432 1.0432 9.5132 9.5132 10.6261 10.6261 10.9307 10.9307 12.8386 12.8386 13.0761 13.0761 k = 0.1228 0.5000 0.1228 ( 2394 PWs) bands (ev): -59.8772 -59.8772 -33.0033 -33.0033 -24.9774 -24.9774 -24.6049 -24.6049 -18.6326 -18.6326 -18.4235 -18.4235 -17.3571 -17.3571 -2.4808 -2.4808 -0.4527 -0.4527 -0.3046 -0.3046 -0.2063 -0.2063 0.0585 0.0585 0.5028 0.5028 0.7362 0.7362 0.9007 0.9007 1.0181 1.0181 9.4546 9.4546 10.6012 10.6012 10.9044 10.9044 12.8004 12.8004 13.0016 13.0016 k = 0.1140 0.5000 0.1140 ( 2386 PWs) bands (ev): -59.8773 -59.8773 -33.0020 -33.0020 -24.9737 -24.9737 -24.5915 -24.5915 -18.6530 -18.6530 -18.4486 -18.4486 -17.3603 -17.3603 -2.4813 -2.4813 -0.4135 -0.4135 -0.2629 -0.2629 -0.1717 -0.1717 0.1108 0.1108 0.5545 0.5545 0.7000 0.7000 0.8953 0.8953 0.9930 0.9930 9.3989 9.3989 10.5778 10.5778 10.8798 10.8798 12.7646 12.7646 12.9312 12.9312 k = 0.1053 0.5000 0.1053 ( 2394 PWs) bands (ev): -59.8773 -59.8773 -33.0007 -33.0007 -24.9701 -24.9701 -24.5788 -24.5788 -18.6728 -18.6728 -18.4718 -18.4718 -17.3633 -17.3633 -2.4818 -2.4818 -0.3755 -0.3755 -0.2228 -0.2228 -0.1376 -0.1376 0.1589 0.1589 0.6038 0.6038 0.6633 0.6633 0.8919 0.8919 0.9678 0.9678 9.3464 9.3464 10.5558 10.5558 10.8566 10.8566 12.7310 12.7310 12.8651 12.8651 k = 0.0965 0.5000 0.0965 ( 2394 PWs) bands (ev): -59.8774 -59.8774 -32.9995 -32.9995 -24.9668 -24.9668 -24.5668 -24.5668 -18.6918 -18.6918 -18.4929 -18.4929 -17.3660 -17.3660 -2.4823 -2.4823 -0.3387 -0.3387 -0.1844 -0.1844 -0.1042 -0.1042 0.2028 0.2028 0.6258 0.6258 0.6507 0.6507 0.8907 0.8907 0.9428 0.9428 9.2971 9.2971 10.5353 10.5353 10.8352 10.8352 12.6997 12.6997 12.8038 12.8038 k = 0.0877 0.5000 0.0877 ( 2382 PWs) bands (ev): -59.8774 -59.8774 -32.9984 -32.9984 -24.9637 -24.9637 -24.5557 -24.5557 -18.7097 -18.7097 -18.5121 -18.5121 -17.3685 -17.3685 -2.4827 -2.4827 -0.3028 -0.3028 -0.1480 -0.1480 -0.0717 -0.0717 0.2422 0.2422 0.5887 0.5887 0.6937 0.6937 0.8914 0.8914 0.9185 0.9185 9.2514 9.2514 10.5165 10.5165 10.8155 10.8155 12.6704 12.6704 12.7477 12.7477 k = 0.0789 0.5000 0.0789 ( 2386 PWs) bands (ev): -59.8775 -59.8775 -32.9975 -32.9975 -24.9609 -24.9609 -24.5455 -24.5455 -18.7264 -18.7264 -18.5293 -18.5293 -17.3707 -17.3707 -2.4831 -2.4831 -0.2683 -0.2683 -0.1136 -0.1136 -0.0403 -0.0403 0.2773 0.2773 0.5513 0.5513 0.7329 0.7329 0.8900 0.8900 0.8992 0.8992 9.2093 9.2093 10.4993 10.4993 10.7975 10.7975 12.6423 12.6423 12.6977 12.6977 k = 0.0702 0.5000 0.0702 ( 2388 PWs) bands (ev): -59.8775 -59.8775 -32.9966 -32.9966 -24.9584 -24.9584 -24.5363 -24.5363 -18.7419 -18.7419 -18.5445 -18.5445 -17.3726 -17.3726 -2.4834 -2.4834 -0.2353 -0.2353 -0.0811 -0.0811 -0.0103 -0.0103 0.3079 0.3079 0.5138 0.5138 0.7677 0.7677 0.8695 0.8695 0.9022 0.9022 9.1711 9.1711 10.4838 10.4838 10.7813 10.7813 12.6140 12.6140 12.6557 12.6557 k = 0.0614 0.5000 0.0614 ( 2388 PWs) bands (ev): -59.8776 -59.8776 -32.9958 -32.9958 -24.9561 -24.9561 -24.5280 -24.5280 -18.7559 -18.7559 -18.5579 -18.5579 -17.3744 -17.3744 -2.4838 -2.4838 -0.2042 -0.2042 -0.0503 -0.0503 0.0181 0.0181 0.3342 0.3342 0.4765 0.4765 0.7974 0.7974 0.8476 0.8476 0.9101 0.9101 9.1370 9.1370 10.4700 10.4700 10.7670 10.7670 12.5834 12.5834 12.6237 12.6237 k = 0.0526 0.5000 0.0526 ( 2388 PWs) bands (ev): -59.8776 -59.8776 -32.9951 -32.9951 -24.9541 -24.9541 -24.5207 -24.5207 -18.7683 -18.7683 -18.5693 -18.5693 -17.3758 -17.3758 -2.4840 -2.4840 -0.1756 -0.1756 -0.0210 -0.0210 0.0444 0.0444 0.3564 0.3564 0.4395 0.4395 0.8214 0.8214 0.8270 0.8270 0.9205 0.9205 9.1071 9.1071 10.4579 10.4579 10.7545 10.7545 12.5520 12.5520 12.6006 12.6006 k = 0.0439 0.5000 0.0439 ( 2396 PWs) bands (ev): -59.8776 -59.8776 -32.9945 -32.9945 -24.9524 -24.9524 -24.5145 -24.5145 -18.7790 -18.7790 -18.5790 -18.5790 -17.3771 -17.3771 -2.4843 -2.4843 -0.1502 -0.1502 0.0070 0.0070 0.0685 0.0685 0.3746 0.3746 0.4032 0.4032 0.8081 0.8081 0.8401 0.8401 0.9324 0.9324 9.0816 9.0816 10.4477 10.4477 10.7438 10.7438 12.5229 12.5229 12.5832 12.5832 k = 0.0351 0.5000 0.0351 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9940 -32.9940 -24.9510 -24.9510 -24.5094 -24.5094 -18.7879 -18.7879 -18.5869 -18.5869 -17.3781 -17.3781 -2.4844 -2.4844 -0.1285 -0.1285 0.0336 0.0336 0.0902 0.0902 0.3678 0.3678 0.3894 0.3894 0.7918 0.7918 0.8539 0.8539 0.9446 0.9446 9.0605 9.0605 10.4393 10.4393 10.7351 10.7351 12.4982 12.4982 12.5698 12.5698 k = 0.0263 0.5000 0.0263 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9936 -32.9936 -24.9499 -24.9499 -24.5054 -24.5054 -18.7949 -18.7949 -18.5929 -18.5929 -17.3789 -17.3789 -2.4846 -2.4846 -0.1112 -0.1112 0.0580 0.0580 0.1094 0.1094 0.3347 0.3347 0.4003 0.4003 0.7783 0.7783 0.8637 0.8637 0.9556 0.9556 9.0440 9.0440 10.4327 10.4327 10.7283 10.7283 12.4785 12.4785 12.5597 12.5597 k = 0.0175 0.5000 0.0175 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9933 -32.9933 -24.9491 -24.9491 -24.5025 -24.5025 -18.7999 -18.7999 -18.5973 -18.5973 -17.3795 -17.3795 -2.4847 -2.4847 -0.0986 -0.0986 0.0782 0.0782 0.1264 0.1264 0.3052 0.3052 0.4080 0.4080 0.7683 0.7683 0.8703 0.8703 0.9642 0.9642 9.0321 9.0321 10.4280 10.4280 10.7234 10.7234 12.4643 12.4643 12.5525 12.5525 k = 0.0088 0.5000 0.0088 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9932 -32.9932 -24.9486 -24.9486 -24.5008 -24.5008 -18.8030 -18.8030 -18.5999 -18.5999 -17.3798 -17.3798 -2.4848 -2.4848 -0.0910 -0.0910 0.0916 0.0916 0.1400 0.1400 0.2830 0.2830 0.4126 0.4126 0.7620 0.7620 0.8741 0.8741 0.9697 0.9697 9.0250 9.0250 10.4251 10.4251 10.7205 10.7205 12.4558 12.4558 12.5483 12.5483 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -59.8777 -59.8777 -32.9931 -32.9931 -24.9485 -24.9485 -24.5002 -24.5002 -18.8040 -18.8040 -18.6007 -18.6007 -17.3799 -17.3799 -2.4848 -2.4848 -0.0885 -0.0885 0.0962 0.0962 0.1459 0.1459 0.2742 0.2742 0.4141 0.4141 0.7599 0.7599 0.8753 0.8753 0.9716 0.9716 9.0226 9.0226 10.4242 10.4242 10.7195 10.7195 12.4529 12.4529 12.5469 12.5469 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -59.8761 -59.8761 -33.0293 -33.0293 -25.1438 -25.1438 -24.7229 -24.7229 -18.6952 -18.6952 -17.6807 -17.6807 -17.0752 -17.0752 -2.4773 -2.4773 -2.4632 -2.4632 -1.2399 -1.2399 0.1396 0.1396 0.1557 0.1557 0.3612 0.3612 0.5218 0.5218 0.5564 0.5564 1.5706 1.5706 10.5176 10.5176 10.7755 10.7755 11.7229 11.7229 13.5730 13.5730 15.0372 15.0372 k = 0.5000 0.5000 0.0122 ( 2408 PWs) bands (ev): -59.8761 -59.8761 -33.0294 -33.0294 -25.1438 -25.1438 -24.7236 -24.7236 -18.6936 -18.6936 -17.6805 -17.6805 -17.0751 -17.0751 -2.4773 -2.4773 -2.4632 -2.4632 -1.2398 -1.2398 0.1304 0.1304 0.1482 0.1482 0.3608 0.3608 0.5263 0.5263 0.5634 0.5634 1.5706 1.5706 10.5194 10.5194 10.7772 10.7772 11.7232 11.7232 13.5790 13.5790 15.0355 15.0355 k = 0.5000 0.5000 0.0244 ( 2404 PWs) bands (ev): -59.8761 -59.8761 -33.0296 -33.0296 -25.1437 -25.1437 -24.7257 -24.7257 -18.6887 -18.6887 -17.6796 -17.6796 -17.0751 -17.0751 -2.4773 -2.4773 -2.4631 -2.4631 -1.2395 -1.2395 0.1053 0.1053 0.1273 0.1273 0.3560 0.3560 0.5406 0.5406 0.5831 0.5831 1.5707 1.5707 10.5246 10.5246 10.7822 10.7822 11.7243 11.7243 13.5971 13.5971 15.0304 15.0304 k = 0.5000 0.5000 0.0366 ( 2388 PWs) bands (ev): -59.8760 -59.8760 -33.0298 -33.0298 -25.1437 -25.1437 -24.7291 -24.7291 -18.6808 -18.6808 -17.6782 -17.6782 -17.0751 -17.0751 -2.4772 -2.4772 -2.4630 -2.4630 -1.2391 -1.2391 0.0696 0.0696 0.0961 0.0961 0.3415 0.3415 0.5653 0.5653 0.6124 0.6124 1.5707 1.5707 10.5333 10.5333 10.7907 10.7907 11.7261 11.7261 13.6271 13.6271 15.0220 15.0220 k = 0.5000 0.5000 0.0488 ( 2396 PWs) bands (ev): -59.8760 -59.8760 -33.0302 -33.0302 -25.1436 -25.1436 -24.7338 -24.7338 -18.6697 -18.6697 -17.6762 -17.6762 -17.0750 -17.0750 -2.4771 -2.4771 -2.4628 -2.4628 -1.2385 -1.2385 0.0273 0.0273 0.0578 0.0578 0.3151 0.3151 0.5983 0.5983 0.6479 0.6479 1.5708 1.5708 10.5453 10.5453 10.8022 10.8022 11.7286 11.7286 13.6686 13.6686 15.0102 15.0102 k = 0.5000 0.5000 0.0610 ( 2396 PWs) bands (ev): -59.8760 -59.8760 -33.0306 -33.0306 -25.1434 -25.1434 -24.7399 -24.7399 -18.6557 -18.6557 -17.6736 -17.6736 -17.0750 -17.0750 -2.4770 -2.4770 -2.4626 -2.4626 -1.2378 -1.2378 -0.0190 -0.0190 0.0149 0.0149 0.2775 0.2775 0.6368 0.6368 0.6872 0.6872 1.5709 1.5709 10.5607 10.5607 10.8171 10.8171 11.7318 11.7318 13.7214 13.7214 14.9952 14.9952 k = 0.5000 0.5000 0.0732 ( 2404 PWs) bands (ev): -59.8760 -59.8760 -33.0312 -33.0312 -25.1433 -25.1433 -24.7472 -24.7472 -18.6388 -18.6388 -17.6703 -17.6703 -17.0749 -17.0749 -2.4769 -2.4769 -2.4623 -2.4623 -1.2369 -1.2369 -0.0676 -0.0676 -0.0310 -0.0310 0.2298 0.2298 0.6785 0.6785 0.7288 0.7288 1.5709 1.5709 10.5793 10.5793 10.8350 10.8350 11.7357 11.7357 13.7851 13.7851 14.9770 14.9770 k = 0.5000 0.5000 0.0854 ( 2404 PWs) bands (ev): -59.8759 -59.8759 -33.0318 -33.0318 -25.1431 -25.1431 -24.7557 -24.7557 -18.6192 -18.6192 -17.6663 -17.6663 -17.0748 -17.0748 -2.4767 -2.4767 -2.4620 -2.4620 -1.2358 -1.2358 -0.1177 -0.1177 -0.0789 -0.0789 0.1732 0.1732 0.7219 0.7219 0.7717 0.7717 1.5710 1.5710 10.6011 10.6011 10.8560 10.8560 11.7403 11.7403 13.8591 13.8591 14.9557 14.9557 k = 0.5000 0.5000 0.0976 ( 2396 PWs) bands (ev): -59.8759 -59.8759 -33.0325 -33.0325 -25.1429 -25.1429 -24.7653 -24.7653 -18.5970 -18.5970 -17.6616 -17.6616 -17.0747 -17.0747 -2.4765 -2.4765 -2.4616 -2.4616 -1.2346 -1.2346 -0.1686 -0.1686 -0.1279 -0.1279 0.1086 0.1086 0.7660 0.7660 0.8149 0.8149 1.5712 1.5712 10.6260 10.6260 10.8800 10.8800 11.7457 11.7457 13.9429 13.9429 14.9314 14.9314 k = 0.5000 0.5000 0.1098 ( 2404 PWs) bands (ev): -59.8759 -59.8759 -33.0334 -33.0334 -25.1427 -25.1427 -24.7760 -24.7760 -18.5726 -18.5726 -17.6561 -17.6561 -17.0746 -17.0746 -2.4763 -2.4763 -2.4612 -2.4612 -1.2332 -1.2332 -0.2201 -0.2201 -0.1776 -0.1776 0.0366 0.0366 0.8102 0.8102 0.8582 0.8582 1.5713 1.5713 10.6539 10.6539 10.9068 10.9068 11.7518 11.7518 14.0357 14.0357 14.9043 14.9043 k = 0.5000 0.5000 0.1220 ( 2408 PWs) bands (ev): -59.8758 -59.8758 -33.0342 -33.0342 -25.1425 -25.1425 -24.7875 -24.7875 -18.5462 -18.5462 -17.6497 -17.6497 -17.0744 -17.0744 -2.4761 -2.4761 -2.4607 -2.4607 -1.2317 -1.2317 -0.2719 -0.2719 -0.2275 -0.2275 -0.0418 -0.0418 0.8542 0.8542 0.9011 0.9011 1.5715 1.5715 10.6847 10.6847 10.9363 10.9363 11.7587 11.7587 14.1370 14.1370 14.8743 14.8743 k = 0.5000 0.5000 0.1341 ( 2392 PWs) bands (ev): -59.8758 -59.8758 -33.0352 -33.0352 -25.1422 -25.1422 -24.8000 -24.8000 -18.5180 -18.5180 -17.6423 -17.6423 -17.0743 -17.0743 -2.4759 -2.4759 -2.4602 -2.4602 -1.2301 -1.2301 -0.3239 -0.3239 -0.2774 -0.2774 -0.1256 -0.1256 0.8976 0.8976 0.9434 0.9434 1.5716 1.5716 10.7183 10.7183 10.9683 10.9683 11.7664 11.7664 14.2458 14.2458 14.8419 14.8419 k = 0.5000 0.5000 0.1463 ( 2384 PWs) bands (ev): -59.8757 -59.8757 -33.0362 -33.0362 -25.1419 -25.1419 -24.8132 -24.8132 -18.4882 -18.4882 -17.6339 -17.6339 -17.0741 -17.0741 -2.4756 -2.4756 -2.4596 -2.4596 -1.2284 -1.2284 -0.3763 -0.3763 -0.3271 -0.3271 -0.2138 -0.2138 0.9402 0.9402 0.9848 0.9848 1.5718 1.5718 10.7543 10.7543 11.0026 11.0026 11.7749 11.7749 14.3614 14.3614 14.8070 14.8070 k = 0.5000 0.5000 0.1585 ( 2384 PWs) bands (ev): -59.8756 -59.8756 -33.0373 -33.0373 -25.1416 -25.1416 -24.8270 -24.8270 -18.4574 -18.4574 -17.6244 -17.6244 -17.0739 -17.0739 -2.4754 -2.4754 -2.4591 -2.4591 -1.2265 -1.2265 -0.4301 -0.4301 -0.3763 -0.3763 -0.3048 -0.3048 0.9818 0.9818 1.0253 1.0253 1.5720 1.5720 10.7928 10.7928 11.0391 11.0391 11.7841 11.7841 14.4830 14.4830 14.7699 14.7699 k = 0.5000 0.5000 0.1707 ( 2384 PWs) bands (ev): -59.8756 -59.8756 -33.0385 -33.0385 -25.1413 -25.1413 -24.8415 -24.8415 -18.4256 -18.4256 -17.6136 -17.6136 -17.0737 -17.0737 -2.4751 -2.4751 -2.4585 -2.4585 -1.2246 -1.2246 -0.4881 -0.4881 -0.4249 -0.4249 -0.3947 -0.3947 1.0223 1.0223 1.0646 1.0646 1.5722 1.5722 10.8336 10.8336 11.0774 11.0774 11.7943 11.7943 14.6095 14.6095 14.7307 14.7307 k = 0.5000 0.5000 0.1829 ( 2384 PWs) bands (ev): -59.8755 -59.8755 -33.0397 -33.0397 -25.1410 -25.1410 -24.8564 -24.8564 -18.3934 -18.3934 -17.6014 -17.6014 -17.0736 -17.0736 -2.4748 -2.4748 -2.4579 -2.4579 -1.2226 -1.2226 -0.5578 -0.5578 -0.4752 -0.4752 -0.4727 -0.4727 1.0616 1.0616 1.1028 1.1028 1.5724 1.5724 10.8763 10.8763 11.1174 11.1174 11.8053 11.8053 14.6898 14.6898 14.7400 14.7400 k = 0.5000 0.5000 0.1951 ( 2384 PWs) bands (ev): -59.8755 -59.8755 -33.0410 -33.0410 -25.1406 -25.1406 -24.8717 -24.8717 -18.3611 -18.3611 -17.5877 -17.5877 -17.0734 -17.0734 -2.4745 -2.4745 -2.4572 -2.4572 -1.2206 -1.2206 -0.6454 -0.6454 -0.5394 -0.5394 -0.5196 -0.5196 1.0996 1.0996 1.1396 1.1396 1.5727 1.5727 10.9210 10.9210 11.1588 11.1588 11.8172 11.8172 14.6473 14.6473 14.8734 14.8734 k = 0.5000 0.5000 0.2073 ( 2384 PWs) bands (ev): -59.8754 -59.8754 -33.0422 -33.0422 -25.1403 -25.1403 -24.8872 -24.8872 -18.3291 -18.3291 -17.5724 -17.5724 -17.0732 -17.0732 -2.4742 -2.4742 -2.4566 -2.4566 -1.2184 -1.2184 -0.7446 -0.7446 -0.5927 -0.5927 -0.5655 -0.5655 1.1363 1.1363 1.1752 1.1752 1.5729 1.5729 10.9671 10.9671 11.2012 11.2012 11.8300 11.8300 14.6035 14.6035 15.0084 15.0084 k = 0.5000 0.5000 0.2195 ( 2384 PWs) bands (ev): -59.8754 -59.8754 -33.0435 -33.0435 -25.1399 -25.1399 -24.9029 -24.9029 -18.2976 -18.2976 -17.5554 -17.5554 -17.0730 -17.0730 -2.4738 -2.4738 -2.4559 -2.4559 -1.2163 -1.2163 -0.8488 -0.8488 -0.6411 -0.6411 -0.6102 -0.6102 1.1715 1.1715 1.2093 1.2093 1.5731 1.5731 11.0146 11.0146 11.2444 11.2444 11.8439 11.8439 14.5586 14.5586 15.1434 15.1434 k = 0.5000 0.5000 0.2317 ( 2384 PWs) bands (ev): -59.8753 -59.8753 -33.0449 -33.0449 -25.1396 -25.1396 -24.9187 -24.9187 -18.2671 -18.2671 -17.5366 -17.5366 -17.0728 -17.0728 -2.4735 -2.4735 -2.4552 -2.4552 -1.2141 -1.2141 -0.9551 -0.9551 -0.6865 -0.6865 -0.6537 -0.6537 1.2053 1.2053 1.2420 1.2420 1.5734 1.5734 11.0633 11.0633 11.2880 11.2880 11.8587 11.8587 14.5129 14.5129 15.2769 15.2769 k = 0.5000 0.5000 0.2439 ( 2392 PWs) bands (ev): -59.8753 -59.8753 -33.0462 -33.0462 -25.1392 -25.1392 -24.9345 -24.9345 -18.2379 -18.2379 -17.5161 -17.5161 -17.0726 -17.0726 -2.4732 -2.4732 -2.4545 -2.4545 -1.2119 -1.2119 -1.0622 -1.0622 -0.7299 -0.7299 -0.6958 -0.6958 1.2376 1.2376 1.2732 1.2732 1.5737 1.5737 11.1128 11.1128 11.3317 11.3317 11.8747 11.8747 14.4665 14.4665 15.4065 15.4065 k = 0.5000 0.5000 0.2561 ( 2392 PWs) bands (ev): -59.8752 -59.8752 -33.0476 -33.0476 -25.1389 -25.1389 -24.9502 -24.9502 -18.2101 -18.2101 -17.4938 -17.4938 -17.0724 -17.0724 -2.4729 -2.4729 -2.4538 -2.4538 -1.2097 -1.2097 -1.1690 -1.1690 -0.7714 -0.7714 -0.7365 -0.7365 1.2683 1.2683 1.3030 1.3030 1.5739 1.5739 11.1628 11.1628 11.3750 11.3750 11.8919 11.8919 14.4199 14.4199 15.5302 15.5302 k = 0.5000 0.5000 0.2683 ( 2388 PWs) bands (ev): -59.8751 -59.8751 -33.0489 -33.0489 -25.1385 -25.1385 -24.9656 -24.9656 -18.1841 -18.1841 -17.4697 -17.4697 -17.0722 -17.0722 -2.4725 -2.4725 -2.4532 -2.4532 -1.2749 -1.2749 -1.2075 -1.2075 -0.8111 -0.8111 -0.7757 -0.7757 1.2976 1.2976 1.3313 1.3313 1.5742 1.5742 11.2131 11.2131 11.4176 11.4176 11.9102 11.9102 14.3733 14.3733 15.6461 15.6461 k = 0.5000 0.5000 0.2805 ( 2388 PWs) bands (ev): -59.8751 -59.8751 -33.0503 -33.0503 -25.1381 -25.1381 -24.9808 -24.9808 -18.1600 -18.1600 -17.4442 -17.4442 -17.0720 -17.0720 -2.4722 -2.4722 -2.4525 -2.4525 -1.3791 -1.3791 -1.2054 -1.2054 -0.8491 -0.8491 -0.8133 -0.8133 1.3253 1.3253 1.3580 1.3580 1.5745 1.5745 11.2634 11.2634 11.4592 11.4592 11.9298 11.9298 14.3268 14.3268 15.7538 15.7538 k = 0.5000 0.5000 0.2927 ( 2380 PWs) bands (ev): -59.8750 -59.8750 -33.0516 -33.0516 -25.1378 -25.1378 -24.9956 -24.9956 -18.1378 -18.1378 -17.4172 -17.4172 -17.0718 -17.0718 -2.4719 -2.4719 -2.4518 -2.4518 -1.4811 -1.4811 -1.2033 -1.2033 -0.8853 -0.8853 -0.8492 -0.8492 1.3514 1.3514 1.3832 1.3832 1.5749 1.5749 11.3133 11.3133 11.4993 11.4993 11.9506 11.9506 14.2809 14.2809 15.8543 15.8543 k = 0.5000 0.5000 0.3049 ( 2380 PWs) bands (ev): -59.8749 -59.8749 -33.0529 -33.0529 -25.1374 -25.1374 -25.0099 -25.0099 -18.1176 -18.1176 -17.3892 -17.3892 -17.0716 -17.0716 -2.4716 -2.4716 -2.4512 -2.4512 -1.5803 -1.5803 -1.2013 -1.2013 -0.9197 -0.9197 -0.8834 -0.8834 1.3759 1.3759 1.4069 1.4069 1.5752 1.5752 11.3626 11.3626 11.5375 11.5375 11.9726 11.9726 14.2357 14.2357 15.9497 15.9497 k = 0.5000 0.5000 0.3171 ( 2388 PWs) bands (ev): -59.8749 -59.8749 -33.0541 -33.0541 -25.1371 -25.1371 -25.0238 -25.0238 -18.0993 -18.0993 -17.3604 -17.3604 -17.0714 -17.0714 -2.4713 -2.4713 -2.4506 -2.4506 -1.6763 -1.6763 -1.1993 -1.1993 -0.9523 -0.9523 -0.9158 -0.9158 1.3988 1.3988 1.4291 1.4291 1.5755 1.5755 11.4108 11.4108 11.5737 11.5737 11.9957 11.9957 14.1915 14.1915 16.0420 16.0420 k = 0.5000 0.5000 0.3293 ( 2384 PWs) bands (ev): -59.8748 -59.8748 -33.0553 -33.0553 -25.1368 -25.1368 -25.0370 -25.0370 -18.0829 -18.0829 -17.3312 -17.3312 -17.0712 -17.0712 -2.4710 -2.4710 -2.4500 -2.4500 -1.7685 -1.7685 -1.1975 -1.1975 -0.9829 -0.9829 -0.9463 -0.9463 1.4202 1.4202 1.4498 1.4498 1.5759 1.5759 11.4578 11.4578 11.6075 11.6075 12.0197 12.0197 14.1486 14.1486 16.1330 16.1330 k = 0.5000 0.5000 0.3415 ( 2384 PWs) bands (ev): -59.8748 -59.8748 -33.0565 -33.0565 -25.1365 -25.1365 -25.0496 -25.0496 -18.0683 -18.0683 -17.3019 -17.3019 -17.0710 -17.0710 -2.4707 -2.4707 -2.4495 -2.4495 -1.8564 -1.8564 -1.1958 -1.1958 -1.0117 -1.0117 -0.9749 -0.9749 1.4400 1.4400 1.4690 1.4690 1.5763 1.5763 11.5032 11.5032 11.6388 11.6388 12.0445 12.0445 14.1072 14.1072 16.2237 16.2237 k = 0.5000 0.5000 0.3537 ( 2388 PWs) bands (ev): -59.8747 -59.8747 -33.0576 -33.0576 -25.1362 -25.1362 -25.0615 -25.0615 -18.0554 -18.0554 -17.2730 -17.2730 -17.0709 -17.0709 -2.4704 -2.4704 -2.4490 -2.4490 -1.9396 -1.9396 -1.1943 -1.1943 -1.0385 -1.0385 -1.0014 -1.0014 1.4581 1.4581 1.4866 1.4866 1.5768 1.5768 11.5467 11.5467 11.6676 11.6676 12.0697 12.0697 14.0675 14.0675 16.3149 16.3149 k = 0.5000 0.5000 0.3659 ( 2388 PWs) bands (ev): -59.8747 -59.8747 -33.0586 -33.0586 -25.1359 -25.1359 -25.0727 -25.0727 -18.0440 -18.0440 -17.2448 -17.2448 -17.0707 -17.0707 -2.4702 -2.4702 -2.4485 -2.4485 -2.0178 -2.0178 -1.1930 -1.1930 -1.0633 -1.0633 -1.0259 -1.0259 1.4747 1.4747 1.5028 1.5028 1.5773 1.5773 11.5879 11.5879 11.6938 11.6938 12.0949 12.0949 14.0299 14.0299 16.4067 16.4067 k = 0.5000 0.5000 0.3780 ( 2380 PWs) bands (ev): -59.8746 -59.8746 -33.0596 -33.0596 -25.1356 -25.1356 -25.0830 -25.0830 -18.0340 -18.0340 -17.2176 -17.2176 -17.0705 -17.0705 -2.4700 -2.4700 -2.4482 -2.4482 -2.0904 -2.0904 -1.1919 -1.1919 -1.0861 -1.0861 -1.0482 -1.0482 1.4897 1.4897 1.5175 1.5175 1.5778 1.5778 11.6267 11.6267 11.7174 11.7174 12.1198 12.1198 13.9946 13.9946 16.4993 16.4993 k = 0.5000 0.5000 0.3902 ( 2380 PWs) bands (ev): -59.8746 -59.8746 -33.0605 -33.0605 -25.1354 -25.1354 -25.0925 -25.0925 -18.0253 -18.0253 -17.1919 -17.1919 -17.0704 -17.0704 -2.4697 -2.4697 -2.4479 -2.4479 -2.1572 -2.1572 -1.1911 -1.1911 -1.1068 -1.1068 -1.0683 -1.0683 1.5031 1.5031 1.5308 1.5308 1.5785 1.5785 11.6627 11.6627 11.7385 11.7385 12.1439 12.1439 13.9618 13.9618 16.5923 16.5923 k = 0.5000 0.5000 0.4024 ( 2380 PWs) bands (ev): -59.8745 -59.8745 -33.0613 -33.0613 -25.1352 -25.1352 -25.1011 -25.1011 -18.0179 -18.0179 -17.1680 -17.1680 -17.0703 -17.0703 -2.4696 -2.4696 -2.4478 -2.4478 -2.2178 -2.2178 -1.1906 -1.1906 -1.1254 -1.1254 -1.0862 -1.0862 1.5148 1.5148 1.5427 1.5427 1.5792 1.5792 11.6956 11.6956 11.7572 11.7572 12.1668 12.1668 13.9317 13.9317 16.6852 16.6852 k = 0.5000 0.5000 0.4146 ( 2380 PWs) bands (ev): -59.8745 -59.8745 -33.0621 -33.0621 -25.1350 -25.1350 -25.1087 -25.1087 -18.0115 -18.0115 -17.1461 -17.1461 -17.0702 -17.0702 -2.4694 -2.4694 -2.4478 -2.4478 -2.2718 -2.2718 -1.1905 -1.1905 -1.1418 -1.1418 -1.1017 -1.1017 1.5249 1.5249 1.5531 1.5531 1.5801 1.5801 11.7252 11.7252 11.7735 11.7735 12.1880 12.1880 13.9045 13.9045 16.7773 16.7773 k = 0.5000 0.5000 0.4268 ( 2388 PWs) bands (ev): -59.8745 -59.8745 -33.0627 -33.0627 -25.1348 -25.1348 -25.1154 -25.1154 -18.0061 -18.0061 -17.1266 -17.1266 -17.0701 -17.0701 -2.4693 -2.4693 -2.4482 -2.4482 -2.3188 -2.3188 -1.1907 -1.1907 -1.1562 -1.1562 -1.1147 -1.1147 1.5334 1.5334 1.5620 1.5620 1.5812 1.5812 11.7514 11.7514 11.7875 11.7875 12.2072 12.2072 13.8805 13.8805 16.8674 16.8674 k = 0.5000 0.5000 0.4390 ( 2388 PWs) bands (ev): -59.8744 -59.8744 -33.0633 -33.0633 -25.1347 -25.1347 -25.1212 -25.1212 -18.0017 -18.0017 -17.1097 -17.1097 -17.0700 -17.0700 -2.4691 -2.4691 -2.4490 -2.4490 -2.3585 -2.3585 -1.1914 -1.1914 -1.1683 -1.1683 -1.1253 -1.1253 1.5402 1.5402 1.5696 1.5696 1.5824 1.5824 11.7739 11.7739 11.7993 11.7993 12.2240 12.2240 13.8599 13.8599 16.9537 16.9537 k = 0.5000 0.5000 0.4512 ( 2388 PWs) bands (ev): -59.8744 -59.8744 -33.0637 -33.0637 -25.1345 -25.1345 -25.1259 -25.1259 -17.9982 -17.9982 -17.0956 -17.0956 -17.0699 -17.0699 -2.4690 -2.4690 -2.4508 -2.4508 -2.3901 -2.3901 -1.1925 -1.1925 -1.1783 -1.1783 -1.1336 -1.1336 1.5455 1.5455 1.5758 1.5758 1.5836 1.5836 11.7925 11.7925 11.8090 11.8090 12.2382 12.2382 13.8427 13.8427 17.0340 17.0340 k = 0.5000 0.5000 0.4634 ( 2388 PWs) bands (ev): -59.8744 -59.8744 -33.0641 -33.0641 -25.1344 -25.1344 -25.1295 -25.1295 -17.9955 -17.9955 -17.0844 -17.0844 -17.0699 -17.0699 -2.4689 -2.4689 -2.4545 -2.4545 -2.4126 -2.4126 -1.1938 -1.1938 -1.1861 -1.1861 -1.1395 -1.1395 1.5494 1.5494 1.5806 1.5806 1.5848 1.5848 11.8071 11.8071 11.8165 11.8165 12.2495 12.2495 13.8292 13.8292 17.1049 17.1049 k = 0.5000 0.5000 0.4756 ( 2388 PWs) bands (ev): -59.8744 -59.8744 -33.0643 -33.0643 -25.1344 -25.1344 -25.1322 -25.1322 -17.9936 -17.9936 -17.0763 -17.0763 -17.0698 -17.0698 -2.4689 -2.4689 -2.4605 -2.4605 -2.4253 -2.4253 -1.1949 -1.1949 -1.1917 -1.1917 -1.1435 -1.1435 1.5520 1.5520 1.5840 1.5840 1.5859 1.5859 11.8176 11.8176 11.8218 11.8218 12.2577 12.2577 13.8195 13.8195 17.1622 17.1622 k = 0.5000 0.5000 0.4878 ( 2404 PWs) bands (ev): -59.8744 -59.8744 -33.0645 -33.0645 -25.1344 -25.1344 -25.1338 -25.1338 -17.9925 -17.9925 -17.0715 -17.0715 -17.0698 -17.0698 -2.4689 -2.4689 -2.4665 -2.4665 -2.4307 -2.4307 -1.1959 -1.1959 -1.1950 -1.1950 -1.1458 -1.1458 1.5535 1.5535 1.5861 1.5861 1.5865 1.5865 11.8239 11.8239 11.8249 11.8249 12.2626 12.2626 13.8136 13.8136 17.2001 17.2001 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -59.8745 -59.8745 -33.0646 -33.0646 -25.1344 -25.1344 -25.1344 -25.1344 -17.9922 -17.9922 -17.0699 -17.0699 -17.0699 -17.0699 -2.4690 -2.4690 -2.4690 -2.4690 -2.4322 -2.4322 -1.1962 -1.1962 -1.1962 -1.1962 -1.1466 -1.1466 1.5540 1.5540 1.5868 1.5868 1.5868 1.5868 11.8259 11.8259 11.8259 11.8259 12.2642 12.2642 13.8116 13.8116 17.2136 17.2136 Writing output data file TaF3.save init_run : 0.16s CPU 0.36s WALL ( 1 calls) electrons : 59.11s CPU 60.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 59.10s CPU 60.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 313 calls) cegterg : 54.44s CPU 55.49s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 25.19s CPU 25.98s WALL ( 6321 calls) s_psi : 1.15s CPU 1.13s WALL ( 6321 calls) g_psi : 0.10s CPU 0.09s WALL ( 5638 calls) cdiaghg : 25.80s CPU 26.08s WALL ( 5951 calls) cegterg:over : 2.03s CPU 2.15s WALL ( 5638 calls) cegterg:upda : 1.48s CPU 1.45s WALL ( 5638 calls) cegterg:last : 1.00s CPU 1.02s WALL ( 996 calls) cdiaghg:chol : 1.37s CPU 1.35s WALL ( 5951 calls) cdiaghg:inve : 0.64s CPU 0.65s WALL ( 5951 calls) cdiaghg:para : 1.50s CPU 1.58s WALL ( 11902 calls) Called by h_psi: h_psi:vloc : 22.43s CPU 23.01s WALL ( 6321 calls) h_psi:vnl : 2.68s CPU 2.90s WALL ( 6321 calls) add_vuspsi : 1.29s CPU 1.42s WALL ( 6321 calls) General routines calbec : 1.36s CPU 1.46s WALL ( 6321 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.85s CPU 21.34s WALL ( 497048 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.12s WALL ( 626 calls) Parallel routines fft_scatter : 10.23s CPU 10.47s WALL ( 497071 calls) PWSCF : 1m 9.27s CPU 1m19.68s WALL This run was terminated on: 17:50:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=