Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:21:23 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: ./YIn3.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 43 27 8 1271 633 106 Max 44 28 9 1274 648 111 Sum 1549 973 293 45769 23031 3887 bravais-lattice index = 14 lattice parameter (alat) = 8.6757 a.u. unit-cell volume = 653.0078 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.675732 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf 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 1241 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Y 11.00 88.90590 Y( 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= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0037175 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0037175 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0037175 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0037175 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0037175 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0037175 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0037175 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0037175 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0037175 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0037175 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0037175 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0037175 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0037175 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0037175 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0037175 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0037175 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0037175 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0037175 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0037175 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0037175 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0037175 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0037175 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0037175 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0037175 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0037175 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0037175 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0037175 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0037175 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0037175 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0037175 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0037175 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0037175 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0037175 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0037175 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0037175 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0037175 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0037175 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0037175 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0037175 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0037175 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0037175 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0037175 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0037175 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0037175 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0037175 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0037175 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0037175 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0037175 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0037175 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0037175 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0037175 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0037175 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0037175 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0037175 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0037175 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0037175 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0037175 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0037175 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0037175 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0037175 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0037175 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0037175 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0037175 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0037175 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0037175 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0037175 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0037175 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0037175 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0037175 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0037175 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0037175 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0037175 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0037175 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0037175 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0037175 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0037175 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0037175 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0037175 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0037175 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0037175 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0037175 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0037175 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0037175 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0037175 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0037175 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0037175 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0037175 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0037175 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0037175 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0037175 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0037175 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0037175 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0037175 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0037175 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0037175 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0037175 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0037175 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0037175 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0037175 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0037175 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0037175 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0037175 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0037175 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0037175 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0037175 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0037175 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0037175 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0037175 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0037175 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0037175 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0037175 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0037175 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0037175 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 124) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0037175 k( 125) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0037175 k( 126) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0037175 k( 127) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0037175 k( 128) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037175 k( 129) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0037175 k( 130) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0037175 k( 131) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0037175 k( 132) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0037175 k( 133) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037175 k( 134) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0037175 k( 135) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0037175 k( 136) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0037175 k( 137) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0037175 k( 138) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037175 k( 139) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0037175 k( 140) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0037175 k( 141) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0037175 k( 142) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0037175 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037175 k( 144) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0037175 k( 145) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0037175 k( 146) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0037175 k( 147) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0037175 k( 148) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037175 k( 149) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0037175 k( 150) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0037175 k( 151) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0037175 k( 152) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0037175 k( 153) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 154) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0037175 k( 155) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0037175 k( 156) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0037175 k( 157) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0037175 k( 158) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037175 k( 159) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0037175 k( 160) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0037175 k( 161) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0037175 k( 162) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0037175 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037175 k( 164) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0037175 k( 165) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0037175 k( 166) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0037175 k( 167) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0037175 k( 168) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037175 k( 169) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0037175 k( 170) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0037175 k( 171) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0037175 k( 172) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0037175 k( 173) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037175 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0037175 k( 175) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0037175 k( 176) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0037175 k( 177) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0037175 k( 178) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037175 k( 179) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0037175 k( 180) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0037175 k( 181) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0037175 k( 182) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0037175 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 185) = ( 0.4897959 0.5000000 0.4897959), wk = 0.0037175 k( 186) = ( 0.4795918 0.5000000 0.4795918), wk = 0.0037175 k( 187) = ( 0.4693878 0.5000000 0.4693878), wk = 0.0037175 k( 188) = ( 0.4591837 0.5000000 0.4591837), wk = 0.0037175 k( 189) = ( 0.4489796 0.5000000 0.4489796), wk = 0.0037175 k( 190) = ( 0.4387755 0.5000000 0.4387755), wk = 0.0037175 k( 191) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0037175 k( 192) = ( 0.4183674 0.5000000 0.4183673), wk = 0.0037175 k( 193) = ( 0.4081633 0.5000000 0.4081633), wk = 0.0037175 k( 194) = ( 0.3979592 0.5000000 0.3979592), wk = 0.0037175 k( 195) = ( 0.3877551 0.5000000 0.3877551), wk = 0.0037175 k( 196) = ( 0.3775510 0.5000000 0.3775510), wk = 0.0037175 k( 197) = ( 0.3673469 0.5000000 0.3673469), wk = 0.0037175 k( 198) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0037175 k( 199) = ( 0.3469388 0.5000000 0.3469388), wk = 0.0037175 k( 200) = ( 0.3367347 0.5000000 0.3367347), wk = 0.0037175 k( 201) = ( 0.3265306 0.5000000 0.3265306), wk = 0.0037175 k( 202) = ( 0.3163265 0.5000000 0.3163265), wk = 0.0037175 k( 203) = ( 0.3061224 0.5000000 0.3061224), wk = 0.0037175 k( 204) = ( 0.2959184 0.5000000 0.2959184), wk = 0.0037175 k( 205) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0037175 k( 206) = ( 0.2755102 0.5000000 0.2755102), wk = 0.0037175 k( 207) = ( 0.2653061 0.5000000 0.2653061), wk = 0.0037175 k( 208) = ( 0.2551020 0.5000000 0.2551020), wk = 0.0037175 k( 209) = ( 0.2448980 0.5000000 0.2448980), wk = 0.0037175 k( 210) = ( 0.2346939 0.5000000 0.2346939), wk = 0.0037175 k( 211) = ( 0.2244898 0.5000000 0.2244898), wk = 0.0037175 k( 212) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0037175 k( 213) = ( 0.2040816 0.5000000 0.2040816), wk = 0.0037175 k( 214) = ( 0.1938776 0.5000000 0.1938775), wk = 0.0037175 k( 215) = ( 0.1836735 0.5000000 0.1836735), wk = 0.0037175 k( 216) = ( 0.1734694 0.5000000 0.1734694), wk = 0.0037175 k( 217) = ( 0.1632653 0.5000000 0.1632653), wk = 0.0037175 k( 218) = ( 0.1530612 0.5000000 0.1530612), wk = 0.0037175 k( 219) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0037175 k( 220) = ( 0.1326531 0.5000000 0.1326531), wk = 0.0037175 k( 221) = ( 0.1224490 0.5000000 0.1224490), wk = 0.0037175 k( 222) = ( 0.1122449 0.5000000 0.1122449), wk = 0.0037175 k( 223) = ( 0.1020408 0.5000000 0.1020408), wk = 0.0037175 k( 224) = ( 0.0918367 0.5000000 0.0918367), wk = 0.0037175 k( 225) = ( 0.0816327 0.5000000 0.0816326), wk = 0.0037175 k( 226) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0037175 k( 227) = ( 0.0612245 0.5000000 0.0612245), wk = 0.0037175 k( 228) = ( 0.0510204 0.5000000 0.0510204), wk = 0.0037175 k( 229) = ( 0.0408163 0.5000000 0.0408163), wk = 0.0037175 k( 230) = ( 0.0306122 0.5000000 0.0306122), wk = 0.0037175 k( 231) = ( 0.0204082 0.5000000 0.0204082), wk = 0.0037175 k( 232) = ( 0.0102041 0.5000000 0.0102041), wk = 0.0037175 k( 233) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0037175 k( 259) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0037175 k( 260) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0037175 k( 261) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0037175 k( 262) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0037175 k( 263) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0037175 k( 264) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0037175 k( 265) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0037175 k( 266) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0037175 k( 267) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0037175 k( 268) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0037175 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0037175 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0037175 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0037175 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0037175 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0037175 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0037175 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0037175 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0037175 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0037175 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0037175 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0037175 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0037175 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0037175 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0037175 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0037175 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0037175 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0037175 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0037175 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0037175 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0037175 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0037175 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0037175 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0037175 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0037175 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0037175 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0037175 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0037175 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0037175 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0037175 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0037175 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0037175 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0037175 k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0037175 k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0037175 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0037175 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0037175 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0037175 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0037175 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0037175 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0037175 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0037175 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0037175 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0037175 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0037175 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0037175 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0037175 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0037175 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0037175 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0037175 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0037175 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0037175 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0037175 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0037175 k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0037175 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0037175 k( 61) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0037175 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0037175 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0037175 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0037175 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0037175 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0037175 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0037175 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0037175 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0037175 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0037175 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0037175 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 74) = ( 0.4897959 0.4897959 0.0000000), wk = 0.0037175 k( 75) = ( 0.4795918 0.4795918 0.0000000), wk = 0.0037175 k( 76) = ( 0.4693878 0.4693878 0.0000000), wk = 0.0037175 k( 77) = ( 0.4591837 0.4591837 0.0000000), wk = 0.0037175 k( 78) = ( 0.4489796 0.4489796 0.0000000), wk = 0.0037175 k( 79) = ( 0.4387755 0.4387755 0.0000000), wk = 0.0037175 k( 80) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0037175 k( 81) = ( 0.4183674 0.4183674 0.0000000), wk = 0.0037175 k( 82) = ( 0.4081633 0.4081633 0.0000000), wk = 0.0037175 k( 83) = ( 0.3979592 0.3979592 0.0000000), wk = 0.0037175 k( 84) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0037175 k( 85) = ( 0.3775510 0.3775510 0.0000000), wk = 0.0037175 k( 86) = ( 0.3673469 0.3673469 0.0000000), wk = 0.0037175 k( 87) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0037175 k( 88) = ( 0.3469388 0.3469388 0.0000000), wk = 0.0037175 k( 89) = ( 0.3367347 0.3367347 0.0000000), wk = 0.0037175 k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0037175 k( 91) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0037175 k( 92) = ( 0.3061224 0.3061224 0.0000000), wk = 0.0037175 k( 93) = ( 0.2959184 0.2959184 0.0000000), wk = 0.0037175 k( 94) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0037175 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0037175 k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0037175 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0037175 k( 98) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0037175 k( 99) = ( 0.2346939 0.2346939 0.0000000), wk = 0.0037175 k( 100) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0037175 k( 101) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0037175 k( 102) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0037175 k( 103) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0037175 k( 104) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0037175 k( 105) = ( 0.1734694 0.1734694 0.0000000), wk = 0.0037175 k( 106) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0037175 k( 107) = ( 0.1530612 0.1530612 0.0000000), wk = 0.0037175 k( 108) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0037175 k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0037175 k( 110) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0037175 k( 111) = ( 0.1122449 0.1122449 0.0000000), wk = 0.0037175 k( 112) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0037175 k( 113) = ( 0.0918367 0.0918367 0.0000000), wk = 0.0037175 k( 114) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0037175 k( 115) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0037175 k( 116) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0037175 k( 117) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0037175 k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0037175 k( 119) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0037175 k( 120) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0037175 k( 121) = ( 0.0102041 0.0102041 0.0000000), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 124) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0037175 k( 125) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0037175 k( 126) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0037175 k( 127) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0037175 k( 128) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037175 k( 129) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0037175 k( 130) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0037175 k( 131) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0037175 k( 132) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0037175 k( 133) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037175 k( 134) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0037175 k( 135) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0037175 k( 136) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0037175 k( 137) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0037175 k( 138) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037175 k( 139) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0037175 k( 140) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0037175 k( 141) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0037175 k( 142) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0037175 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037175 k( 144) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0037175 k( 145) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0037175 k( 146) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0037175 k( 147) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0037175 k( 148) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037175 k( 149) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0037175 k( 150) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0037175 k( 151) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0037175 k( 152) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0037175 k( 153) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 154) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0037175 k( 155) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0037175 k( 156) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0037175 k( 157) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0037175 k( 158) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037175 k( 159) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0037175 k( 160) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0037175 k( 161) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0037175 k( 162) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0037175 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037175 k( 164) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0037175 k( 165) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0037175 k( 166) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0037175 k( 167) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0037175 k( 168) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037175 k( 169) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0037175 k( 170) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0037175 k( 171) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0037175 k( 172) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0037175 k( 173) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037175 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0037175 k( 175) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0037175 k( 176) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0037175 k( 177) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0037175 k( 178) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037175 k( 179) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0037175 k( 180) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0037175 k( 181) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0037175 k( 182) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0037175 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 185) = ( 0.4897959 0.5000000 0.4897959), wk = 0.0037175 k( 186) = ( 0.4795918 0.5000000 0.4795918), wk = 0.0037175 k( 187) = ( 0.4693878 0.5000000 0.4693878), wk = 0.0037175 k( 188) = ( 0.4591837 0.5000000 0.4591837), wk = 0.0037175 k( 189) = ( 0.4489796 0.5000000 0.4489796), wk = 0.0037175 k( 190) = ( 0.4387755 0.5000000 0.4387755), wk = 0.0037175 k( 191) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0037175 k( 192) = ( 0.4183674 0.5000000 0.4183674), wk = 0.0037175 k( 193) = ( 0.4081633 0.5000000 0.4081633), wk = 0.0037175 k( 194) = ( 0.3979592 0.5000000 0.3979592), wk = 0.0037175 k( 195) = ( 0.3877551 0.5000000 0.3877551), wk = 0.0037175 k( 196) = ( 0.3775510 0.5000000 0.3775510), wk = 0.0037175 k( 197) = ( 0.3673469 0.5000000 0.3673469), wk = 0.0037175 k( 198) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0037175 k( 199) = ( 0.3469388 0.5000000 0.3469388), wk = 0.0037175 k( 200) = ( 0.3367347 0.5000000 0.3367347), wk = 0.0037175 k( 201) = ( 0.3265306 0.5000000 0.3265306), wk = 0.0037175 k( 202) = ( 0.3163265 0.5000000 0.3163265), wk = 0.0037175 k( 203) = ( 0.3061224 0.5000000 0.3061224), wk = 0.0037175 k( 204) = ( 0.2959184 0.5000000 0.2959184), wk = 0.0037175 k( 205) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0037175 k( 206) = ( 0.2755102 0.5000000 0.2755102), wk = 0.0037175 k( 207) = ( 0.2653061 0.5000000 0.2653061), wk = 0.0037175 k( 208) = ( 0.2551020 0.5000000 0.2551020), wk = 0.0037175 k( 209) = ( 0.2448980 0.5000000 0.2448980), wk = 0.0037175 k( 210) = ( 0.2346939 0.5000000 0.2346939), wk = 0.0037175 k( 211) = ( 0.2244898 0.5000000 0.2244898), wk = 0.0037175 k( 212) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0037175 k( 213) = ( 0.2040816 0.5000000 0.2040816), wk = 0.0037175 k( 214) = ( 0.1938776 0.5000000 0.1938776), wk = 0.0037175 k( 215) = ( 0.1836735 0.5000000 0.1836735), wk = 0.0037175 k( 216) = ( 0.1734694 0.5000000 0.1734694), wk = 0.0037175 k( 217) = ( 0.1632653 0.5000000 0.1632653), wk = 0.0037175 k( 218) = ( 0.1530612 0.5000000 0.1530612), wk = 0.0037175 k( 219) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0037175 k( 220) = ( 0.1326531 0.5000000 0.1326531), wk = 0.0037175 k( 221) = ( 0.1224490 0.5000000 0.1224490), wk = 0.0037175 k( 222) = ( 0.1122449 0.5000000 0.1122449), wk = 0.0037175 k( 223) = ( 0.1020408 0.5000000 0.1020408), wk = 0.0037175 k( 224) = ( 0.0918367 0.5000000 0.0918367), wk = 0.0037175 k( 225) = ( 0.0816327 0.5000000 0.0816327), wk = 0.0037175 k( 226) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0037175 k( 227) = ( 0.0612245 0.5000000 0.0612245), wk = 0.0037175 k( 228) = ( 0.0510204 0.5000000 0.0510204), wk = 0.0037175 k( 229) = ( 0.0408163 0.5000000 0.0408163), wk = 0.0037175 k( 230) = ( 0.0306122 0.5000000 0.0306122), wk = 0.0037175 k( 231) = ( 0.0204082 0.5000000 0.0204082), wk = 0.0037175 k( 232) = ( 0.0102041 0.5000000 0.0102041), wk = 0.0037175 k( 233) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0037175 k( 259) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0037175 k( 260) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0037175 k( 261) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0037175 k( 262) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0037175 k( 263) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0037175 k( 264) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0037175 k( 265) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0037175 k( 266) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0037175 k( 267) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0037175 k( 268) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0037175 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 Dense grid: 45769 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 23031 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 170, 60) NL pseudopotentials 0.18 Mb ( 85, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1273) G-vector shells 0.00 Mb ( 302) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 170, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.25 Mb ( 136, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YIn3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.2 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.7 secs Computing kpt #: 15 total cpu time spent up to now is 8.0 secs Computing kpt #: 16 total cpu time spent up to now is 8.5 secs Computing kpt #: 17 total cpu time spent up to now is 8.8 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.9 secs Computing kpt #: 21 total cpu time spent up to now is 10.3 secs Computing kpt #: 22 total cpu time spent up to now is 10.6 secs Computing kpt #: 23 total cpu time spent up to now is 11.0 secs Computing kpt #: 24 total cpu time spent up to now is 11.4 secs Computing kpt #: 25 total cpu time spent up to now is 11.8 secs Computing kpt #: 26 total cpu time spent up to now is 12.2 secs Computing kpt #: 27 total cpu time spent up to now is 12.6 secs Computing kpt #: 28 total cpu time spent up to now is 12.9 secs Computing kpt #: 29 total cpu time spent up to now is 13.3 secs Computing kpt #: 30 total cpu time spent up to now is 13.7 secs Computing kpt #: 31 total cpu time spent up to now is 14.1 secs Computing kpt #: 32 total cpu time spent up to now is 14.4 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.1 secs Computing kpt #: 35 total cpu time spent up to now is 15.4 secs Computing kpt #: 36 total cpu time spent up to now is 15.8 secs Computing kpt #: 37 total cpu time spent up to now is 16.1 secs Computing kpt #: 38 total cpu time spent up to now is 16.4 secs Computing kpt #: 39 total cpu time spent up to now is 16.8 secs Computing kpt #: 40 total cpu time spent up to now is 17.1 secs Computing kpt #: 41 total cpu time spent up to now is 17.5 secs Computing kpt #: 42 total cpu time spent up to now is 17.8 secs Computing kpt #: 43 total cpu time spent up to now is 18.1 secs Computing kpt #: 44 total cpu time spent up to now is 18.5 secs Computing kpt #: 45 total cpu time spent up to now is 18.8 secs Computing kpt #: 46 total cpu time spent up to now is 19.2 secs Computing kpt #: 47 total cpu time spent up to now is 19.5 secs Computing kpt #: 48 total cpu time spent up to now is 19.9 secs Computing kpt #: 49 total cpu time spent up to now is 20.3 secs Computing kpt #: 50 total cpu time spent up to now is 20.7 secs Computing kpt #: 51 total cpu time spent up to now is 21.1 secs Computing kpt #: 52 total cpu time spent up to now is 21.4 secs Computing kpt #: 53 total cpu time spent up to now is 21.7 secs Computing kpt #: 54 total cpu time spent up to now is 22.1 secs Computing kpt #: 55 total cpu time spent up to now is 22.4 secs Computing kpt #: 56 total cpu time spent up to now is 22.7 secs Computing kpt #: 57 total cpu time spent up to now is 23.0 secs Computing kpt #: 58 total cpu time spent up to now is 23.3 secs Computing kpt #: 59 total cpu time spent up to now is 23.6 secs Computing kpt #: 60 total cpu time spent up to now is 24.0 secs Computing kpt #: 61 total cpu time spent up to now is 24.3 secs Computing kpt #: 62 total cpu time spent up to now is 24.6 secs Computing kpt #: 63 total cpu time spent up to now is 24.9 secs Computing kpt #: 64 total cpu time spent up to now is 25.3 secs Computing kpt #: 65 total cpu time spent up to now is 25.6 secs Computing kpt #: 66 total cpu time spent up to now is 26.0 secs Computing kpt #: 67 total cpu time spent up to now is 26.3 secs Computing kpt #: 68 total cpu time spent up to now is 26.7 secs Computing kpt #: 69 total cpu time spent up to now is 27.1 secs Computing kpt #: 70 total cpu time spent up to now is 27.4 secs Computing kpt #: 71 total cpu time spent up to now is 27.8 secs Computing kpt #: 72 total cpu time spent up to now is 28.2 secs Computing kpt #: 73 total cpu time spent up to now is 28.6 secs Computing kpt #: 74 total cpu time spent up to now is 28.9 secs Computing kpt #: 75 total cpu time spent up to now is 29.3 secs Computing kpt #: 76 total cpu time spent up to now is 29.7 secs Computing kpt #: 77 total cpu time spent up to now is 30.2 secs Computing kpt #: 78 total cpu time spent up to now is 30.6 secs Computing kpt #: 79 total cpu time spent up to now is 31.0 secs Computing kpt #: 80 total cpu time spent up to now is 31.5 secs Computing kpt #: 81 total cpu time spent up to now is 31.9 secs Computing kpt #: 82 total cpu time spent up to now is 32.4 secs Computing kpt #: 83 total cpu time spent up to now is 32.8 secs Computing kpt #: 84 total cpu time spent up to now is 33.2 secs Computing kpt #: 85 total cpu time spent up to now is 33.7 secs Computing kpt #: 86 total cpu time spent up to now is 34.1 secs Computing kpt #: 87 total cpu time spent up to now is 34.6 secs Computing kpt #: 88 total cpu time spent up to now is 35.0 secs Computing kpt #: 89 total cpu time spent up to now is 35.4 secs Computing kpt #: 90 total cpu time spent up to now is 35.9 secs Computing kpt #: 91 total cpu time spent up to now is 36.3 secs Computing kpt #: 92 total cpu time spent up to now is 36.8 secs Computing kpt #: 93 total cpu time spent up to now is 37.2 secs Computing kpt #: 94 total cpu time spent up to now is 37.6 secs Computing kpt #: 95 total cpu time spent up to now is 38.1 secs Computing kpt #: 96 total cpu time spent up to now is 38.5 secs Computing kpt #: 97 total cpu time spent up to now is 38.9 secs Computing kpt #: 98 total cpu time spent up to now is 39.2 secs Computing kpt #: 99 total cpu time spent up to now is 39.6 secs Computing kpt #: 100 total cpu time spent up to now is 40.0 secs Computing kpt #: 101 total cpu time spent up to now is 40.4 secs Computing kpt #: 102 total cpu time spent up to now is 40.7 secs Computing kpt #: 103 total cpu time spent up to now is 41.1 secs Computing kpt #: 104 total cpu time spent up to now is 41.4 secs Computing kpt #: 105 total cpu time spent up to now is 41.7 secs Computing kpt #: 106 total cpu time spent up to now is 42.1 secs Computing kpt #: 107 total cpu time spent up to now is 42.4 secs Computing kpt #: 108 total cpu time spent up to now is 42.8 secs Computing kpt #: 109 total cpu time spent up to now is 43.2 secs Computing kpt #: 110 total cpu time spent up to now is 43.5 secs Computing kpt #: 111 total cpu time spent up to now is 43.9 secs Computing kpt #: 112 total cpu time spent up to now is 44.3 secs Computing kpt #: 113 total cpu time spent up to now is 44.7 secs Computing kpt #: 114 total cpu time spent up to now is 45.1 secs Computing kpt #: 115 total cpu time spent up to now is 45.6 secs Computing kpt #: 116 total cpu time spent up to now is 46.0 secs Computing kpt #: 117 total cpu time spent up to now is 46.4 secs Computing kpt #: 118 total cpu time spent up to now is 46.9 secs Computing kpt #: 119 total cpu time spent up to now is 47.3 secs Computing kpt #: 120 total cpu time spent up to now is 47.7 secs Computing kpt #: 121 total cpu time spent up to now is 48.3 secs Computing kpt #: 122 total cpu time spent up to now is 48.8 secs Computing kpt #: 123 total cpu time spent up to now is 49.2 secs Computing kpt #: 124 total cpu time spent up to now is 49.8 secs Computing kpt #: 125 total cpu time spent up to now is 50.3 secs Computing kpt #: 126 total cpu time spent up to now is 50.7 secs Computing kpt #: 127 total cpu time spent up to now is 51.2 secs Computing kpt #: 128 total cpu time spent up to now is 51.6 secs Computing kpt #: 129 total cpu time spent up to now is 52.0 secs Computing kpt #: 130 total cpu time spent up to now is 52.5 secs Computing kpt #: 131 total cpu time spent up to now is 52.9 secs Computing kpt #: 132 total cpu time spent up to now is 53.3 secs Computing kpt #: 133 total cpu time spent up to now is 53.7 secs Computing kpt #: 134 total cpu time spent up to now is 54.0 secs Computing kpt #: 135 total cpu time spent up to now is 54.3 secs Computing kpt #: 136 total cpu time spent up to now is 54.7 secs Computing kpt #: 137 total cpu time spent up to now is 55.0 secs Computing kpt #: 138 total cpu time spent up to now is 55.4 secs Computing kpt #: 139 total cpu time spent up to now is 55.7 secs Computing kpt #: 140 total cpu time spent up to now is 56.0 secs Computing kpt #: 141 total cpu time spent up to now is 56.3 secs Computing kpt #: 142 total cpu time spent up to now is 56.7 secs Computing kpt #: 143 total cpu time spent up to now is 57.0 secs Computing kpt #: 144 total cpu time spent up to now is 57.4 secs Computing kpt #: 145 total cpu time spent up to now is 57.8 secs Computing kpt #: 146 total cpu time spent up to now is 58.3 secs Computing kpt #: 147 total cpu time spent up to now is 58.7 secs Computing kpt #: 148 total cpu time spent up to now is 59.1 secs Computing kpt #: 149 total cpu time spent up to now is 59.6 secs Computing kpt #: 150 total cpu time spent up to now is 60.0 secs Computing kpt #: 151 total cpu time spent up to now is 60.4 secs Computing kpt #: 152 total cpu time spent up to now is 60.8 secs Computing kpt #: 153 total cpu time spent up to now is 61.2 secs Computing kpt #: 154 total cpu time spent up to now is 61.6 secs Computing kpt #: 155 total cpu time spent up to now is 62.0 secs Computing kpt #: 156 total cpu time spent up to now is 62.4 secs Computing kpt #: 157 total cpu time spent up to now is 62.8 secs Computing kpt #: 158 total cpu time spent up to now is 63.2 secs Computing kpt #: 159 total cpu time spent up to now is 63.6 secs Computing kpt #: 160 total cpu time spent up to now is 64.1 secs Computing kpt #: 161 total cpu time spent up to now is 64.5 secs Computing kpt #: 162 total cpu time spent up to now is 64.9 secs Computing kpt #: 163 total cpu time spent up to now is 65.3 secs Computing kpt #: 164 total cpu time spent up to now is 65.8 secs Computing kpt #: 165 total cpu time spent up to now is 66.2 secs Computing kpt #: 166 total cpu time spent up to now is 66.6 secs Computing kpt #: 167 total cpu time spent up to now is 67.1 secs Computing kpt #: 168 total cpu time spent up to now is 67.5 secs Computing kpt #: 169 total cpu time spent up to now is 67.9 secs Computing kpt #: 170 total cpu time spent up to now is 68.3 secs Computing kpt #: 171 total cpu time spent up to now is 68.7 secs Computing kpt #: 172 total cpu time spent up to now is 69.2 secs Computing kpt #: 173 total cpu time spent up to now is 69.6 secs Computing kpt #: 174 total cpu time spent up to now is 70.0 secs Computing kpt #: 175 total cpu time spent up to now is 70.4 secs Computing kpt #: 176 total cpu time spent up to now is 70.7 secs Computing kpt #: 177 total cpu time spent up to now is 71.2 secs Computing kpt #: 178 total cpu time spent up to now is 71.6 secs Computing kpt #: 179 total cpu time spent up to now is 72.1 secs Computing kpt #: 180 total cpu time spent up to now is 72.7 secs Computing kpt #: 181 total cpu time spent up to now is 73.4 secs Computing kpt #: 182 total cpu time spent up to now is 73.7 secs Computing kpt #: 183 total cpu time spent up to now is 74.1 secs Computing kpt #: 184 total cpu time spent up to now is 74.4 secs Computing kpt #: 185 total cpu time spent up to now is 75.1 secs Computing kpt #: 186 total cpu time spent up to now is 75.7 secs Computing kpt #: 187 total cpu time spent up to now is 76.4 secs Computing kpt #: 188 total cpu time spent up to now is 76.8 secs Computing kpt #: 189 total cpu time spent up to now is 77.3 secs Computing kpt #: 190 total cpu time spent up to now is 77.7 secs Computing kpt #: 191 total cpu time spent up to now is 78.1 secs Computing kpt #: 192 total cpu time spent up to now is 78.5 secs Computing kpt #: 193 total cpu time spent up to now is 78.9 secs Computing kpt #: 194 total cpu time spent up to now is 79.2 secs Computing kpt #: 195 total cpu time spent up to now is 79.6 secs Computing kpt #: 196 total cpu time spent up to now is 80.0 secs Computing kpt #: 197 total cpu time spent up to now is 80.3 secs Computing kpt #: 198 total cpu time spent up to now is 80.6 secs Computing kpt #: 199 total cpu time spent up to now is 81.0 secs Computing kpt #: 200 total cpu time spent up to now is 81.3 secs Computing kpt #: 201 total cpu time spent up to now is 81.7 secs Computing kpt #: 202 total cpu time spent up to now is 82.0 secs Computing kpt #: 203 total cpu time spent up to now is 82.3 secs Computing kpt #: 204 total cpu time spent up to now is 82.7 secs Computing kpt #: 205 total cpu time spent up to now is 83.0 secs Computing kpt #: 206 total cpu time spent up to now is 83.3 secs Computing kpt #: 207 total cpu time spent up to now is 83.6 secs Computing kpt #: 208 total cpu time spent up to now is 83.9 secs Computing kpt #: 209 total cpu time spent up to now is 84.2 secs Computing kpt #: 210 total cpu time spent up to now is 84.5 secs Computing kpt #: 211 total cpu time spent up to now is 84.9 secs Computing kpt #: 212 total cpu time spent up to now is 85.2 secs Computing kpt #: 213 total cpu time spent up to now is 85.5 secs Computing kpt #: 214 total cpu time spent up to now is 85.8 secs Computing kpt #: 215 total cpu time spent up to now is 86.1 secs Computing kpt #: 216 total cpu time spent up to now is 86.4 secs Computing kpt #: 217 total cpu time spent up to now is 86.7 secs Computing kpt #: 218 total cpu time spent up to now is 87.0 secs Computing kpt #: 219 total cpu time spent up to now is 87.3 secs Computing kpt #: 220 total cpu time spent up to now is 87.6 secs Computing kpt #: 221 total cpu time spent up to now is 87.9 secs Computing kpt #: 222 total cpu time spent up to now is 88.3 secs Computing kpt #: 223 total cpu time spent up to now is 88.6 secs Computing kpt #: 224 total cpu time spent up to now is 88.9 secs Computing kpt #: 225 total cpu time spent up to now is 89.3 secs Computing kpt #: 226 total cpu time spent up to now is 89.6 secs Computing kpt #: 227 total cpu time spent up to now is 90.0 secs Computing kpt #: 228 total cpu time spent up to now is 90.3 secs Computing kpt #: 229 total cpu time spent up to now is 90.7 secs Computing kpt #: 230 total cpu time spent up to now is 91.0 secs Computing kpt #: 231 total cpu time spent up to now is 91.4 secs Computing kpt #: 232 total cpu time spent up to now is 91.7 secs Computing kpt #: 233 total cpu time spent up to now is 92.0 secs Computing kpt #: 234 total cpu time spent up to now is 92.4 secs Computing kpt #: 235 total cpu time spent up to now is 92.7 secs Computing kpt #: 236 total cpu time spent up to now is 93.1 secs Computing kpt #: 237 total cpu time spent up to now is 93.5 secs Computing kpt #: 238 total cpu time spent up to now is 93.9 secs Computing kpt #: 239 total cpu time spent up to now is 94.2 secs Computing kpt #: 240 total cpu time spent up to now is 94.6 secs Computing kpt #: 241 total cpu time spent up to now is 95.0 secs Computing kpt #: 242 total cpu time spent up to now is 95.4 secs Computing kpt #: 243 total cpu time spent up to now is 95.8 secs Computing kpt #: 244 total cpu time spent up to now is 96.2 secs Computing kpt #: 245 total cpu time spent up to now is 96.6 secs Computing kpt #: 246 total cpu time spent up to now is 97.0 secs Computing kpt #: 247 total cpu time spent up to now is 97.4 secs Computing kpt #: 248 total cpu time spent up to now is 97.8 secs Computing kpt #: 249 total cpu time spent up to now is 98.1 secs Computing kpt #: 250 total cpu time spent up to now is 98.5 secs Computing kpt #: 251 total cpu time spent up to now is 98.9 secs Computing kpt #: 252 total cpu time spent up to now is 99.2 secs Computing kpt #: 253 total cpu time spent up to now is 99.7 secs Computing kpt #: 254 total cpu time spent up to now is 100.0 secs Computing kpt #: 255 total cpu time spent up to now is 100.5 secs Computing kpt #: 256 total cpu time spent up to now is 100.9 secs Computing kpt #: 257 total cpu time spent up to now is 101.3 secs Computing kpt #: 258 total cpu time spent up to now is 101.8 secs Computing kpt #: 259 total cpu time spent up to now is 102.2 secs Computing kpt #: 260 total cpu time spent up to now is 102.6 secs Computing kpt #: 261 total cpu time spent up to now is 103.1 secs Computing kpt #: 262 total cpu time spent up to now is 104.0 secs Computing kpt #: 263 total cpu time spent up to now is 104.8 secs Computing kpt #: 264 total cpu time spent up to now is 105.7 secs Computing kpt #: 265 total cpu time spent up to now is 106.5 secs Computing kpt #: 266 total cpu time spent up to now is 107.1 secs Computing kpt #: 267 total cpu time spent up to now is 107.5 secs Computing kpt #: 268 total cpu time spent up to now is 107.8 secs Computing kpt #: 269 total cpu time spent up to now is 108.2 secs ethr = 2.00E-08, avg # of iterations = 20.5 total cpu time spent up to now is 108.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -30.6730 -30.6730 -11.6980 -11.6980 -10.2685 -10.2685 -10.2685 -10.2685 -3.0663 -3.0663 -3.0663 -3.0663 -3.0550 -3.0550 -3.0173 -3.0173 -2.9799 -2.9799 -2.9799 -2.9799 -2.2322 -2.2322 -2.2322 -2.2322 -2.2111 -2.2111 -2.1158 -2.1158 -2.1158 -2.1158 -2.0726 -2.0726 -1.9532 -1.9532 -1.8715 -1.8715 -1.8715 -1.8715 2.6833 2.6833 9.2067 9.2067 9.2067 9.2067 10.4096 10.4096 10.4096 10.4096 10.5208 10.5208 14.0954 14.0954 14.0954 14.0954 14.1327 14.1327 14.8645 14.8645 15.7012 15.7012 k = 0.0000 0.0143-0.0000 ( 2937 PWs) bands (ev): -30.6730 -30.6730 -11.6981 -11.6981 -10.2686 -10.2686 -10.2685 -10.2685 -3.0662 -3.0662 -3.0661 -3.0661 -3.0549 -3.0549 -3.0172 -3.0172 -2.9798 -2.9798 -2.9798 -2.9798 -2.2322 -2.2322 -2.2321 -2.2321 -2.2111 -2.2111 -2.1158 -2.1158 -2.1158 -2.1158 -2.0727 -2.0727 -1.9533 -1.9533 -1.8718 -1.8718 -1.8716 -1.8716 2.6849 2.6849 9.1887 9.1887 9.2080 9.2080 10.4099 10.4099 10.4198 10.4198 10.5264 10.5264 14.0904 14.0904 14.0942 14.0942 14.1302 14.1302 14.8702 14.8702 15.6148 15.6148 k = 0.0000 0.0286-0.0000 ( 2929 PWs) bands (ev): -30.6729 -30.6729 -11.6981 -11.6981 -10.2688 -10.2688 -10.2685 -10.2685 -3.0661 -3.0661 -3.0657 -3.0657 -3.0545 -3.0545 -3.0169 -3.0169 -2.9796 -2.9796 -2.9796 -2.9796 -2.2320 -2.2320 -2.2317 -2.2317 -2.2109 -2.2109 -2.1158 -2.1158 -2.1158 -2.1158 -2.0731 -2.0731 -1.9536 -1.9536 -1.8725 -1.8725 -1.8720 -1.8720 2.6899 2.6899 9.1374 9.1374 9.2118 9.2118 10.4109 10.4109 10.4435 10.4435 10.5478 10.5478 14.0756 14.0756 14.0892 14.0892 14.1242 14.1242 14.8872 14.8872 15.4627 15.4627 k = 0.0000 0.0429-0.0000 ( 2921 PWs) bands (ev): -30.6729 -30.6729 -11.6983 -11.6983 -10.2691 -10.2691 -10.2686 -10.2686 -3.0658 -3.0658 -3.0649 -3.0649 -3.0539 -3.0539 -3.0163 -3.0163 -2.9794 -2.9794 -2.9793 -2.9793 -2.2318 -2.2318 -2.2312 -2.2312 -2.2108 -2.2108 -2.1159 -2.1159 -2.1158 -2.1158 -2.0736 -2.0736 -1.9540 -1.9540 -1.8737 -1.8737 -1.8726 -1.8726 2.6983 2.6983 9.0587 9.0587 9.2181 9.2181 10.4124 10.4124 10.4650 10.4650 10.5945 10.5945 14.0518 14.0518 14.0774 14.0774 14.1183 14.1183 14.9150 14.9150 15.2980 15.2980 k = 0.0000 0.0571-0.0000 ( 2921 PWs) bands (ev): -30.6729 -30.6729 -11.6984 -11.6984 -10.2695 -10.2695 -10.2686 -10.2686 -3.0655 -3.0655 -3.0639 -3.0639 -3.0531 -3.0531 -3.0156 -3.0156 -2.9790 -2.9790 -2.9789 -2.9789 -2.2315 -2.2315 -2.2304 -2.2304 -2.2105 -2.2105 -2.1160 -2.1160 -2.1159 -2.1159 -2.0743 -2.0743 -1.9547 -1.9547 -1.8755 -1.8755 -1.8734 -1.8734 2.7099 2.7099 8.9595 8.9595 9.2270 9.2270 10.4146 10.4146 10.4787 10.4787 10.6656 10.6656 14.0204 14.0204 14.0572 14.0572 14.1150 14.1150 14.9527 14.9527 15.1297 15.1297 k = 0.0000 0.0714-0.0000 ( 2921 PWs) bands (ev): -30.6729 -30.6729 -11.6986 -11.6986 -10.2701 -10.2701 -10.2687 -10.2687 -3.0650 -3.0650 -3.0626 -3.0626 -3.0519 -3.0519 -3.0146 -3.0146 -2.9786 -2.9786 -2.9784 -2.9784 -2.2311 -2.2311 -2.2293 -2.2293 -2.2102 -2.2102 -2.1161 -2.1161 -2.1159 -2.1159 -2.0752 -2.0752 -1.9556 -1.9556 -1.8777 -1.8777 -1.8744 -1.8744 2.7249 2.7249 8.8454 8.8454 9.2384 9.2384 10.4173 10.4173 10.4884 10.4884 10.7518 10.7518 13.9829 13.9829 14.0302 14.0302 14.1138 14.1138 14.9604 14.9604 14.9993 14.9993 k = 0.0000 0.0857-0.0000 ( 2913 PWs) bands (ev): -30.6728 -30.6728 -11.6989 -11.6989 -10.2708 -10.2708 -10.2688 -10.2688 -3.0646 -3.0646 -3.0610 -3.0610 -3.0505 -3.0505 -3.0135 -3.0135 -2.9781 -2.9781 -2.9778 -2.9778 -2.2306 -2.2306 -2.2281 -2.2281 -2.2098 -2.2098 -2.1163 -2.1163 -2.1160 -2.1160 -2.0763 -2.0763 -1.9566 -1.9566 -1.8803 -1.8803 -1.8757 -1.8757 2.7432 2.7432 8.7206 8.7206 9.2524 9.2524 10.4205 10.4205 10.4968 10.4968 10.8465 10.8465 13.9406 13.9406 13.9985 13.9985 14.1137 14.1137 14.7914 14.7914 15.0528 15.0528 k = 0.0000 0.1000-0.0000 ( 2905 PWs) bands (ev): -30.6728 -30.6728 -11.6992 -11.6992 -10.2716 -10.2716 -10.2688 -10.2688 -3.0641 -3.0641 -3.0591 -3.0591 -3.0489 -3.0489 -3.0122 -3.0122 -2.9774 -2.9774 -2.9771 -2.9771 -2.2301 -2.2301 -2.2266 -2.2266 -2.2093 -2.2093 -2.1166 -2.1166 -2.1160 -2.1160 -2.0776 -2.0776 -1.9579 -1.9579 -1.8834 -1.8834 -1.8771 -1.8771 2.7648 2.7648 8.5883 8.5883 9.2689 9.2689 10.4241 10.4241 10.5049 10.5049 10.9458 10.9458 13.8952 13.8952 13.9638 13.9638 14.1142 14.1142 14.6232 14.6232 15.1110 15.1110 k = 0.0000 0.1143-0.0000 ( 2905 PWs) bands (ev): -30.6728 -30.6728 -11.6995 -11.6995 -10.2725 -10.2725 -10.2689 -10.2689 -3.0635 -3.0635 -3.0570 -3.0570 -3.0470 -3.0470 -3.0107 -3.0107 -2.9767 -2.9767 -2.9763 -2.9763 -2.2294 -2.2294 -2.2250 -2.2250 -2.2087 -2.2087 -2.1168 -2.1168 -2.1161 -2.1161 -2.0791 -2.0791 -1.9593 -1.9593 -1.8870 -1.8870 -1.8788 -1.8788 2.7897 2.7897 8.4504 8.4504 9.2880 9.2880 10.4281 10.4281 10.5133 10.5133 11.0475 11.0475 13.8478 13.8478 13.9273 13.9273 14.1151 14.1151 14.4564 14.4564 15.1712 15.1712 k = 0.0000 0.1286-0.0000 ( 2901 PWs) bands (ev): -30.6727 -30.6727 -11.6999 -11.6999 -10.2734 -10.2734 -10.2690 -10.2690 -3.0629 -3.0629 -3.0546 -3.0546 -3.0448 -3.0448 -3.0090 -3.0090 -2.9760 -2.9760 -2.9754 -2.9754 -2.2288 -2.2288 -2.2232 -2.2232 -2.2080 -2.2080 -2.1172 -2.1172 -2.1162 -2.1162 -2.0807 -2.0807 -1.9609 -1.9609 -1.8909 -1.8909 -1.8806 -1.8806 2.8178 2.8178 8.3087 8.3087 9.3097 9.3097 10.4324 10.4324 10.5220 10.5220 11.1502 11.1502 13.7996 13.7996 13.8902 13.8902 14.1158 14.1158 14.2915 14.2915 15.2302 15.2302 k = 0.0000 0.1429-0.0000 ( 2901 PWs) bands (ev): -30.6727 -30.6727 -11.7003 -11.7003 -10.2745 -10.2745 -10.2691 -10.2691 -3.0623 -3.0623 -3.0520 -3.0520 -3.0424 -3.0424 -3.0072 -3.0072 -2.9751 -2.9751 -2.9744 -2.9744 -2.2281 -2.2281 -2.2212 -2.2212 -2.2072 -2.2072 -2.1176 -2.1176 -2.1163 -2.1163 -2.0824 -2.0824 -1.9626 -1.9626 -1.8953 -1.8953 -1.8825 -1.8825 2.8493 2.8493 8.1641 8.1641 9.3339 9.3339 10.4368 10.4368 10.5311 10.5311 11.2533 11.2533 13.7516 13.7516 13.8533 13.8533 14.1080 14.1080 14.1372 14.1372 15.2854 15.2854 k = 0.0000 0.1571-0.0000 ( 2893 PWs) bands (ev): -30.6727 -30.6727 -11.7008 -11.7008 -10.2757 -10.2757 -10.2693 -10.2693 -3.0617 -3.0617 -3.0492 -3.0492 -3.0397 -3.0397 -3.0052 -3.0052 -2.9742 -2.9742 -2.9734 -2.9734 -2.2273 -2.2273 -2.2191 -2.2191 -2.2063 -2.2063 -2.1181 -2.1181 -2.1164 -2.1164 -2.0842 -2.0842 -1.9646 -1.9646 -1.9000 -1.9000 -1.8846 -1.8846 2.8840 2.8840 8.0176 8.0176 9.3607 9.3607 10.4415 10.4415 10.5406 10.5406 11.3563 11.3563 13.7045 13.7045 13.8173 13.8173 13.9637 13.9637 14.1214 14.1214 15.3349 15.3349 k = 0.0000 0.1714-0.0000 ( 2894 PWs) bands (ev): -30.6726 -30.6726 -11.7013 -11.7013 -10.2769 -10.2769 -10.2694 -10.2694 -3.0611 -3.0611 -3.0461 -3.0461 -3.0369 -3.0369 -3.0032 -3.0032 -2.9732 -2.9732 -2.9723 -2.9723 -2.2265 -2.2265 -2.2169 -2.2169 -2.2051 -2.2051 -2.1187 -2.1187 -2.1165 -2.1165 -2.0861 -2.0861 -1.9667 -1.9667 -1.9050 -1.9050 -1.8868 -1.8868 2.9219 2.9219 7.8700 7.8700 9.3901 9.3901 10.4461 10.4461 10.5503 10.5503 11.4590 11.4590 13.6590 13.6590 13.7829 13.7829 13.8047 13.8047 14.1226 14.1226 15.3779 15.3779 k = 0.0000 0.1857-0.0000 ( 2894 PWs) bands (ev): -30.6726 -30.6726 -11.7018 -11.7018 -10.2782 -10.2782 -10.2695 -10.2695 -3.0604 -3.0604 -3.0429 -3.0429 -3.0339 -3.0339 -3.0010 -3.0010 -2.9722 -2.9722 -2.9712 -2.9712 -2.2257 -2.2257 -2.2148 -2.2148 -2.2038 -2.2038 -2.1193 -2.1193 -2.1165 -2.1165 -2.0881 -2.0881 -1.9689 -1.9689 -1.9104 -1.9104 -1.8891 -1.8891 2.9630 2.9630 7.7217 7.7217 9.4221 9.4221 10.4507 10.4507 10.5603 10.5603 11.5615 11.5615 13.6156 13.6156 13.6474 13.6474 13.7507 13.7507 14.1244 14.1244 15.4148 15.4148 k = 0.0000 0.2000-0.0000 ( 2886 PWs) bands (ev): -30.6725 -30.6725 -11.7023 -11.7023 -10.2795 -10.2795 -10.2697 -10.2697 -3.0598 -3.0598 -3.0395 -3.0395 -3.0307 -3.0307 -2.9988 -2.9988 -2.9712 -2.9712 -2.9700 -2.9700 -2.2249 -2.2249 -2.2127 -2.2127 -2.2020 -2.2020 -2.1200 -2.1200 -2.1166 -2.1166 -2.0901 -2.0901 -1.9713 -1.9713 -1.9160 -1.9160 -1.8915 -1.8915 3.0073 3.0073 7.5731 7.5731 9.4567 9.4567 10.4552 10.4552 10.5703 10.5703 11.6637 11.6637 13.4923 13.4923 13.5747 13.5747 13.7209 13.7209 14.1264 14.1264 15.4463 15.4463 k = 0.0000 0.2143-0.0000 ( 2890 PWs) bands (ev): -30.6725 -30.6725 -11.7028 -11.7028 -10.2809 -10.2809 -10.2698 -10.2698 -3.0591 -3.0591 -3.0360 -3.0360 -3.0273 -3.0273 -2.9965 -2.9965 -2.9701 -2.9701 -2.9689 -2.9689 -2.2242 -2.2242 -2.2108 -2.2108 -2.1999 -2.1999 -2.1209 -2.1209 -2.1167 -2.1167 -2.0921 -2.0921 -1.9739 -1.9739 -1.9219 -1.9219 -1.8939 -1.8939 3.0548 3.0548 7.4249 7.4249 9.4939 9.4939 10.4595 10.4595 10.5802 10.5802 11.7658 11.7658 13.3396 13.3396 13.5368 13.5368 13.6940 13.6940 14.1285 14.1285 15.4732 15.4732 k = 0.0000 0.2286-0.0000 ( 2886 PWs) bands (ev): -30.6724 -30.6724 -11.7033 -11.7033 -10.2822 -10.2822 -10.2700 -10.2700 -3.0584 -3.0584 -3.0324 -3.0324 -3.0238 -3.0238 -2.9941 -2.9941 -2.9690 -2.9690 -2.9677 -2.9677 -2.2234 -2.2234 -2.2091 -2.2091 -2.1973 -2.1973 -2.1218 -2.1218 -2.1168 -2.1168 -2.0941 -2.0941 -1.9766 -1.9766 -1.9279 -1.9279 -1.8963 -1.8963 3.1054 3.1054 7.2771 7.2771 9.5338 9.5338 10.4635 10.4635 10.5900 10.5900 11.8680 11.8680 13.1894 13.1894 13.5020 13.5020 13.6702 13.6702 14.1307 14.1307 15.4965 15.4965 k = 0.0000 0.2429-0.0000 ( 2898 PWs) bands (ev): -30.6724 -30.6724 -11.7039 -11.7039 -10.2836 -10.2836 -10.2701 -10.2701 -3.0578 -3.0578 -3.0286 -3.0286 -3.0203 -3.0203 -2.9918 -2.9918 -2.9679 -2.9679 -2.9665 -2.9665 -2.2227 -2.2227 -2.2076 -2.2076 -2.1944 -2.1944 -2.1228 -2.1228 -2.1169 -2.1169 -2.0961 -2.0961 -1.9794 -1.9794 -1.9342 -1.9342 -1.8988 -1.8988 3.1591 3.1591 7.1302 7.1302 9.5763 9.5763 10.4672 10.4672 10.5996 10.5996 11.9705 11.9705 13.0417 13.0417 13.4706 13.4706 13.6496 13.6496 14.1329 14.1329 15.5165 15.5165 k = 0.0000 0.2571-0.0000 ( 2894 PWs) bands (ev): -30.6724 -30.6724 -11.7045 -11.7045 -10.2851 -10.2851 -10.2703 -10.2703 -3.0571 -3.0571 -3.0248 -3.0248 -3.0166 -3.0166 -2.9894 -2.9894 -2.9668 -2.9668 -2.9654 -2.9654 -2.2221 -2.2221 -2.2063 -2.2063 -2.1910 -2.1910 -2.1239 -2.1239 -2.1169 -2.1169 -2.0980 -2.0980 -1.9824 -1.9824 -1.9404 -1.9404 -1.9012 -1.9012 3.2158 3.2158 6.9844 6.9844 9.6214 9.6214 10.4705 10.4705 10.6088 10.6088 12.0734 12.0734 12.8967 12.8967 13.4428 13.4428 13.6324 13.6324 14.1352 14.1352 15.5337 15.5337 k = 0.0000 0.2714-0.0000 ( 2894 PWs) bands (ev): -30.6723 -30.6723 -11.7050 -11.7050 -10.2865 -10.2865 -10.2704 -10.2704 -3.0564 -3.0564 -3.0209 -3.0209 -3.0129 -3.0129 -2.9871 -2.9871 -2.9657 -2.9657 -2.9643 -2.9643 -2.2215 -2.2215 -2.2051 -2.2051 -2.1874 -2.1874 -2.1250 -2.1250 -2.1170 -2.1170 -2.0998 -2.0998 -1.9856 -1.9856 -1.9468 -1.9468 -1.9036 -1.9036 3.2755 3.2755 6.8399 6.8399 9.6691 9.6691 10.4735 10.4735 10.6175 10.6175 12.1769 12.1769 12.7543 12.7543 13.4185 13.4185 13.6185 13.6185 14.1375 14.1375 15.5480 15.5480 k = 0.0000 0.2857-0.0000 ( 2890 PWs) bands (ev): -30.6723 -30.6723 -11.7055 -11.7055 -10.2878 -10.2878 -10.2706 -10.2706 -3.0558 -3.0558 -3.0170 -3.0170 -3.0092 -3.0092 -2.9848 -2.9848 -2.9646 -2.9646 -2.9632 -2.9632 -2.2211 -2.2211 -2.2040 -2.2040 -2.1835 -2.1835 -2.1261 -2.1261 -2.1170 -2.1170 -2.1016 -2.1016 -1.9890 -1.9890 -1.9530 -1.9530 -1.9060 -1.9060 3.3382 3.3382 6.6971 6.6971 9.7195 9.7195 10.4760 10.4760 10.6258 10.6258 12.2811 12.2811 12.6148 12.6148 13.3978 13.3978 13.6079 13.6079 14.1397 14.1397 15.5591 15.5591 k = 0.0000 0.3000-0.0000 ( 2878 PWs) bands (ev): -30.6722 -30.6722 -11.7061 -11.7061 -10.2892 -10.2892 -10.2707 -10.2707 -3.0552 -3.0552 -3.0131 -3.0131 -3.0055 -3.0055 -2.9826 -2.9826 -2.9635 -2.9635 -2.9622 -2.9622 -2.2207 -2.2207 -2.2030 -2.2030 -2.1794 -2.1794 -2.1273 -2.1273 -2.1171 -2.1171 -2.1033 -2.1033 -1.9926 -1.9926 -1.9591 -1.9591 -1.9083 -1.9083 3.4037 3.4037 6.5560 6.5560 9.7725 9.7725 10.4781 10.4781 10.6334 10.6334 12.3862 12.3862 12.4780 12.4780 13.3807 13.3807 13.6005 13.6005 14.1419 14.1419 15.5660 15.5660 k = 0.0000 0.3143-0.0000 ( 2866 PWs) bands (ev): -30.6721 -30.6721 -11.7066 -11.7066 -10.2905 -10.2905 -10.2709 -10.2709 -3.0546 -3.0546 -3.0093 -3.0093 -3.0018 -3.0018 -2.9805 -2.9805 -2.9625 -2.9625 -2.9613 -2.9613 -2.2204 -2.2204 -2.2020 -2.2020 -2.1751 -2.1751 -2.1283 -2.1283 -2.1171 -2.1171 -2.1049 -2.1049 -1.9964 -1.9964 -1.9650 -1.9650 -1.9105 -1.9105 3.4719 3.4719 6.4169 6.4169 9.8281 9.8281 10.4799 10.4799 10.6405 10.6405 12.3442 12.3442 12.4921 12.4921 13.3671 13.3671 13.5961 13.5961 14.1441 14.1441 15.5670 15.5670 k = 0.0000 0.3286-0.0000 ( 2862 PWs) bands (ev): -30.6721 -30.6721 -11.7071 -11.7071 -10.2918 -10.2918 -10.2710 -10.2710 -3.0540 -3.0540 -3.0055 -3.0055 -2.9982 -2.9982 -2.9786 -2.9786 -2.9615 -2.9615 -2.9605 -2.9605 -2.2203 -2.2203 -2.2010 -2.2010 -2.1707 -2.1707 -2.1293 -2.1293 -2.1171 -2.1171 -2.1065 -2.1065 -2.0006 -2.0006 -1.9705 -1.9705 -1.9126 -1.9126 3.5428 3.5428 6.2801 6.2801 9.8863 9.8863 10.4813 10.4813 10.6469 10.6469 12.2133 12.2133 12.5989 12.5989 13.3569 13.3569 13.5945 13.5945 14.1462 14.1462 15.5587 15.5587 k = 0.0000 0.3429-0.0000 ( 2862 PWs) bands (ev): -30.6721 -30.6721 -11.7076 -11.7076 -10.2930 -10.2930 -10.2711 -10.2711 -3.0534 -3.0534 -3.0018 -3.0018 -2.9946 -2.9946 -2.9767 -2.9767 -2.9606 -2.9606 -2.9598 -2.9598 -2.2202 -2.2202 -2.2001 -2.2001 -2.1662 -2.1662 -2.1302 -2.1302 -2.1171 -2.1171 -2.1080 -2.1080 -2.0051 -2.0051 -1.9756 -1.9756 -1.9145 -1.9145 3.6162 3.6162 6.1457 6.1457 9.9471 9.9471 10.4824 10.4824 10.6526 10.6526 12.0854 12.0854 12.7063 12.7063 13.3501 13.3501 13.5953 13.5953 14.1482 14.1482 15.5349 15.5349 k = 0.0000 0.3571-0.0000 ( 2870 PWs) bands (ev): -30.6720 -30.6720 -11.7080 -11.7080 -10.2941 -10.2941 -10.2712 -10.2712 -3.0529 -3.0529 -2.9982 -2.9982 -2.9912 -2.9912 -2.9751 -2.9751 -2.9597 -2.9597 -2.9592 -2.9592 -2.2203 -2.2203 -2.1992 -2.1992 -2.1615 -2.1615 -2.1310 -2.1310 -2.1171 -2.1171 -2.1094 -2.1094 -2.0100 -2.0100 -1.9802 -1.9802 -1.9164 -1.9164 3.6919 3.6919 6.0141 6.0141 10.0103 10.0103 10.4832 10.4832 10.6577 10.6577 11.9607 11.9607 12.8140 12.8140 13.3466 13.3466 13.5983 13.5983 14.1501 14.1501 15.4872 15.4872 k = 0.0000 0.3714-0.0000 ( 2886 PWs) bands (ev): -30.6720 -30.6720 -11.7085 -11.7085 -10.2952 -10.2952 -10.2714 -10.2714 -3.0524 -3.0524 -2.9947 -2.9947 -2.9879 -2.9879 -2.9736 -2.9736 -2.9589 -2.9589 -2.9587 -2.9587 -2.2204 -2.2204 -2.1984 -2.1984 -2.1569 -2.1569 -2.1316 -2.1316 -2.1171 -2.1171 -2.1108 -2.1108 -2.0151 -2.0151 -1.9842 -1.9842 -1.9181 -1.9181 3.7697 3.7697 5.8856 5.8856 10.0759 10.0759 10.4839 10.4839 10.6621 10.6621 11.8392 11.8392 12.9212 12.9212 13.3467 13.3467 13.6030 13.6030 14.1518 14.1518 15.4108 15.4108 k = 0.0000 0.3857-0.0000 ( 2890 PWs) bands (ev): -30.6720 -30.6720 -11.7088 -11.7088 -10.2961 -10.2961 -10.2715 -10.2715 -3.0520 -3.0520 -2.9914 -2.9914 -2.9847 -2.9847 -2.9723 -2.9723 -2.9584 -2.9584 -2.9582 -2.9582 -2.2207 -2.2207 -2.1977 -2.1977 -2.1522 -2.1522 -2.1321 -2.1321 -2.1171 -2.1171 -2.1121 -2.1121 -2.0204 -2.0204 -1.9877 -1.9877 -1.9197 -1.9197 3.8491 3.8491 5.7606 5.7606 10.1436 10.1436 10.4847 10.4847 10.6659 10.6659 11.7210 11.7210 13.0264 13.0264 13.3515 13.3515 13.6091 13.6091 14.1534 14.1534 15.3104 15.3104 k = 0.0000 0.4000-0.0000 ( 2894 PWs) bands (ev): -30.6720 -30.6720 -11.7092 -11.7092 -10.2970 -10.2970 -10.2715 -10.2715 -3.0516 -3.0516 -2.9884 -2.9884 -2.9818 -2.9818 -2.9713 -2.9713 -2.9582 -2.9582 -2.9575 -2.9575 -2.2210 -2.2210 -2.1970 -2.1970 -2.1476 -2.1476 -2.1324 -2.1324 -2.1171 -2.1171 -2.1134 -2.1134 -2.0258 -2.0258 -1.9908 -1.9908 -1.9211 -1.9211 3.9297 3.9297 5.6397 5.6397 10.2131 10.2131 10.4857 10.4857 10.6691 10.6691 11.6063 11.6063 13.1256 13.1256 13.3639 13.3639 13.6160 13.6160 14.1549 14.1549 15.1957 15.1957 k = 0.0000 0.4143-0.0000 ( 2890 PWs) bands (ev): -30.6720 -30.6720 -11.7095 -11.7095 -10.2978 -10.2978 -10.2716 -10.2716 -3.0512 -3.0512 -2.9855 -2.9855 -2.9790 -2.9790 -2.9705 -2.9705 -2.9582 -2.9582 -2.9569 -2.9569 -2.2213 -2.2213 -2.1964 -2.1964 -2.1432 -2.1432 -2.1325 -2.1325 -2.1171 -2.1171 -2.1146 -2.1146 -2.0310 -2.0310 -1.9933 -1.9933 -1.9223 -1.9223 4.0107 4.0107 5.5236 5.5236 10.2835 10.2835 10.4877 10.4877 10.6718 10.6718 11.4955 11.4955 13.2094 13.2094 13.3923 13.3923 13.6233 13.6233 14.1562 14.1562 15.0751 15.0751 k = 0.0000 0.4286-0.0000 ( 2882 PWs) bands (ev): -30.6719 -30.6719 -11.7098 -11.7098 -10.2984 -10.2984 -10.2717 -10.2717 -3.0509 -3.0509 -2.9829 -2.9829 -2.9765 -2.9765 -2.9699 -2.9699 -2.9583 -2.9583 -2.9564 -2.9564 -2.2216 -2.2216 -2.1958 -2.1958 -2.1389 -2.1389 -2.1325 -2.1325 -2.1170 -2.1170 -2.1157 -2.1157 -2.0361 -2.0361 -1.9954 -1.9954 -1.9234 -1.9234 4.0909 4.0909 5.4137 5.4137 10.3528 10.3528 10.4922 10.4922 10.6739 10.6739 11.3891 11.3891 13.2634 13.2634 13.4493 13.4493 13.6304 13.6304 14.1573 14.1573 14.9541 14.9541 k = 0.0000 0.4429-0.0000 ( 2882 PWs) bands (ev): -30.6719 -30.6719 -11.7100 -11.7100 -10.2990 -10.2990 -10.2718 -10.2718 -3.0507 -3.0507 -2.9806 -2.9806 -2.9742 -2.9742 -2.9696 -2.9696 -2.9585 -2.9585 -2.9560 -2.9560 -2.2219 -2.2219 -2.1954 -2.1954 -2.1351 -2.1351 -2.1324 -2.1324 -2.1170 -2.1170 -2.1167 -2.1167 -2.0406 -2.0406 -1.9971 -1.9971 -1.9242 -1.9242 4.1684 4.1684 5.3118 5.3118 10.4141 10.4141 10.5053 10.5053 10.6756 10.6756 11.2879 11.2879 13.2897 13.2897 13.5304 13.5304 13.6370 13.6370 14.1582 14.1582 14.8371 14.8371 k = 0.0000 0.4571-0.0000 ( 2890 PWs) bands (ev): -30.6719 -30.6719 -11.7102 -11.7102 -10.2994 -10.2994 -10.2718 -10.2718 -3.0505 -3.0505 -2.9786 -2.9786 -2.9723 -2.9723 -2.9695 -2.9695 -2.9589 -2.9589 -2.9557 -2.9557 -2.2222 -2.2222 -2.1950 -2.1950 -2.1323 -2.1323 -2.1318 -2.1318 -2.1176 -2.1176 -2.1170 -2.1170 -2.0445 -2.0445 -1.9985 -1.9985 -1.9249 -1.9249 4.2401 4.2401 5.2212 5.2212 10.4501 10.4501 10.5425 10.5425 10.6769 10.6769 11.1937 11.1937 13.3025 13.3025 13.6173 13.6173 13.6427 13.6427 14.1589 14.1589 14.7295 14.7295 k = 0.0000 0.4714-0.0000 ( 2890 PWs) bands (ev): -30.6719 -30.6719 -11.7103 -11.7103 -10.2997 -10.2997 -10.2718 -10.2718 -3.0503 -3.0503 -2.9770 -2.9770 -2.9708 -2.9708 -2.9696 -2.9696 -2.9592 -2.9592 -2.9554 -2.9554 -2.2224 -2.2224 -2.1948 -2.1948 -2.1322 -2.1322 -2.1292 -2.1292 -2.1182 -2.1182 -2.1170 -2.1170 -2.0476 -2.0476 -1.9994 -1.9994 -1.9254 -1.9254 4.3008 4.3008 5.1469 5.1469 10.4620 10.4620 10.5989 10.5989 10.6778 10.6778 11.1105 11.1105 13.3093 13.3093 13.6470 13.6470 13.6958 13.6958 14.1595 14.1595 14.6382 14.6382 k = 0.0000 0.4857-0.0000 ( 2886 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.2999 -10.2999 -10.2719 -10.2719 -3.0502 -3.0502 -2.9760 -2.9760 -2.9698 -2.9698 -2.9697 -2.9697 -2.9595 -2.9595 -2.9553 -2.9553 -2.2226 -2.2226 -2.1946 -2.1946 -2.1320 -2.1320 -2.1275 -2.1275 -2.1186 -2.1186 -2.1170 -2.1170 -2.0495 -2.0495 -2.0000 -2.0000 -1.9257 -1.9257 4.3430 4.3430 5.0966 5.0966 10.4657 10.4657 10.6493 10.6493 10.6783 10.6783 11.0474 11.0474 13.3128 13.3128 13.6497 13.6497 13.7525 13.7525 14.1598 14.1598 14.5744 14.5744 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.2999 -10.2999 -10.2719 -10.2719 -3.0502 -3.0502 -2.9756 -2.9756 -2.9698 -2.9698 -2.9695 -2.9695 -2.9597 -2.9597 -2.9552 -2.9552 -2.2226 -2.2226 -2.1945 -2.1945 -2.1320 -2.1320 -2.1269 -2.1269 -2.1187 -2.1187 -2.1170 -2.1170 -2.0502 -2.0502 -2.0001 -2.0001 -1.9258 -1.9258 4.3584 4.3584 5.0784 5.0784 10.4666 10.4666 10.6706 10.6706 10.6785 10.6785 11.0221 11.0221 13.3139 13.3139 13.6506 13.6506 13.7737 13.7737 14.1599 14.1599 14.5509 14.5509 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.2999 -10.2999 -10.2719 -10.2719 -3.0502 -3.0502 -2.9756 -2.9756 -2.9698 -2.9698 -2.9695 -2.9695 -2.9597 -2.9597 -2.9552 -2.9552 -2.2226 -2.2226 -2.1945 -2.1945 -2.1320 -2.1320 -2.1269 -2.1269 -2.1187 -2.1187 -2.1170 -2.1170 -2.0502 -2.0502 -2.0001 -2.0001 -1.9258 -1.9258 4.3584 4.3584 5.0784 5.0784 10.4666 10.4666 10.6706 10.6706 10.6785 10.6785 11.0221 11.0221 13.3139 13.3139 13.6506 13.6506 13.7737 13.7737 14.1599 14.1599 14.5509 14.5509 k = 0.0143 0.5000-0.0000 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.2999 -10.2999 -10.2719 -10.2719 -3.0501 -3.0501 -2.9758 -2.9758 -2.9698 -2.9698 -2.9696 -2.9696 -2.9595 -2.9595 -2.9551 -2.9551 -2.2226 -2.2226 -2.1946 -2.1946 -2.1325 -2.1325 -2.1267 -2.1267 -2.1187 -2.1187 -2.1166 -2.1166 -2.0502 -2.0502 -2.0002 -2.0002 -1.9260 -1.9260 4.3597 4.3597 5.0802 5.0802 10.4168 10.4168 10.6027 10.6027 10.7958 10.7958 11.0203 11.0203 13.2998 13.2998 13.6184 13.6184 13.7965 13.7965 14.1808 14.1808 14.5492 14.5492 k = 0.0286 0.5000-0.0000 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.3000 -10.3000 -10.2720 -10.2720 -3.0498 -3.0498 -2.9763 -2.9763 -2.9703 -2.9703 -2.9694 -2.9694 -2.9590 -2.9590 -2.9547 -2.9547 -2.2225 -2.2225 -2.1946 -2.1946 -2.1338 -2.1338 -2.1264 -2.1264 -2.1185 -2.1185 -2.1155 -2.1155 -2.0500 -2.0500 -2.0004 -2.0004 -1.9267 -1.9267 4.3634 4.3634 5.0856 5.0856 10.2989 10.2989 10.5853 10.5853 10.9247 10.9247 11.0197 11.0197 13.2612 13.2612 13.5505 13.5505 13.8395 13.8395 14.2371 14.2371 14.5444 14.5444 k = 0.0429 0.5000-0.0000 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7105 -11.7105 -10.3000 -10.3000 -10.2722 -10.2722 -3.0492 -3.0492 -2.9771 -2.9771 -2.9712 -2.9712 -2.9690 -2.9690 -2.9582 -2.9582 -2.9540 -2.9540 -2.2224 -2.2224 -2.1946 -2.1946 -2.1355 -2.1355 -2.1259 -2.1259 -2.1183 -2.1183 -2.1140 -2.1140 -2.0498 -2.0498 -2.0006 -2.0006 -1.9278 -1.9278 4.3696 4.3696 5.0946 5.0946 10.1606 10.1606 10.5860 10.5860 10.9786 10.9786 11.0915 11.0915 13.2058 13.2058 13.4695 13.4695 13.8856 13.8856 14.3160 14.3160 14.5376 14.5376 k = 0.0571 0.5000-0.0000 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7106 -11.7106 -10.3000 -10.3000 -10.2724 -10.2724 -3.0485 -3.0485 -2.9781 -2.9781 -2.9723 -2.9723 -2.9687 -2.9687 -2.9573 -2.9573 -2.9531 -2.9531 -2.2222 -2.2222 -2.1946 -2.1946 -2.1374 -2.1374 -2.1255 -2.1255 -2.1179 -2.1179 -2.1122 -2.1122 -2.0494 -2.0494 -2.0010 -2.0010 -1.9294 -1.9294 4.3783 4.3783 5.1072 5.1072 10.0167 10.0167 10.5930 10.5930 10.9632 10.9632 11.2264 11.2264 13.1409 13.1409 13.3834 13.3834 13.9306 13.9306 14.4049 14.4049 14.5326 14.5326 k = 0.0714 0.5000-0.0000 ( 2884 PWs) bands (ev): -30.6718 -30.6718 -11.7107 -11.7107 -10.3000 -10.3000 -10.2728 -10.2728 -3.0475 -3.0475 -2.9792 -2.9792 -2.9735 -2.9735 -2.9683 -2.9683 -2.9563 -2.9563 -2.9521 -2.9521 -2.2220 -2.2220 -2.1947 -2.1947 -2.1393 -2.1393 -2.1251 -2.1251 -2.1175 -2.1175 -2.1102 -2.1102 -2.0490 -2.0490 -2.0014 -2.0014 -1.9314 -1.9314 4.3894 4.3894 5.1234 5.1234 9.8709 9.8709 10.6035 10.6035 10.9358 10.9358 11.3654 11.3654 13.0717 13.0717 13.2964 13.2964 13.9730 13.9730 14.4710 14.4710 14.5578 14.5578 k = 0.0857 0.5000-0.0000 ( 2886 PWs) bands (ev): -30.6718 -30.6718 -11.7108 -11.7108 -10.3000 -10.3000 -10.2731 -10.2731 -3.0464 -3.0464 -2.9803 -2.9803 -2.9747 -2.9747 -2.9679 -2.9679 -2.9552 -2.9552 -2.9509 -2.9509 -2.2217 -2.2217 -2.1947 -2.1947 -2.1412 -2.1412 -2.1247 -2.1247 -2.1170 -2.1170 -2.1083 -2.1083 -2.0484 -2.0484 -2.0019 -2.0019 -1.9338 -1.9338 4.4030 4.4030 5.1430 5.1430 9.7246 9.7246 10.6163 10.6163 10.9004 10.9004 11.5037 11.5037 13.0015 13.0015 13.2115 13.2115 14.0118 14.0118 14.4751 14.4751 14.6498 14.6498 k = 0.1000 0.5000-0.0000 ( 2890 PWs) bands (ev): -30.6718 -30.6718 -11.7110 -11.7110 -10.3000 -10.3000 -10.2736 -10.2736 -3.0450 -3.0450 -2.9815 -2.9815 -2.9760 -2.9760 -2.9676 -2.9676 -2.9541 -2.9541 -2.9496 -2.9496 -2.2213 -2.2213 -2.1947 -2.1947 -2.1431 -2.1431 -2.1243 -2.1243 -2.1165 -2.1165 -2.1063 -2.1063 -2.0478 -2.0478 -2.0025 -2.0025 -1.9366 -1.9366 4.4191 4.4191 5.1662 5.1662 9.5784 9.5784 10.6299 10.6299 10.8581 10.8581 11.6400 11.6400 12.9320 12.9320 13.1317 13.1317 14.0471 14.0471 14.4618 14.4618 14.7631 14.7631 k = 0.1143 0.5000-0.0000 ( 2886 PWs) bands (ev): -30.6718 -30.6718 -11.7112 -11.7112 -10.3000 -10.3000 -10.2741 -10.2741 -3.0435 -3.0435 -2.9827 -2.9827 -2.9773 -2.9773 -2.9673 -2.9673 -2.9530 -2.9530 -2.9483 -2.9483 -2.2210 -2.2210 -2.1946 -2.1946 -2.1449 -2.1449 -2.1238 -2.1238 -2.1159 -2.1159 -2.1044 -2.1044 -2.0469 -2.0469 -2.0032 -2.0032 -1.9398 -1.9398 4.4377 4.4377 5.1929 5.1929 9.4327 9.4327 10.6411 10.6411 10.8120 10.8120 11.7738 11.7738 12.8632 12.8632 13.0599 13.0599 14.0789 14.0789 14.4452 14.4452 14.8833 14.8833 k = 0.1286 0.5000-0.0000 ( 2884 PWs) bands (ev): -30.6718 -30.6718 -11.7114 -11.7114 -10.3001 -10.3001 -10.2746 -10.2746 -3.0418 -3.0418 -2.9839 -2.9839 -2.9786 -2.9786 -2.9670 -2.9670 -2.9519 -2.9519 -2.9470 -2.9470 -2.2205 -2.2205 -2.1945 -2.1945 -2.1466 -2.1466 -2.1233 -2.1233 -2.1153 -2.1153 -2.1027 -2.1027 -2.0460 -2.0460 -2.0040 -2.0040 -1.9434 -1.9434 4.4587 4.4587 5.2229 5.2229 9.2879 9.2879 10.6389 10.6389 10.7727 10.7727 11.9044 11.9044 12.7944 12.7944 12.9991 12.9991 14.1077 14.1077 14.4279 14.4279 15.0078 15.0078 k = 0.1429 0.5000-0.0000 ( 2888 PWs) bands (ev): -30.6717 -30.6717 -11.7116 -11.7116 -10.3001 -10.3001 -10.2752 -10.2752 -3.0399 -3.0399 -2.9851 -2.9851 -2.9799 -2.9799 -2.9667 -2.9667 -2.9508 -2.9508 -2.9456 -2.9456 -2.2200 -2.2200 -2.1943 -2.1943 -2.1481 -2.1481 -2.1227 -2.1227 -2.1148 -2.1148 -2.1011 -2.1011 -2.0449 -2.0449 -2.0048 -2.0048 -1.9473 -1.9473 4.4821 4.4821 5.2563 5.2563 9.1441 9.1441 10.6032 10.6032 10.7603 10.7603 12.0313 12.0313 12.7246 12.7246 12.9519 12.9519 14.1336 14.1336 14.4110 14.4110 15.1357 15.1357 k = 0.1571 0.5000-0.0000 ( 2896 PWs) bands (ev): -30.6717 -30.6717 -11.7118 -11.7118 -10.3002 -10.3002 -10.2758 -10.2758 -3.0379 -3.0379 -2.9862 -2.9862 -2.9812 -2.9812 -2.9664 -2.9664 -2.9497 -2.9497 -2.9442 -2.9442 -2.2194 -2.2194 -2.1941 -2.1941 -2.1495 -2.1495 -2.1222 -2.1222 -2.1142 -2.1142 -2.0997 -2.0997 -2.0437 -2.0437 -2.0057 -2.0057 -1.9516 -1.9516 4.5080 4.5080 5.2930 5.2930 9.0015 9.0015 10.5356 10.5356 10.7737 10.7737 12.1537 12.1537 12.6538 12.6538 12.9192 12.9192 14.1570 14.1570 14.3955 14.3955 15.2664 15.2664 k = 0.1714 0.5000-0.0000 ( 2896 PWs) bands (ev): -30.6717 -30.6717 -11.7121 -11.7121 -10.3003 -10.3003 -10.2764 -10.2764 -3.0358 -3.0358 -2.9874 -2.9874 -2.9825 -2.9825 -2.9661 -2.9661 -2.9487 -2.9487 -2.9429 -2.9429 -2.2188 -2.2188 -2.1937 -2.1937 -2.1507 -2.1507 -2.1216 -2.1216 -2.1137 -2.1137 -2.0984 -2.0984 -2.0423 -2.0423 -2.0067 -2.0067 -1.9561 -1.9561 4.5363 4.5363 5.3329 5.3329 8.8603 8.8603 10.4508 10.4508 10.7987 10.7987 12.2708 12.2708 12.5832 12.5832 12.9007 12.9007 14.1778 14.1778 14.3825 14.3825 15.3994 15.3994 k = 0.1857 0.5000-0.0000 ( 2894 PWs) bands (ev): -30.6717 -30.6717 -11.7124 -11.7124 -10.3004 -10.3004 -10.2770 -10.2770 -3.0335 -3.0335 -2.9885 -2.9885 -2.9837 -2.9837 -2.9658 -2.9658 -2.9477 -2.9477 -2.9415 -2.9415 -2.2181 -2.2181 -2.1933 -2.1933 -2.1518 -2.1518 -2.1209 -2.1209 -2.1133 -2.1133 -2.0974 -2.0974 -2.0408 -2.0408 -2.0077 -2.0077 -1.9609 -1.9609 4.5670 4.5670 5.3760 5.3760 8.7208 8.7208 10.3552 10.3552 10.8296 10.8296 12.3785 12.3785 12.5171 12.5171 12.8956 12.8956 14.1960 14.1960 14.3728 14.3728 15.5141 15.5141 k = 0.2000 0.5000-0.0000 ( 2890 PWs) bands (ev): -30.6716 -30.6716 -11.7126 -11.7126 -10.3005 -10.3005 -10.2777 -10.2777 -3.0311 -3.0311 -2.9895 -2.9895 -2.9848 -2.9848 -2.9655 -2.9655 -2.9468 -2.9468 -2.9402 -2.9402 -2.2173 -2.2173 -2.1928 -2.1928 -2.1526 -2.1526 -2.1203 -2.1203 -2.1130 -2.1130 -2.0966 -2.0966 -2.0391 -2.0391 -2.0088 -2.0088 -1.9659 -1.9659 4.6001 4.6001 5.4221 5.4221 8.5830 8.5830 10.2520 10.2520 10.8643 10.8643 12.4200 12.4200 12.5127 12.5127 12.9025 12.9025 14.2114 14.2114 14.3673 14.3673 15.4344 15.4344 k = 0.2143 0.5000-0.0000 ( 2898 PWs) bands (ev): -30.6716 -30.6716 -11.7129 -11.7129 -10.3006 -10.3006 -10.2783 -10.2783 -3.0287 -3.0287 -2.9905 -2.9905 -2.9859 -2.9859 -2.9652 -2.9652 -2.9460 -2.9460 -2.9389 -2.9389 -2.2165 -2.2165 -2.1922 -2.1922 -2.1533 -2.1533 -2.1196 -2.1196 -2.1128 -2.1128 -2.0959 -2.0959 -2.0374 -2.0374 -2.0099 -2.0099 -1.9711 -1.9711 4.6355 4.6355 5.4712 5.4712 8.4470 8.4470 10.1428 10.1428 10.9018 10.9018 12.3624 12.3624 12.6030 12.6030 12.9207 12.9207 14.2241 14.2241 14.3668 14.3668 15.3473 15.3473 k = 0.2286 0.5000-0.0000 ( 2894 PWs) bands (ev): -30.6715 -30.6715 -11.7132 -11.7132 -10.3008 -10.3008 -10.2790 -10.2790 -3.0262 -3.0262 -2.9914 -2.9914 -2.9870 -2.9870 -2.9650 -2.9650 -2.9452 -2.9452 -2.9377 -2.9377 -2.2156 -2.2156 -2.1915 -2.1915 -2.1538 -2.1538 -2.1189 -2.1189 -2.1127 -2.1127 -2.0955 -2.0955 -2.0356 -2.0356 -2.0112 -2.0112 -1.9764 -1.9764 4.6732 4.6732 5.5231 5.5231 8.3131 8.3131 10.0289 10.0289 10.9419 10.9419 12.2981 12.2981 12.6955 12.6955 12.9490 12.9490 14.2347 14.2347 14.3713 14.3713 15.2581 15.2581 k = 0.2429 0.5000-0.0000 ( 2886 PWs) bands (ev): -30.6715 -30.6715 -11.7135 -11.7135 -10.3010 -10.3010 -10.2796 -10.2796 -3.0237 -3.0237 -2.9923 -2.9923 -2.9879 -2.9879 -2.9647 -2.9647 -2.9446 -2.9446 -2.9365 -2.9365 -2.2146 -2.2146 -2.1906 -2.1906 -2.1540 -2.1540 -2.1181 -2.1181 -2.1127 -2.1127 -2.0952 -2.0952 -2.0337 -2.0337 -2.0126 -2.0126 -1.9817 -1.9817 4.7132 4.7132 5.5776 5.5776 8.1813 8.1813 9.9117 9.9117 10.9840 10.9840 12.2350 12.2350 12.7820 12.7820 12.9867 12.9867 14.2444 14.2444 14.3801 14.3801 15.1674 15.1674 k = 0.2571 0.5000-0.0000 ( 2886 PWs) bands (ev): -30.6715 -30.6715 -11.7138 -11.7138 -10.3012 -10.3012 -10.2802 -10.2802 -3.0212 -3.0212 -2.9931 -2.9931 -2.9888 -2.9888 -2.9644 -2.9644 -2.9441 -2.9441 -2.9353 -2.9353 -2.2136 -2.2136 -2.1897 -2.1897 -2.1541 -2.1541 -2.1174 -2.1174 -2.1129 -2.1129 -2.0951 -2.0951 -2.0319 -2.0319 -2.0142 -2.0142 -1.9868 -1.9868 4.7555 4.7555 5.6348 5.6348 8.0518 8.0518 9.7920 9.7920 11.0280 11.0280 12.1744 12.1744 12.8615 12.8615 13.0325 13.0325 14.2547 14.2547 14.3923 14.3923 15.0759 15.0759 k = 0.2714 0.5000-0.0000 ( 2898 PWs) bands (ev): -30.6714 -30.6714 -11.7141 -11.7141 -10.3014 -10.3014 -10.2807 -10.2807 -3.0188 -3.0188 -2.9938 -2.9938 -2.9894 -2.9894 -2.9641 -2.9641 -2.9436 -2.9436 -2.9342 -2.9342 -2.2125 -2.2125 -2.1887 -2.1887 -2.1540 -2.1540 -2.1166 -2.1166 -2.1133 -2.1133 -2.0952 -2.0952 -2.0301 -2.0301 -2.0160 -2.0160 -1.9917 -1.9917 4.7998 4.7998 5.6943 5.6943 7.9247 7.9247 9.6708 9.6708 11.0735 11.0735 12.1166 12.1166 12.9342 12.9342 13.0850 13.0850 14.2669 14.2669 14.4068 14.4068 14.9845 14.9845 k = 0.2857 0.5000-0.0000 ( 2894 PWs) bands (ev): -30.6714 -30.6714 -11.7144 -11.7144 -10.3017 -10.3017 -10.2813 -10.2813 -3.0165 -3.0165 -2.9945 -2.9945 -2.9899 -2.9899 -2.9639 -2.9639 -2.9433 -2.9433 -2.9331 -2.9331 -2.2113 -2.2113 -2.1876 -2.1876 -2.1536 -2.1536 -2.1158 -2.1158 -2.1137 -2.1137 -2.0954 -2.0954 -2.0286 -2.0286 -2.0182 -2.0182 -1.9961 -1.9961 4.8462 4.8462 5.7559 5.7559 7.8003 7.8003 9.5491 9.5491 11.1204 11.1204 12.0619 12.0619 13.0006 13.0006 13.1426 13.1426 14.2819 14.2819 14.4228 14.4228 14.8940 14.8940 k = 0.3000 0.5000-0.0000 ( 2896 PWs) bands (ev): -30.6714 -30.6714 -11.7147 -11.7147 -10.3020 -10.3020 -10.2818 -10.2818 -3.0144 -3.0144 -2.9952 -2.9952 -2.9901 -2.9901 -2.9636 -2.9636 -2.9431 -2.9431 -2.9320 -2.9320 -2.2100 -2.2100 -2.1864 -2.1864 -2.1531 -2.1531 -2.1153 -2.1153 -2.1141 -2.1141 -2.0957 -2.0957 -2.0280 -2.0280 -2.0203 -2.0203 -1.9997 -1.9997 4.8946 4.8946 5.8195 5.8195 7.6786 7.6786 9.4275 9.4275 11.1681 11.1681 12.0103 12.0103 13.0610 13.0610 13.2044 13.2044 14.3000 14.3000 14.4397 14.4397 14.8055 14.8055 k = 0.3143 0.5000-0.0000 ( 2888 PWs) bands (ev): -30.6713 -30.6713 -11.7150 -11.7150 -10.3023 -10.3023 -10.2822 -10.2822 -3.0126 -3.0126 -2.9958 -2.9958 -2.9900 -2.9900 -2.9633 -2.9633 -2.9431 -2.9431 -2.9311 -2.9311 -2.2087 -2.2087 -2.1851 -2.1851 -2.1523 -2.1523 -2.1157 -2.1157 -2.1137 -2.1137 -2.0961 -2.0961 -2.0295 -2.0295 -2.0211 -2.0211 -2.0026 -2.0026 4.9448 4.9448 5.8847 5.8847 7.5599 7.5599 9.3068 9.3068 11.2165 11.2165 11.9620 11.9620 13.1148 13.1148 13.2707 13.2707 14.3202 14.3202 14.4571 14.4571 14.7207 14.7207 k = 0.3286 0.5000-0.0000 ( 2890 PWs) bands (ev): -30.6713 -30.6713 -11.7152 -11.7152 -10.3026 -10.3026 -10.2826 -10.2826 -3.0110 -3.0110 -2.9964 -2.9964 -2.9894 -2.9894 -2.9631 -2.9631 -2.9432 -2.9432 -2.9301 -2.9301 -2.2073 -2.2073 -2.1839 -2.1839 -2.1513 -2.1513 -2.1166 -2.1166 -2.1128 -2.1128 -2.0965 -2.0965 -2.0332 -2.0332 -2.0204 -2.0204 -2.0047 -2.0047 4.9967 4.9967 5.9511 5.9511 7.4444 7.4444 9.1879 9.1879 11.2652 11.2652 11.9170 11.9170 13.1612 13.1612 13.3420 13.3420 14.3403 14.3403 14.4744 14.4744 14.6428 14.6428 k = 0.3429 0.5000-0.0000 ( 2890 PWs) bands (ev): -30.6713 -30.6713 -11.7155 -11.7155 -10.3029 -10.3029 -10.2830 -10.2830 -3.0098 -3.0098 -2.9970 -2.9970 -2.9885 -2.9885 -2.9628 -2.9628 -2.9434 -2.9434 -2.9293 -2.9293 -2.2059 -2.2059 -2.1826 -2.1826 -2.1501 -2.1501 -2.1177 -2.1177 -2.1119 -2.1119 -2.0971 -2.0971 -2.0381 -2.0381 -2.0192 -2.0192 -2.0062 -2.0062 5.0499 5.0499 6.0184 6.0184 7.3324 7.3324 9.0714 9.0714 11.3136 11.3136 11.8755 11.8755 13.1999 13.1999 13.4189 13.4189 14.3539 14.3539 14.4890 14.4890 14.5805 14.5805 k = 0.3571 0.5000-0.0000 ( 2898 PWs) bands (ev): -30.6712 -30.6712 -11.7157 -11.7157 -10.3033 -10.3033 -10.2833 -10.2833 -3.0090 -3.0090 -2.9976 -2.9976 -2.9872 -2.9872 -2.9625 -2.9625 -2.9438 -2.9438 -2.9285 -2.9285 -2.2045 -2.2045 -2.1813 -2.1813 -2.1487 -2.1487 -2.1189 -2.1189 -2.1110 -2.1110 -2.0978 -2.0978 -2.0434 -2.0434 -2.0180 -2.0180 -2.0072 -2.0072 5.1043 5.1043 6.0860 6.0860 7.2243 7.2243 8.9580 8.9580 11.3613 11.3613 11.8374 11.8374 13.2314 13.2314 13.5011 13.5011 14.3474 14.3474 14.4928 14.4928 14.5553 14.5553 k = 0.3714 0.5000-0.0000 ( 2898 PWs) bands (ev): -30.6712 -30.6712 -11.7160 -11.7160 -10.3036 -10.3036 -10.2836 -10.2836 -3.0084 -3.0084 -2.9982 -2.9982 -2.9857 -2.9857 -2.9621 -2.9621 -2.9443 -2.9443 -2.9278 -2.9278 -2.2031 -2.2031 -2.1800 -2.1800 -2.1470 -2.1470 -2.1201 -2.1201 -2.1101 -2.1101 -2.0984 -2.0984 -2.0490 -2.0490 -2.0170 -2.0170 -2.0077 -2.0077 5.1595 5.1595 6.1533 6.1533 7.1204 7.1204 8.8488 8.8488 11.4078 11.4078 11.8029 11.8029 13.2564 13.2564 13.5881 13.5881 14.3107 14.3107 14.4940 14.4940 14.5691 14.5691 k = 0.3857 0.5000-0.0000 ( 2890 PWs) bands (ev): -30.6712 -30.6712 -11.7162 -11.7162 -10.3039 -10.3039 -10.2838 -10.2838 -3.0080 -3.0080 -2.9987 -2.9987 -2.9840 -2.9840 -2.9617 -2.9617 -2.9449 -2.9449 -2.9271 -2.9271 -2.2016 -2.2016 -2.1788 -2.1788 -2.1451 -2.1451 -2.1214 -2.1214 -2.1093 -2.1093 -2.0991 -2.0991 -2.0546 -2.0546 -2.0162 -2.0162 -2.0079 -2.0079 5.2149 5.2149 6.2195 6.2195 7.0212 7.0212 8.7447 8.7447 11.4525 11.4525 11.7719 11.7719 13.2760 13.2760 13.6791 13.6791 14.2569 14.2569 14.5037 14.5037 14.5970 14.5970 k = 0.4000 0.5000-0.0000 ( 2888 PWs) bands (ev): -30.6711 -30.6711 -11.7164 -11.7164 -10.3042 -10.3042 -10.2840 -10.2840 -3.0078 -3.0078 -2.9991 -2.9991 -2.9822 -2.9822 -2.9613 -2.9613 -2.9457 -2.9457 -2.9265 -2.9265 -2.2003 -2.2003 -2.1777 -2.1777 -2.1430 -2.1430 -2.1227 -2.1227 -2.1086 -2.1086 -2.0996 -2.0996 -2.0601 -2.0601 -2.0156 -2.0156 -2.0078 -2.0078 5.2698 5.2698 6.2837 6.2837 6.9276 6.9276 8.6468 8.6468 11.4945 11.4945 11.7444 11.7444 13.2912 13.2912 13.7729 13.7729 14.2009 14.2009 14.5163 14.5163 14.6302 14.6302 k = 0.4143 0.5000-0.0000 ( 2896 PWs) bands (ev): -30.6711 -30.6711 -11.7165 -11.7165 -10.3045 -10.3045 -10.2842 -10.2842 -3.0077 -3.0077 -2.9996 -2.9996 -2.9805 -2.9805 -2.9607 -2.9607 -2.9466 -2.9466 -2.9260 -2.9260 -2.1990 -2.1990 -2.1766 -2.1766 -2.1407 -2.1407 -2.1240 -2.1240 -2.1084 -2.1084 -2.0997 -2.0997 -2.0654 -2.0654 -2.0153 -2.0153 -2.0075 -2.0075 5.3233 5.3233 6.3446 6.3446 6.8405 6.8405 8.5563 8.5563 11.5333 11.5333 11.7206 11.7206 13.3027 13.3027 13.8666 13.8666 14.1511 14.1511 14.5283 14.5283 14.6650 14.6650 k = 0.4286 0.5000-0.0000 ( 2896 PWs) bands (ev): -30.6711 -30.6711 -11.7167 -11.7167 -10.3047 -10.3047 -10.2844 -10.2844 -3.0077 -3.0077 -2.9999 -2.9999 -2.9789 -2.9789 -2.9601 -2.9601 -2.9476 -2.9476 -2.9256 -2.9256 -2.1978 -2.1978 -2.1757 -2.1757 -2.1382 -2.1382 -2.1252 -2.1252 -2.1087 -2.1087 -2.0994 -2.0994 -2.0705 -2.0705 -2.0151 -2.0151 -2.0070 -2.0070 5.3743 5.3743 6.4008 6.4008 6.7612 6.7612 8.4749 8.4749 11.5680 11.5680 11.7004 11.7004 13.3113 13.3113 13.9502 13.9502 14.1196 14.1196 14.5390 14.5390 14.6986 14.6986 k = 0.4429 0.5000-0.0000 ( 2890 PWs) bands (ev): -30.6711 -30.6711 -11.7168 -11.7168 -10.3049 -10.3049 -10.2845 -10.2845 -3.0077 -3.0077 -3.0002 -3.0002 -2.9775 -2.9775 -2.9594 -2.9594 -2.9487 -2.9487 -2.9252 -2.9252 -2.1968 -2.1968 -2.1750 -2.1750 -2.1357 -2.1357 -2.1262 -2.1262 -2.1095 -2.1095 -2.0985 -2.0985 -2.0752 -2.0752 -2.0151 -2.0151 -2.0066 -2.0066 5.4209 5.4209 6.4507 6.4507 6.6912 6.6912 8.4044 8.4044 11.5978 11.5978 11.6839 11.6839 13.3177 13.3177 13.9883 13.9883 14.1426 14.1426 14.5482 14.5482 14.7286 14.7286 k = 0.4571 0.5000-0.0000 ( 2890 PWs) bands (ev): -30.6711 -30.6711 -11.7169 -11.7169 -10.3051 -10.3051 -10.2846 -10.2846 -3.0077 -3.0077 -3.0004 -3.0004 -2.9764 -2.9764 -2.9585 -2.9585 -2.9498 -2.9498 -2.9249 -2.9249 -2.1959 -2.1959 -2.1744 -2.1744 -2.1332 -2.1332 -2.1271 -2.1271 -2.1107 -2.1107 -2.0972 -2.0972 -2.0795 -2.0795 -2.0151 -2.0151 -2.0062 -2.0062 5.4613 5.4613 6.4923 6.4923 6.6327 6.6327 8.3465 8.3465 11.6220 11.6220 11.6710 11.6710 13.3221 13.3221 13.9775 13.9775 14.2224 14.2224 14.5562 14.5562 14.7522 14.7522 k = 0.4714 0.5000-0.0000 ( 2882 PWs) bands (ev): -30.6711 -30.6711 -11.7170 -11.7170 -10.3052 -10.3052 -10.2846 -10.2846 -3.0077 -3.0077 -3.0006 -3.0006 -2.9756 -2.9756 -2.9576 -2.9576 -2.9508 -2.9508 -2.9247 -2.9247 -2.1953 -2.1953 -2.1739 -2.1739 -2.1309 -2.1309 -2.1278 -2.1278 -2.1121 -2.1121 -2.0955 -2.0955 -2.0833 -2.0833 -2.0151 -2.0151 -2.0058 -2.0058 5.4928 5.4928 6.5238 6.5238 6.5883 6.5883 8.3033 8.3033 11.6398 11.6398 11.6618 11.6618 13.3251 13.3251 13.9591 13.9591 14.3140 14.3140 14.5641 14.5641 14.7645 14.7645 k = 0.4857 0.5000-0.0000 ( 2864 PWs) bands (ev): -30.6710 -30.6710 -11.7170 -11.7170 -10.3053 -10.3053 -10.2847 -10.2847 -3.0077 -3.0077 -3.0007 -3.0007 -2.9751 -2.9751 -2.9569 -2.9569 -2.9517 -2.9517 -2.9246 -2.9246 -2.1949 -2.1949 -2.1736 -2.1736 -2.1293 -2.1293 -2.1281 -2.1281 -2.1132 -2.1132 -2.0937 -2.0937 -2.0864 -2.0864 -2.0151 -2.0151 -2.0056 -2.0056 5.5131 5.5131 6.5431 6.5431 6.5608 6.5608 8.2766 8.2766 11.6507 11.6507 11.6563 11.6563 13.3267 13.3267 13.9461 13.9461 14.3919 14.3919 14.5738 14.5738 14.7555 14.7555 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -30.6710 -30.6710 -11.7170 -11.7170 -10.3053 -10.3053 -10.2847 -10.2847 -3.0077 -3.0077 -3.0007 -3.0007 -2.9749 -2.9749 -2.9565 -2.9565 -2.9521 -2.9521 -2.9245 -2.9245 -2.1948 -2.1948 -2.1735 -2.1735 -2.1287 -2.1287 -2.1282 -2.1282 -2.1137 -2.1137 -2.0925 -2.0925 -2.0880 -2.0880 -2.0151 -2.0151 -2.0056 -2.0056 5.5201 5.5201 6.5470 6.5470 6.5540 6.5540 8.2676 8.2676 11.6540 11.6540 11.6548 11.6548 13.3273 13.3273 13.9415 13.9415 14.4251 14.4251 14.5816 14.5816 14.7379 14.7379 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -30.6710 -30.6710 -11.7170 -11.7170 -10.3053 -10.3053 -10.2847 -10.2847 -3.0077 -3.0077 -3.0007 -3.0007 -2.9749 -2.9749 -2.9565 -2.9565 -2.9521 -2.9521 -2.9245 -2.9245 -2.1948 -2.1948 -2.1735 -2.1735 -2.1287 -2.1287 -2.1282 -2.1282 -2.1137 -2.1137 -2.0925 -2.0925 -2.0880 -2.0880 -2.0151 -2.0151 -2.0056 -2.0056 5.5201 5.5201 6.5470 6.5470 6.5540 6.5540 8.2676 8.2676 11.6540 11.6540 11.6548 11.6548 13.3273 13.3273 13.9415 13.9415 14.4251 14.4251 14.5816 14.5816 14.7379 14.7379 k = 0.4898 0.4898-0.0000 ( 2864 PWs) bands (ev): -30.6710 -30.6710 -11.7170 -11.7170 -10.3053 -10.3053 -10.2847 -10.2847 -3.0077 -3.0077 -3.0007 -3.0007 -2.9751 -2.9751 -2.9569 -2.9569 -2.9517 -2.9517 -2.9246 -2.9246 -2.1949 -2.1949 -2.1736 -2.1736 -2.1293 -2.1293 -2.1282 -2.1282 -2.1132 -2.1132 -2.0937 -2.0937 -2.0864 -2.0864 -2.0151 -2.0151 -2.0056 -2.0056 5.5129 5.5129 6.5485 6.5485 6.5554 6.5554 8.2768 8.2768 11.6510 11.6510 11.6559 11.6559 13.3267 13.3267 13.9462 13.9462 14.3919 14.3919 14.5710 14.5710 14.7610 14.7610 k = 0.4796 0.4796-0.0000 ( 2882 PWs) bands (ev): -30.6711 -30.6711 -11.7170 -11.7170 -10.3052 -10.3052 -10.2846 -10.2846 -3.0077 -3.0077 -3.0006 -3.0006 -2.9756 -2.9756 -2.9577 -2.9577 -2.9508 -2.9508 -2.9247 -2.9247 -2.1953 -2.1953 -2.1739 -2.1739 -2.1308 -2.1308 -2.1281 -2.1281 -2.1121 -2.1121 -2.0953 -2.0953 -2.0834 -2.0834 -2.0151 -2.0151 -2.0058 -2.0058 5.4916 5.4916 6.5530 6.5530 6.5599 6.5599 8.3043 8.3043 11.6411 11.6411 11.6603 11.6603 13.3245 13.3245 13.9595 13.9595 14.3167 14.3167 14.5443 14.5443 14.8067 14.8067 k = 0.4694 0.4694-0.0000 ( 2888 PWs) bands (ev): -30.6711 -30.6711 -11.7169 -11.7169 -10.3051 -10.3051 -10.2846 -10.2846 -3.0077 -3.0077 -3.0004 -3.0004 -2.9764 -2.9764 -2.9587 -2.9587 -2.9497 -2.9497 -2.9249 -2.9249 -2.1960 -2.1960 -2.1742 -2.1742 -2.1328 -2.1328 -2.1279 -2.1279 -2.1109 -2.1109 -2.0962 -2.0962 -2.0799 -2.0799 -2.0151 -2.0151 -2.0061 -2.0061 5.4570 5.4570 6.5599 6.5599 6.5679 6.5679 8.3490 8.3490 11.6248 11.6248 11.6677 11.6677 13.3191 13.3191 13.9786 13.9786 14.2310 14.2310 14.5090 14.5090 14.8540 14.8540 k = 0.4592 0.4592-0.0000 ( 2896 PWs) bands (ev): -30.6711 -30.6711 -11.7168 -11.7168 -10.3049 -10.3049 -10.2845 -10.2845 -3.0078 -3.0078 -3.0001 -3.0001 -2.9775 -2.9775 -2.9597 -2.9597 -2.9485 -2.9485 -2.9252 -2.9252 -2.1970 -2.1970 -2.1746 -2.1746 -2.1352 -2.1352 -2.1279 -2.1279 -2.1102 -2.1102 -2.0959 -2.0959 -2.0762 -2.0762 -2.0153 -2.0153 -2.0063 -2.0063 5.4103 5.4103 6.5691 6.5691 6.5798 6.5798 8.4096 8.4096 11.6028 11.6028 11.6781 11.6781 13.3080 13.3080 13.9933 13.9933 14.1594 14.1594 14.4699 14.4699 14.8999 14.8999 k = 0.4490 0.4490-0.0000 ( 2896 PWs) bands (ev): -30.6711 -30.6711 -11.7167 -11.7167 -10.3047 -10.3047 -10.2844 -10.2844 -3.0079 -3.0079 -2.9998 -2.9998 -2.9789 -2.9789 -2.9607 -2.9607 -2.9473 -2.9473 -2.9256 -2.9256 -2.1982 -2.1982 -2.1749 -2.1749 -2.1377 -2.1377 -2.1282 -2.1282 -2.1100 -2.1100 -2.0944 -2.0944 -2.0722 -2.0722 -2.0156 -2.0156 -2.0064 -2.0064 5.3530 5.3530 6.5803 6.5803 6.5959 6.5959 8.4845 8.4845 11.5755 11.5755 11.6913 11.6913 13.2869 13.2869 13.9769 13.9769 14.1373 14.1373 14.4294 14.4294 14.9447 14.9447 k = 0.4388 0.4388-0.0000 ( 2900 PWs) bands (ev): -30.6712 -30.6712 -11.7165 -11.7165 -10.3044 -10.3044 -10.2842 -10.2842 -3.0080 -3.0080 -2.9993 -2.9993 -2.9804 -2.9804 -2.9618 -2.9618 -2.9461 -2.9461 -2.9260 -2.9260 -2.1997 -2.1997 -2.1750 -2.1750 -2.1402 -2.1402 -2.1288 -2.1288 -2.1102 -2.1102 -2.0919 -2.0919 -2.0682 -2.0682 -2.0161 -2.0161 -2.0061 -2.0061 5.2867 5.2867 6.5937 6.5937 6.6161 6.6161 8.5720 8.5720 11.5438 11.5438 11.7075 11.7075 13.2512 13.2512 13.9336 13.9336 14.1666 14.1666 14.3892 14.3892 14.9881 14.9881 k = 0.4286 0.4286-0.0000 ( 2898 PWs) bands (ev): -30.6712 -30.6712 -11.7163 -11.7163 -10.3041 -10.3041 -10.2841 -10.2841 -3.0083 -3.0083 -2.9987 -2.9987 -2.9822 -2.9822 -2.9628 -2.9628 -2.9451 -2.9451 -2.9265 -2.9265 -2.2013 -2.2013 -2.1750 -2.1750 -2.1427 -2.1427 -2.1299 -2.1299 -2.1103 -2.1103 -2.0889 -2.0889 -2.0641 -2.0641 -2.0169 -2.0169 -2.0056 -2.0056 5.2130 5.2130 6.6096 6.6096 6.6403 6.6403 8.6704 8.6704 11.5084 11.5084 11.7266 11.7266 13.1970 13.1970 13.8973 13.8973 14.2158 14.2158 14.3522 14.3522 15.0297 15.0297 k = 0.4184 0.4184-0.0000 ( 2896 PWs) bands (ev): -30.6712 -30.6712 -11.7161 -11.7161 -10.3037 -10.3037 -10.2839 -10.2839 -3.0087 -3.0087 -2.9980 -2.9980 -2.9841 -2.9841 -2.9639 -2.9639 -2.9441 -2.9441 -2.9271 -2.9271 -2.2031 -2.2031 -2.1748 -2.1748 -2.1453 -2.1453 -2.1313 -2.1313 -2.1105 -2.1105 -2.0855 -2.0855 -2.0601 -2.0601 -2.0178 -2.0178 -2.0046 -2.0046 5.1332 5.1332 6.6278 6.6278 6.6685 6.6685 8.7782 8.7782 11.4699 11.4699 11.7486 11.7486 13.1239 13.1239 13.8804 13.8804 14.2575 14.2575 14.3345 14.3345 15.0688 15.0688 k = 0.4082 0.4082-0.0000 ( 2898 PWs) bands (ev): -30.6712 -30.6712 -11.7159 -11.7159 -10.3033 -10.3033 -10.2837 -10.2837 -3.0091 -3.0091 -2.9973 -2.9973 -2.9860 -2.9860 -2.9649 -2.9649 -2.9433 -2.9433 -2.9277 -2.9277 -2.2049 -2.2049 -2.1745 -2.1745 -2.1478 -2.1478 -2.1331 -2.1331 -2.1105 -2.1105 -2.0819 -2.0819 -2.0564 -2.0564 -2.0185 -2.0185 -2.0033 -2.0033 5.0488 5.0488 6.6484 6.6484 6.7007 6.7007 8.8939 8.8939 11.4290 11.4290 11.7735 11.7735 13.0349 13.0349 13.8834 13.8834 14.2454 14.2454 14.3788 14.3788 15.1046 15.1046 k = 0.3980 0.3980-0.0000 ( 2902 PWs) bands (ev): -30.6713 -30.6713 -11.7156 -11.7156 -10.3028 -10.3028 -10.2835 -10.2835 -3.0097 -3.0097 -2.9966 -2.9966 -2.9881 -2.9881 -2.9660 -2.9660 -2.9427 -2.9427 -2.9284 -2.9284 -2.2067 -2.2067 -2.1741 -2.1741 -2.1502 -2.1502 -2.1350 -2.1350 -2.1106 -2.1106 -2.0783 -2.0783 -2.0531 -2.0531 -2.0189 -2.0189 -2.0016 -2.0016 4.9608 4.9608 6.6715 6.6715 6.7367 6.7367 9.0164 9.0164 11.3864 11.3864 11.8011 11.8011 12.9347 12.9347 13.9032 13.9032 14.2108 14.2108 14.4520 14.4520 15.1365 15.1365 k = 0.3878 0.3878-0.0000 ( 2894 PWs) bands (ev): -30.6713 -30.6713 -11.7153 -11.7153 -10.3023 -10.3023 -10.2832 -10.2832 -3.0104 -3.0104 -2.9960 -2.9960 -2.9902 -2.9902 -2.9671 -2.9671 -2.9423 -2.9423 -2.9291 -2.9291 -2.2084 -2.2084 -2.1735 -2.1735 -2.1526 -2.1526 -2.1371 -2.1371 -2.1106 -2.1106 -2.0747 -2.0747 -2.0504 -2.0504 -2.0185 -2.0185 -1.9996 -1.9996 4.8702 4.8702 6.6971 6.6971 6.7765 6.7765 9.1445 9.1445 11.3426 11.3426 11.8316 11.8316 12.8274 12.8274 13.9363 13.9363 14.1735 14.1735 14.5331 14.5331 15.1638 15.1638 k = 0.3776 0.3776-0.0000 ( 2902 PWs) bands (ev): -30.6713 -30.6713 -11.7150 -11.7150 -10.3017 -10.3017 -10.2829 -10.2829 -3.0112 -3.0112 -2.9954 -2.9954 -2.9924 -2.9924 -2.9682 -2.9682 -2.9421 -2.9421 -2.9299 -2.9299 -2.2101 -2.2101 -2.1730 -2.1730 -2.1550 -2.1550 -2.1391 -2.1391 -2.1108 -2.1108 -2.0712 -2.0712 -2.0486 -2.0486 -2.0172 -2.0172 -1.9974 -1.9974 4.7778 4.7778 6.7253 6.7253 6.8201 6.8201 9.2773 9.2773 11.2981 11.2981 11.8647 11.8647 12.7163 12.7163 13.9788 13.9788 14.1369 14.1369 14.6180 14.6180 15.1858 15.1858 k = 0.3673 0.3673-0.0000 ( 2894 PWs) bands (ev): -30.6714 -30.6714 -11.7146 -11.7146 -10.3010 -10.3010 -10.2826 -10.2826 -3.0121 -3.0121 -2.9953 -2.9953 -2.9943 -2.9943 -2.9693 -2.9693 -2.9421 -2.9421 -2.9307 -2.9307 -2.2115 -2.2115 -2.1724 -2.1724 -2.1574 -2.1574 -2.1412 -2.1412 -2.1110 -2.1110 -2.0681 -2.0681 -2.0475 -2.0475 -2.0147 -2.0147 -1.9948 -1.9948 4.6845 4.6845 6.7559 6.7559 6.8673 6.8673 9.4139 9.4139 11.2534 11.2534 11.9005 11.9005 12.6037 12.6037 14.0228 14.0228 14.1076 14.1076 14.7047 14.7047 15.2020 15.2020 k = 0.3571 0.3571-0.0000 ( 2902 PWs) bands (ev): -30.6714 -30.6714 -11.7143 -11.7143 -10.3004 -10.3004 -10.2823 -10.2823 -3.0131 -3.0131 -2.9971 -2.9971 -2.9946 -2.9946 -2.9703 -2.9703 -2.9423 -2.9423 -2.9316 -2.9316 -2.2128 -2.2128 -2.1720 -2.1720 -2.1597 -2.1597 -2.1431 -2.1431 -2.1113 -2.1113 -2.0658 -2.0658 -2.0466 -2.0466 -2.0113 -2.0113 -1.9920 -1.9920 4.5906 4.5906 6.7891 6.7891 6.9181 6.9181 9.5537 9.5537 11.2088 11.2088 11.9387 11.9387 12.4915 12.4915 14.0303 14.0303 14.1221 14.1221 14.7909 14.7909 15.2123 15.2123 k = 0.3469 0.3469-0.0000 ( 2906 PWs) bands (ev): -30.6715 -30.6715 -11.7139 -11.7139 -10.2996 -10.2996 -10.2819 -10.2819 -3.0142 -3.0142 -2.9993 -2.9993 -2.9946 -2.9946 -2.9712 -2.9712 -2.9427 -2.9427 -2.9326 -2.9326 -2.2139 -2.2139 -2.1717 -2.1717 -2.1620 -2.1620 -2.1448 -2.1448 -2.1117 -2.1117 -2.0647 -2.0647 -2.0453 -2.0453 -2.0072 -2.0072 -1.9889 -1.9889 4.4969 4.4969 6.8249 6.8249 6.9725 6.9725 9.6959 9.6959 11.1646 11.1646 11.9789 11.9789 12.3812 12.3812 13.9980 13.9980 14.1823 14.1823 14.8737 14.8737 15.2175 15.2175 k = 0.3367 0.3367-0.0000 ( 2904 PWs) bands (ev): -30.6715 -30.6715 -11.7134 -11.7134 -10.2988 -10.2988 -10.2816 -10.2816 -3.0155 -3.0155 -3.0016 -3.0016 -2.9949 -2.9949 -2.9721 -2.9721 -2.9433 -2.9433 -2.9337 -2.9337 -2.2148 -2.2148 -2.1717 -2.1717 -2.1644 -2.1644 -2.1462 -2.1462 -2.1121 -2.1121 -2.0648 -2.0648 -2.0432 -2.0432 -2.0027 -2.0027 -1.9855 -1.9855 4.4036 4.4036 6.8632 6.8632 7.0302 7.0302 9.8399 9.8399 11.1213 11.1213 12.0200 12.0200 12.2747 12.2747 13.9571 13.9571 14.2556 14.2556 14.9483 14.9483 15.2196 15.2196 k = 0.3265 0.3265-0.0000 ( 2904 PWs) bands (ev): -30.6716 -30.6716 -11.7130 -11.7130 -10.2980 -10.2980 -10.2811 -10.2811 -3.0168 -3.0168 -3.0038 -3.0038 -2.9955 -2.9955 -2.9728 -2.9728 -2.9441 -2.9441 -2.9349 -2.9349 -2.2155 -2.2155 -2.1720 -2.1720 -2.1667 -2.1667 -2.1472 -2.1472 -2.1124 -2.1124 -2.0661 -2.0661 -2.0402 -2.0402 -1.9978 -1.9978 -1.9819 -1.9819 4.3112 4.3112 6.9041 6.9041 7.0912 7.0912 9.9848 9.9848 11.0791 11.0791 12.0553 12.0553 12.1796 12.1796 13.9122 13.9122 14.3359 14.3359 15.0068 15.0068 15.2241 15.2241 k = 0.3163 0.3163-0.0000 ( 2902 PWs) bands (ev): -30.6716 -30.6716 -11.7125 -11.7125 -10.2971 -10.2971 -10.2807 -10.2807 -3.0183 -3.0183 -3.0061 -3.0061 -2.9964 -2.9964 -2.9734 -2.9734 -2.9450 -2.9450 -2.9362 -2.9362 -2.2160 -2.2160 -2.1727 -2.1727 -2.1690 -2.1690 -2.1478 -2.1478 -2.1128 -2.1128 -2.0682 -2.0682 -2.0366 -2.0366 -1.9927 -1.9927 -1.9781 -1.9781 4.2199 4.2199 6.9477 6.9477 7.1554 7.1554 10.1297 10.1297 11.0384 11.0384 12.0332 12.0332 12.1481 12.1481 13.8634 13.8634 14.4213 14.4213 15.0384 15.0384 15.2387 15.2387 k = 0.3061 0.3061-0.0000 ( 2894 PWs) bands (ev): -30.6716 -30.6716 -11.7120 -11.7120 -10.2962 -10.2962 -10.2803 -10.2803 -3.0199 -3.0199 -3.0084 -3.0084 -2.9976 -2.9976 -2.9739 -2.9739 -2.9461 -2.9461 -2.9377 -2.9377 -2.2164 -2.2164 -2.1738 -2.1738 -2.1714 -2.1714 -2.1479 -2.1479 -2.1131 -2.1131 -2.0706 -2.0706 -2.0328 -2.0328 -1.9876 -1.9876 -1.9741 -1.9741 4.1301 4.1301 6.9939 6.9939 7.2227 7.2227 10.2737 10.2737 10.9997 10.9997 11.9482 11.9482 12.1865 12.1865 13.8100 13.8100 14.5103 14.5103 15.0398 15.0398 15.2633 15.2633 k = 0.2959 0.2959-0.0000 ( 2890 PWs) bands (ev): -30.6717 -30.6717 -11.7115 -11.7115 -10.2952 -10.2952 -10.2798 -10.2798 -3.0215 -3.0215 -3.0106 -3.0106 -2.9990 -2.9990 -2.9744 -2.9744 -2.9473 -2.9473 -2.9393 -2.9393 -2.2166 -2.2166 -2.1754 -2.1754 -2.1737 -2.1737 -2.1475 -2.1475 -2.1132 -2.1132 -2.0734 -2.0734 -2.0287 -2.0287 -1.9825 -1.9825 -1.9698 -1.9698 4.0419 4.0419 7.0428 7.0428 7.2928 7.2928 10.4146 10.4146 10.9638 10.9638 11.8588 11.8588 12.2374 12.2374 13.7511 13.7511 14.6007 14.6007 15.0208 15.0208 15.2738 15.2738 k = 0.2857 0.2857-0.0000 ( 2902 PWs) bands (ev): -30.6718 -30.6718 -11.7109 -11.7109 -10.2942 -10.2942 -10.2793 -10.2793 -3.0233 -3.0233 -3.0129 -3.0129 -3.0007 -3.0007 -2.9750 -2.9750 -2.9486 -2.9486 -2.9411 -2.9411 -2.2167 -2.2167 -2.1773 -2.1773 -2.1761 -2.1761 -2.1468 -2.1468 -2.1133 -2.1133 -2.0762 -2.0762 -2.0245 -2.0245 -1.9773 -1.9773 -1.9653 -1.9653 3.9556 3.9556 7.0944 7.0944 7.3657 7.3657 10.5489 10.5489 10.9328 10.9328 11.7747 11.7747 12.2927 12.2927 13.6855 13.6855 14.6895 14.6895 14.9915 14.9915 15.2748 15.2748 k = 0.2755 0.2755-0.0000 ( 2902 PWs) bands (ev): -30.6718 -30.6718 -11.7104 -11.7104 -10.2931 -10.2931 -10.2788 -10.2788 -3.0252 -3.0252 -3.0152 -3.0152 -3.0026 -3.0026 -2.9755 -2.9755 -2.9500 -2.9500 -2.9430 -2.9430 -2.2167 -2.2167 -2.1795 -2.1795 -2.1785 -2.1785 -2.1457 -2.1457 -2.1132 -2.1132 -2.0790 -2.0790 -2.0203 -2.0203 -1.9723 -1.9723 -1.9607 -1.9607 3.8714 3.8714 7.1486 7.1486 7.4413 7.4413 10.6675 10.6675 10.9130 10.9130 11.7001 11.7001 12.3510 12.3510 13.6125 13.6125 14.7715 14.7715 14.9586 14.9586 15.2867 15.2867 k = 0.2653 0.2653-0.0000 ( 2900 PWs) bands (ev): -30.6719 -30.6719 -11.7098 -11.7098 -10.2920 -10.2920 -10.2783 -10.2783 -3.0272 -3.0272 -3.0175 -3.0175 -3.0047 -3.0047 -2.9762 -2.9762 -2.9516 -2.9516 -2.9450 -2.9450 -2.2166 -2.2166 -2.1820 -2.1820 -2.1808 -2.1808 -2.1445 -2.1445 -2.1129 -2.1129 -2.0817 -2.0817 -2.0161 -2.0161 -1.9672 -1.9672 -1.9559 -1.9559 3.7893 3.7893 7.2056 7.2056 7.5192 7.5192 10.7448 10.7448 10.9246 10.9246 11.6407 11.6407 12.4118 12.4118 13.5313 13.5313 14.8383 14.8383 14.9276 14.9276 15.2630 15.2630 k = 0.2551 0.2551-0.0000 ( 2904 PWs) bands (ev): -30.6719 -30.6719 -11.7092 -11.7092 -10.2909 -10.2909 -10.2778 -10.2778 -3.0292 -3.0292 -3.0198 -3.0198 -3.0068 -3.0068 -2.9770 -2.9770 -2.9531 -2.9531 -2.9470 -2.9470 -2.2166 -2.2166 -2.1847 -2.1847 -2.1831 -2.1831 -2.1430 -2.1430 -2.1125 -2.1125 -2.0844 -2.0844 -2.0119 -2.0119 -1.9622 -1.9622 -1.9510 -1.9510 3.7096 3.7096 7.2652 7.2652 7.5993 7.5993 10.7598 10.7598 10.9787 10.9787 11.6064 11.6064 12.4748 12.4748 13.4413 13.4413 14.8710 14.8710 14.9137 14.9137 15.2218 15.2218 k = 0.2449 0.2449-0.0000 ( 2903 PWs) bands (ev): -30.6720 -30.6720 -11.7086 -11.7086 -10.2897 -10.2897 -10.2773 -10.2773 -3.0313 -3.0313 -3.0221 -3.0221 -3.0091 -3.0091 -2.9779 -2.9779 -2.9548 -2.9548 -2.9492 -2.9492 -2.2165 -2.2165 -2.1874 -2.1874 -2.1854 -2.1854 -2.1414 -2.1414 -2.1119 -2.1119 -2.0869 -2.0869 -2.0077 -2.0077 -1.9573 -1.9573 -1.9461 -1.9461 3.6323 3.6323 7.3276 7.3276 7.6814 7.6814 10.7444 10.7444 11.0294 11.0294 11.6116 11.6116 12.5397 12.5397 13.3429 13.3429 14.8570 14.8570 14.9299 14.9299 15.1697 15.1697 k = 0.2347 0.2347-0.0000 ( 2897 PWs) bands (ev): -30.6720 -30.6720 -11.7080 -11.7080 -10.2885 -10.2885 -10.2768 -10.2768 -3.0335 -3.0335 -3.0244 -3.0244 -3.0115 -3.0115 -2.9790 -2.9790 -2.9565 -2.9565 -2.9513 -2.9513 -2.2165 -2.2165 -2.1902 -2.1902 -2.1876 -2.1876 -2.1398 -2.1398 -2.1111 -2.1111 -2.0892 -2.0892 -2.0036 -2.0036 -1.9523 -1.9523 -1.9411 -1.9411 3.5576 3.5576 7.3927 7.3927 7.7653 7.7653 10.7210 10.7210 11.0451 11.0451 11.6652 11.6652 12.6061 12.6061 13.2364 13.2364 14.8378 14.8378 14.9402 14.9402 15.1101 15.1101 k = 0.2245 0.2245-0.0000 ( 2903 PWs) bands (ev): -30.6721 -30.6721 -11.7073 -11.7073 -10.2873 -10.2873 -10.2762 -10.2762 -3.0356 -3.0356 -3.0268 -3.0268 -3.0139 -3.0139 -2.9804 -2.9804 -2.9582 -2.9582 -2.9535 -2.9535 -2.2166 -2.2166 -2.1930 -2.1930 -2.1899 -2.1899 -2.1381 -2.1381 -2.1102 -2.1102 -2.0913 -2.0913 -1.9996 -1.9996 -1.9474 -1.9474 -1.9361 -1.9361 3.4855 3.4855 7.4605 7.4605 7.8507 7.8507 10.6959 10.6959 11.0274 11.0274 11.7593 11.7593 12.6732 12.6732 13.1235 13.1235 14.8231 14.8231 14.9414 14.9414 15.0462 15.0462 k = 0.2143 0.2143-0.0000 ( 2899 PWs) bands (ev): -30.6721 -30.6721 -11.7067 -11.7067 -10.2861 -10.2861 -10.2757 -10.2757 -3.0378 -3.0378 -3.0292 -3.0292 -3.0163 -3.0163 -2.9819 -2.9819 -2.9600 -2.9600 -2.9556 -2.9556 -2.2168 -2.2168 -2.1958 -2.1958 -2.1920 -2.1920 -2.1364 -2.1364 -2.1093 -2.1093 -2.0930 -2.0930 -1.9957 -1.9957 -1.9425 -1.9425 -1.9312 -1.9312 3.4162 3.4162 7.5310 7.5310 7.9372 7.9372 10.6708 10.6708 10.9900 10.9900 11.8784 11.8784 12.7377 12.7377 13.0081 13.0081 14.8139 14.8139 14.9367 14.9367 14.9803 14.9803 k = 0.2041 0.2041-0.0000 ( 2897 PWs) bands (ev): -30.6722 -30.6722 -11.7061 -11.7061 -10.2848 -10.2848 -10.2751 -10.2751 -3.0400 -3.0400 -3.0316 -3.0316 -3.0188 -3.0188 -2.9837 -2.9837 -2.9617 -2.9617 -2.9576 -2.9576 -2.2171 -2.2171 -2.1986 -2.1986 -2.1941 -2.1941 -2.1347 -2.1347 -2.1084 -2.1084 -2.0944 -2.0944 -1.9919 -1.9919 -1.9376 -1.9376 -1.9263 -1.9263 3.3497 3.3497 7.6042 7.6042 8.0246 8.0246 10.6464 10.6464 10.9434 10.9434 12.0109 12.0109 12.7776 12.7776 12.9133 12.9133 14.8091 14.8091 14.9151 14.9151 14.9292 14.9292 k = 0.1939 0.1939-0.0000 ( 2895 PWs) bands (ev): -30.6723 -30.6723 -11.7054 -11.7054 -10.2836 -10.2836 -10.2746 -10.2746 -3.0421 -3.0421 -3.0341 -3.0341 -3.0213 -3.0213 -2.9857 -2.9857 -2.9633 -2.9633 -2.9596 -2.9596 -2.2176 -2.2176 -2.2013 -2.2013 -2.1960 -2.1960 -2.1330 -2.1330 -2.1077 -2.1077 -2.0952 -2.0952 -1.9883 -1.9883 -1.9327 -1.9327 -1.9216 -1.9216 3.2861 3.2861 7.6800 7.6800 8.1125 8.1125 10.6231 10.6231 10.8935 10.8935 12.1497 12.1497 12.7086 12.7086 12.9254 12.9254 14.8009 14.8009 14.8597 14.8597 14.9203 14.9203 k = 0.1837 0.1837-0.0000 ( 2907 PWs) bands (ev): -30.6723 -30.6723 -11.7048 -11.7048 -10.2824 -10.2824 -10.2741 -10.2741 -3.0442 -3.0442 -3.0366 -3.0366 -3.0239 -3.0239 -2.9879 -2.9879 -2.9650 -2.9650 -2.9616 -2.9616 -2.2182 -2.2182 -2.2040 -2.2040 -2.1979 -2.1979 -2.1313 -2.1313 -2.1074 -2.1074 -2.0954 -2.0954 -1.9848 -1.9848 -1.9278 -1.9278 -1.9170 -1.9170 3.2254 3.2254 7.7585 7.7585 8.2006 8.2006 10.6009 10.6009 10.8434 10.8434 12.2875 12.2875 12.5888 12.5888 12.9908 12.9908 14.7610 14.7610 14.8423 14.8423 14.9120 14.9120 k = 0.1735 0.1735-0.0000 ( 2901 PWs) bands (ev): -30.6724 -30.6724 -11.7042 -11.7042 -10.2811 -10.2811 -10.2736 -10.2736 -3.0463 -3.0463 -3.0390 -3.0390 -3.0264 -3.0264 -2.9902 -2.9902 -2.9665 -2.9665 -2.9634 -2.9634 -2.2189 -2.2189 -2.2067 -2.2067 -2.1996 -2.1996 -2.1298 -2.1298 -2.1075 -2.1075 -2.0948 -2.0948 -1.9815 -1.9815 -1.9229 -1.9229 -1.9125 -1.9125 3.1678 3.1678 7.8395 7.8395 8.2883 8.2883 10.5799 10.5799 10.7949 10.7949 12.3741 12.3741 12.5119 12.5119 13.0649 13.0649 14.7014 14.7014 14.8500 14.8500 14.9063 14.9063 k = 0.1633 0.1633-0.0000 ( 2903 PWs) bands (ev): -30.6724 -30.6724 -11.7036 -11.7036 -10.2799 -10.2799 -10.2730 -10.2730 -3.0483 -3.0483 -3.0415 -3.0415 -3.0290 -3.0290 -2.9926 -2.9926 -2.9679 -2.9679 -2.9652 -2.9652 -2.2198 -2.2198 -2.2092 -2.2092 -2.2011 -2.2011 -2.1282 -2.1282 -2.1080 -2.1080 -2.0936 -2.0936 -1.9783 -1.9783 -1.9181 -1.9181 -1.9082 -1.9082 3.1133 3.1133 7.9230 7.9230 8.3752 8.3752 10.5601 10.5601 10.7491 10.7491 12.2772 12.2772 12.6155 12.6155 13.1419 13.1419 14.6401 14.6401 14.8612 14.8612 14.9076 14.9076 k = 0.1531 0.1531-0.0000 ( 2895 PWs) bands (ev): -30.6725 -30.6725 -11.7030 -11.7030 -10.2787 -10.2787 -10.2726 -10.2726 -3.0502 -3.0502 -3.0439 -3.0439 -3.0315 -3.0315 -2.9951 -2.9951 -2.9693 -2.9693 -2.9668 -2.9668 -2.2208 -2.2208 -2.2117 -2.2117 -2.2025 -2.2025 -2.1268 -2.1268 -2.1088 -2.1088 -2.0921 -2.0921 -1.9753 -1.9753 -1.9134 -1.9134 -1.9040 -1.9040 3.0618 3.0618 8.0089 8.0089 8.4609 8.4609 10.5414 10.5414 10.7066 10.7066 12.1392 12.1392 12.7580 12.7580 13.2205 13.2205 14.5803 14.5803 14.8672 14.8672 14.9223 14.9223 k = 0.1429 0.1429-0.0000 ( 2895 PWs) bands (ev): -30.6725 -30.6725 -11.7024 -11.7024 -10.2776 -10.2776 -10.2721 -10.2721 -3.0521 -3.0521 -3.0462 -3.0462 -3.0340 -3.0340 -2.9975 -2.9975 -2.9706 -2.9706 -2.9684 -2.9684 -2.2218 -2.2218 -2.2141 -2.2141 -2.2037 -2.2037 -2.1254 -2.1254 -2.1096 -2.1096 -2.0903 -2.0903 -1.9725 -1.9725 -1.9088 -1.9088 -1.9001 -1.9001 3.0135 3.0135 8.0971 8.0971 8.5447 8.5447 10.5237 10.5237 10.6678 10.6678 11.9959 11.9959 12.9039 12.9039 13.3001 13.3001 14.5230 14.5230 14.8686 14.8686 14.9495 14.9495 k = 0.1327 0.1327-0.0000 ( 2899 PWs) bands (ev): -30.6726 -30.6726 -11.7019 -11.7019 -10.2765 -10.2765 -10.2716 -10.2716 -3.0539 -3.0539 -3.0486 -3.0486 -3.0365 -3.0365 -3.0000 -3.0000 -2.9718 -2.9718 -2.9699 -2.9699 -2.2229 -2.2229 -2.2164 -2.2164 -2.2048 -2.2048 -2.1241 -2.1241 -2.1104 -2.1104 -2.0884 -2.0884 -1.9698 -1.9698 -1.9043 -1.9043 -1.8963 -1.8963 2.9684 2.9684 8.1874 8.1874 8.6260 8.6260 10.5070 10.5070 10.6331 10.6331 11.8512 11.8512 13.0492 13.0492 13.3801 13.3801 14.4686 14.4686 14.8706 14.8706 14.9845 14.9845 k = 0.1224 0.1224-0.0000 ( 2899 PWs) bands (ev): -30.6726 -30.6726 -11.7014 -11.7014 -10.2754 -10.2754 -10.2712 -10.2712 -3.0556 -3.0556 -3.0508 -3.0508 -3.0389 -3.0389 -3.0023 -3.0023 -2.9730 -2.9730 -2.9714 -2.9714 -2.2240 -2.2240 -2.2186 -2.2186 -2.2058 -2.2058 -2.1229 -2.1229 -2.1112 -2.1112 -2.0864 -2.0864 -1.9674 -1.9674 -1.9000 -1.9000 -1.8928 -1.8928 2.9265 2.9265 8.2797 8.2797 8.7043 8.7043 10.4912 10.4912 10.6027 10.6027 11.7066 11.7066 13.1921 13.1921 13.4602 13.4602 14.4174 14.4174 14.8758 14.8758 15.0252 15.0252 k = 0.1122 0.1122-0.0000 ( 2897 PWs) bands (ev): -30.6726 -30.6726 -11.7009 -11.7009 -10.2744 -10.2744 -10.2708 -10.2708 -3.0572 -3.0572 -3.0530 -3.0530 -3.0412 -3.0412 -3.0046 -3.0046 -2.9740 -2.9740 -2.9727 -2.9727 -2.2252 -2.2252 -2.2207 -2.2207 -2.2067 -2.2067 -2.1218 -2.1218 -2.1119 -2.1119 -2.0845 -2.0845 -1.9651 -1.9651 -1.8959 -1.8959 -1.8895 -1.8895 2.8879 2.8879 8.3736 8.3736 8.7789 8.7789 10.4765 10.4765 10.5766 10.5766 11.5631 11.5631 13.3308 13.3308 13.5400 13.5400 14.3697 14.3697 14.8863 14.8863 15.0706 15.0706 k = 0.1020 0.1020-0.0000 ( 2897 PWs) bands (ev): -30.6727 -30.6727 -11.7004 -11.7004 -10.2734 -10.2734 -10.2704 -10.2704 -3.0587 -3.0587 -3.0550 -3.0550 -3.0434 -3.0434 -3.0067 -3.0067 -2.9750 -2.9750 -2.9739 -2.9739 -2.2263 -2.2263 -2.2226 -2.2226 -2.2074 -2.2074 -2.1208 -2.1208 -2.1126 -2.1126 -2.0826 -2.0826 -1.9631 -1.9631 -1.8920 -1.8920 -1.8865 -1.8865 2.8526 2.8526 8.4688 8.4688 8.8492 8.8492 10.4628 10.4628 10.5545 10.5545 11.4216 11.4216 13.4635 13.4635 13.6189 13.6189 14.3257 14.3257 14.9037 14.9037 15.1202 15.1202 k = 0.0918 0.0918-0.0000 ( 2901 PWs) bands (ev): -30.6727 -30.6727 -11.7000 -11.7000 -10.2726 -10.2726 -10.2701 -10.2701 -3.0601 -3.0601 -3.0569 -3.0569 -3.0455 -3.0455 -3.0086 -3.0086 -2.9759 -2.9759 -2.9750 -2.9750 -2.2273 -2.2273 -2.2243 -2.2243 -2.2081 -2.2081 -2.1198 -2.1198 -2.1132 -2.1132 -2.0809 -2.0809 -1.9612 -1.9612 -1.8883 -1.8883 -1.8837 -1.8837 2.8205 2.8205 8.5649 8.5649 8.9145 8.9145 10.4505 10.4505 10.5362 10.5362 11.2829 11.2829 13.5875 13.5875 13.6967 13.6967 14.2854 14.2854 14.9303 14.9303 15.1731 15.1731 k = 0.0816 0.0816-0.0000 ( 2903 PWs) bands (ev): -30.6728 -30.6728 -11.6996 -11.6996 -10.2717 -10.2717 -10.2698 -10.2698 -3.0613 -3.0613 -3.0587 -3.0587 -3.0474 -3.0474 -3.0104 -3.0104 -2.9767 -2.9767 -2.9760 -2.9760 -2.2283 -2.2283 -2.2259 -2.2259 -2.2088 -2.2088 -2.1190 -2.1190 -2.1138 -2.1138 -2.0792 -2.0792 -1.9595 -1.9595 -1.8850 -1.8850 -1.8812 -1.8812 2.7918 2.7918 8.6611 8.6611 8.9742 8.9742 10.4399 10.4399 10.5211 10.5211 11.1481 11.1481 13.6998 13.6998 13.7730 13.7730 14.2491 14.2491 14.9683 14.9683 15.2160 15.2160 k = 0.0714 0.0714-0.0000 ( 2901 PWs) bands (ev): -30.6728 -30.6728 -11.6992 -11.6992 -10.2710 -10.2710 -10.2695 -10.2695 -3.0625 -3.0625 -3.0604 -3.0604 -3.0491 -3.0491 -3.0120 -3.0120 -2.9774 -2.9774 -2.9769 -2.9769 -2.2291 -2.2291 -2.2274 -2.2274 -2.2093 -2.2093 -2.1182 -2.1182 -2.1142 -2.1142 -2.0777 -2.0777 -1.9580 -1.9580 -1.8819 -1.8819 -1.8790 -1.8790 2.7664 2.7664 8.7566 8.7566 9.0278 9.0278 10.4310 10.4310 10.5086 10.5086 11.0184 11.0184 13.7968 13.7968 13.8478 13.8478 14.2170 14.2170 15.0202 15.0202 15.1488 15.1488 k = 0.0612 0.0612-0.0000 ( 2905 PWs) bands (ev): -30.6728 -30.6728 -11.6989 -11.6989 -10.2704 -10.2704 -10.2692 -10.2692 -3.0635 -3.0635 -3.0619 -3.0619 -3.0507 -3.0507 -3.0134 -3.0134 -2.9780 -2.9780 -2.9777 -2.9777 -2.2299 -2.2299 -2.2286 -2.2286 -2.2098 -2.2098 -2.1176 -2.1176 -2.1147 -2.1147 -2.0764 -2.0764 -1.9567 -1.9567 -1.8792 -1.8792 -1.8770 -1.8770 2.7444 2.7444 8.8501 8.8501 9.0748 9.0748 10.4239 10.4239 10.4981 10.4981 10.8956 10.8956 13.8770 13.8770 13.9193 13.9193 14.1890 14.1890 15.0745 15.0745 15.0885 15.0885 k = 0.0510 0.0510-0.0000 ( 2921 PWs) bands (ev): -30.6729 -30.6729 -11.6987 -11.6987 -10.2698 -10.2698 -10.2690 -10.2690 -3.0643 -3.0643 -3.0632 -3.0632 -3.0520 -3.0520 -3.0146 -3.0146 -2.9786 -2.9786 -2.9783 -2.9783 -2.2306 -2.2306 -2.2297 -2.2297 -2.2102 -2.2102 -2.1170 -2.1170 -2.1150 -2.1150 -2.0753 -2.0753 -1.9556 -1.9556 -1.8769 -1.8769 -1.8753 -1.8753 2.7257 2.7257 8.9398 8.9398 9.1149 9.1149 10.4186 10.4186 10.4887 10.4887 10.7821 10.7821 13.9427 13.9427 13.9821 13.9821 14.1655 14.1655 15.0110 15.0110 15.1727 15.1727 k = 0.0408 0.0408-0.0000 ( 2925 PWs) bands (ev): -30.6729 -30.6729 -11.6984 -11.6984 -10.2694 -10.2694 -10.2688 -10.2688 -3.0650 -3.0650 -3.0643 -3.0643 -3.0531 -3.0531 -3.0155 -3.0155 -2.9790 -2.9790 -2.9789 -2.9789 -2.2312 -2.2312 -2.2306 -2.2306 -2.2105 -2.2105 -2.1166 -2.1166 -2.1153 -2.1153 -2.0743 -2.0743 -1.9548 -1.9548 -1.8750 -1.8750 -1.8740 -1.8740 2.7105 2.7105 9.0230 9.0230 9.1479 9.1479 10.4148 10.4148 10.4790 10.4790 10.6817 10.6817 13.9969 13.9969 14.0321 14.0321 14.1468 14.1468 14.9583 14.9583 15.2733 15.2733 k = 0.0306 0.0306-0.0000 ( 2925 PWs) bands (ev): -30.6729 -30.6729 -11.6983 -11.6983 -10.2690 -10.2690 -10.2687 -10.2687 -3.0656 -3.0656 -3.0651 -3.0651 -3.0539 -3.0539 -3.0163 -3.0163 -2.9794 -2.9794 -2.9793 -2.9793 -2.2316 -2.2316 -2.2313 -2.2313 -2.2108 -2.2108 -2.1162 -2.1162 -2.1155 -2.1155 -2.0736 -2.0736 -1.9541 -1.9541 -1.8735 -1.8735 -1.8729 -1.8729 2.6986 2.6986 9.0963 9.0963 9.1736 9.1736 10.4123 10.4123 10.4657 10.4657 10.6012 10.6012 14.0399 14.0399 14.0676 14.0676 14.1337 14.1337 14.9172 14.9172 15.3875 15.3875 k = 0.0204 0.0204-0.0000 ( 2929 PWs) bands (ev): -30.6729 -30.6729 -11.6981 -11.6981 -10.2687 -10.2687 -10.2686 -10.2686 -3.0660 -3.0660 -3.0658 -3.0658 -3.0545 -3.0545 -3.0169 -3.0169 -2.9796 -2.9796 -2.9796 -2.9796 -2.2319 -2.2319 -2.2318 -2.2318 -2.2109 -2.2109 -2.1160 -2.1160 -2.1156 -2.1156 -2.0731 -2.0731 -1.9536 -1.9536 -1.8724 -1.8724 -1.8721 -1.8721 2.6901 2.6901 9.1549 9.1549 9.1920 9.1920 10.4107 10.4107 10.4443 10.4443 10.5494 10.5494 14.0710 14.0710 14.0881 14.0881 14.1282 14.1282 14.8879 14.8879 15.5105 15.5105 k = 0.0102 0.0102-0.0000 ( 2937 PWs) bands (ev): -30.6730 -30.6730 -11.6981 -11.6981 -10.2686 -10.2686 -10.2685 -10.2685 -3.0662 -3.0662 -3.0661 -3.0661 -3.0549 -3.0549 -3.0172 -3.0172 -2.9798 -2.9798 -2.9798 -2.9798 -2.2321 -2.2321 -2.2321 -2.2321 -2.2111 -2.2111 -2.1158 -2.1158 -2.1157 -2.1157 -2.0727 -2.0727 -1.9533 -1.9533 -1.8717 -1.8717 -1.8717 -1.8717 2.6850 2.6850 9.1932 9.1932 9.2030 9.2030 10.4098 10.4098 10.4201 10.4201 10.5266 10.5266 14.0894 14.0894 14.0947 14.0947 14.1304 14.1304 14.8703 14.8703 15.6316 15.6316 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -30.6730 -30.6730 -11.6980 -11.6980 -10.2685 -10.2685 -10.2685 -10.2685 -3.0663 -3.0663 -3.0663 -3.0663 -3.0550 -3.0550 -3.0173 -3.0173 -2.9799 -2.9799 -2.9799 -2.9799 -2.2322 -2.2322 -2.2322 -2.2322 -2.2111 -2.2111 -2.1158 -2.1158 -2.1158 -2.1158 -2.0726 -2.0726 -1.9532 -1.9532 -1.8715 -1.8715 -1.8715 -1.8715 2.6833 2.6833 9.2067 9.2067 9.2067 9.2067 10.4096 10.4096 10.4096 10.4096 10.5208 10.5208 14.0954 14.0954 14.0954 14.0954 14.1327 14.1327 14.8645 14.8645 15.7012 15.7012 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -30.6730 -30.6730 -11.6980 -11.6980 -10.2685 -10.2685 -10.2685 -10.2685 -3.0663 -3.0663 -3.0663 -3.0663 -3.0550 -3.0550 -3.0173 -3.0173 -2.9799 -2.9799 -2.9799 -2.9799 -2.2322 -2.2322 -2.2322 -2.2322 -2.2111 -2.2111 -2.1158 -2.1158 -2.1158 -2.1158 -2.0726 -2.0726 -1.9532 -1.9532 -1.8715 -1.8715 -1.8715 -1.8715 2.6833 2.6833 9.2067 9.2067 9.2067 9.2067 10.4096 10.4096 10.4096 10.4096 10.5208 10.5208 14.0954 14.0954 14.0954 14.0954 14.1327 14.1327 14.8645 14.8645 15.7012 15.7012 k = 0.0083 0.0083 0.0083 ( 2939 PWs) bands (ev): -30.6730 -30.6730 -11.6981 -11.6981 -10.2686 -10.2686 -10.2685 -10.2685 -3.0662 -3.0662 -3.0662 -3.0662 -3.0549 -3.0549 -3.0172 -3.0172 -2.9798 -2.9798 -2.9798 -2.9798 -2.2321 -2.2321 -2.2321 -2.2321 -2.2111 -2.2111 -2.1158 -2.1158 -2.1157 -2.1157 -2.0727 -2.0727 -1.9533 -1.9533 -1.8717 -1.8717 -1.8717 -1.8717 2.6850 2.6850 9.1979 9.1979 9.1983 9.1983 10.4093 10.4093 10.4207 10.4207 10.5266 10.5266 14.0892 14.0892 14.0948 14.0948 14.1305 14.1305 14.8703 14.8703 15.6434 15.6434 k = 0.0167 0.0167 0.0167 ( 2933 PWs) bands (ev): -30.6729 -30.6729 -11.6981 -11.6981 -10.2687 -10.2687 -10.2686 -10.2686 -3.0659 -3.0659 -3.0659 -3.0659 -3.0545 -3.0545 -3.0169 -3.0169 -2.9796 -2.9796 -2.9796 -2.9796 -2.2319 -2.2319 -2.2319 -2.2319 -2.2109 -2.2109 -2.1160 -2.1160 -2.1156 -2.1156 -2.0731 -2.0731 -1.9536 -1.9536 -1.8723 -1.8723 -1.8722 -1.8722 2.6901 2.6901 9.1725 9.1725 9.1741 9.1741 10.4043 10.4043 10.4529 10.4529 10.5476 10.5476 14.0704 14.0704 14.0869 14.0869 14.1297 14.1297 14.8880 14.8880 15.5429 15.5429 k = 0.0250 0.0250 0.0250 ( 2927 PWs) bands (ev): -30.6729 -30.6729 -11.6983 -11.6983 -10.2689 -10.2689 -10.2688 -10.2688 -3.0654 -3.0654 -3.0653 -3.0653 -3.0539 -3.0539 -3.0163 -3.0163 -2.9794 -2.9794 -2.9793 -2.9793 -2.2315 -2.2315 -2.2315 -2.2315 -2.2108 -2.2108 -2.1163 -2.1163 -2.1154 -2.1154 -2.0736 -2.0736 -1.9541 -1.9541 -1.8733 -1.8733 -1.8731 -1.8731 2.6986 2.6986 9.1329 9.1329 9.1361 9.1361 10.3881 10.3881 10.5039 10.5039 10.5882 10.5882 14.0388 14.0388 14.0631 14.0631 14.1379 14.1379 14.9177 14.9177 15.4429 15.4429 k = 0.0333 0.0333 0.0333 ( 2927 PWs) bands (ev): -30.6729 -30.6729 -11.6984 -11.6984 -10.2692 -10.2692 -10.2690 -10.2690 -3.0647 -3.0647 -3.0646 -3.0646 -3.0531 -3.0531 -3.0155 -3.0155 -2.9790 -2.9790 -2.9789 -2.9789 -2.2309 -2.2309 -2.2309 -2.2309 -2.2105 -2.2105 -2.1167 -2.1167 -2.1152 -2.1152 -2.0743 -2.0743 -1.9548 -1.9548 -1.8746 -1.8746 -1.8744 -1.8744 2.7105 2.7105 9.0821 9.0821 9.0871 9.0871 10.3601 10.3601 10.5705 10.5705 10.6471 10.6471 13.9943 13.9943 14.0245 14.0245 14.1531 14.1531 14.9598 14.9598 15.3518 15.3518 k = 0.0417 0.0417 0.0417 ( 2921 PWs) bands (ev): -30.6729 -30.6729 -11.6987 -11.6987 -10.2696 -10.2696 -10.2692 -10.2692 -3.0638 -3.0638 -3.0637 -3.0637 -3.0520 -3.0520 -3.0146 -3.0146 -2.9786 -2.9786 -2.9783 -2.9783 -2.2302 -2.2302 -2.2302 -2.2302 -2.2102 -2.2102 -2.1172 -2.1172 -2.1148 -2.1148 -2.0753 -2.0753 -1.9557 -1.9557 -1.8763 -1.8763 -1.8760 -1.8760 2.7258 2.7258 9.0232 9.0232 9.0298 9.0298 10.3221 10.3221 10.6496 10.6496 10.7203 10.7203 13.9369 13.9369 13.9732 13.9732 14.1721 14.1721 15.0146 15.0146 15.2724 15.2724 k = 0.0500 0.0500 0.0500 ( 2915 PWs) bands (ev): -30.6728 -30.6728 -11.6989 -11.6989 -10.2701 -10.2701 -10.2695 -10.2695 -3.0627 -3.0627 -3.0626 -3.0626 -3.0507 -3.0507 -3.0134 -3.0134 -2.9781 -2.9781 -2.9776 -2.9776 -2.2293 -2.2293 -2.2293 -2.2293 -2.2098 -2.2098 -2.1178 -2.1178 -2.1144 -2.1144 -2.0764 -2.0764 -1.9568 -1.9568 -1.8783 -1.8783 -1.8779 -1.8779 2.7444 2.7444 8.9587 8.9587 8.9666 8.9666 10.2758 10.2758 10.7385 10.7385 10.8044 10.8044 13.8675 13.8675 13.9102 13.9102 14.1931 14.1931 15.0820 15.0820 15.2055 15.2055 k = 0.0583 0.0583 0.0583 ( 2915 PWs) bands (ev): -30.6728 -30.6728 -11.6992 -11.6992 -10.2706 -10.2706 -10.2699 -10.2699 -3.0615 -3.0615 -3.0613 -3.0613 -3.0493 -3.0493 -3.0119 -3.0119 -2.9774 -2.9774 -2.9769 -2.9769 -2.2283 -2.2283 -2.2283 -2.2283 -2.2093 -2.2093 -2.1186 -2.1186 -2.1139 -2.1139 -2.0778 -2.0778 -1.9581 -1.9581 -1.8807 -1.8807 -1.8802 -1.8802 2.7665 2.7665 8.8905 8.8905 8.8994 8.8994 10.2228 10.2228 10.8351 10.8351 10.8967 10.8967 13.7871 13.7871 13.8370 13.8370 14.2151 14.2151 15.1509 15.1509 15.1602 15.1602 k = 0.0667 0.0667 0.0667 ( 2909 PWs) bands (ev): -30.6728 -30.6728 -11.6996 -11.6996 -10.2712 -10.2712 -10.2703 -10.2703 -3.0602 -3.0602 -3.0599 -3.0599 -3.0476 -3.0476 -3.0103 -3.0103 -2.9767 -2.9767 -2.9759 -2.9759 -2.2271 -2.2271 -2.2271 -2.2271 -2.2088 -2.2088 -2.1194 -2.1194 -2.1133 -2.1133 -2.0792 -2.0792 -1.9596 -1.9596 -1.8833 -1.8833 -1.8828 -1.8828 2.7918 2.7918 8.8201 8.8201 8.8297 8.8297 10.1643 10.1643 10.9377 10.9377 10.9952 10.9952 13.6976 13.6976 13.7550 13.7550 14.2372 14.2372 15.1076 15.1076 15.1788 15.1788 k = 0.0750 0.0750 0.0750 ( 2909 PWs) bands (ev): -30.6727 -30.6727 -11.7000 -11.7000 -10.2719 -10.2719 -10.2707 -10.2707 -3.0587 -3.0587 -3.0583 -3.0583 -3.0458 -3.0458 -3.0086 -3.0086 -2.9759 -2.9759 -2.9749 -2.9749 -2.2258 -2.2258 -2.2258 -2.2258 -2.2082 -2.2082 -2.1204 -2.1204 -2.1126 -2.1126 -2.0809 -2.0809 -1.9613 -1.9613 -1.8863 -1.8863 -1.8857 -1.8857 2.8206 2.8206 8.7485 8.7485 8.7586 8.7586 10.1014 10.1014 11.0448 11.0448 11.0982 11.0982 13.6010 13.6010 13.6662 13.6662 14.2591 14.2591 15.0744 15.0744 15.1464 15.1464 k = 0.0833 0.0833 0.0833 ( 2900 PWs) bands (ev): -30.6727 -30.6727 -11.7004 -11.7004 -10.2727 -10.2727 -10.2712 -10.2712 -3.0571 -3.0571 -3.0566 -3.0566 -3.0438 -3.0438 -3.0066 -3.0066 -2.9750 -2.9750 -2.9738 -2.9738 -2.2244 -2.2244 -2.2243 -2.2243 -2.2076 -2.2076 -2.1214 -2.1214 -2.1117 -2.1117 -2.0827 -2.0827 -1.9632 -1.9632 -1.8894 -1.8894 -1.8889 -1.8889 2.8526 2.8526 8.6767 8.6767 8.6870 8.6870 10.0350 10.0350 11.1552 11.1552 11.2044 11.2044 13.4994 13.4994 13.5725 13.5725 14.2804 14.2804 15.0498 15.0498 15.1207 15.1207 k = 0.0917 0.0917 0.0917 ( 2900 PWs) bands (ev): -30.6727 -30.6727 -11.7009 -11.7009 -10.2735 -10.2735 -10.2717 -10.2717 -3.0553 -3.0553 -3.0549 -3.0549 -3.0417 -3.0417 -3.0044 -3.0044 -2.9740 -2.9740 -2.9725 -2.9725 -2.2230 -2.2230 -2.2228 -2.2228 -2.2068 -2.2068 -2.1226 -2.1226 -2.1108 -2.1108 -2.0846 -2.0846 -1.9654 -1.9654 -1.8928 -1.8928 -1.8924 -1.8924 2.8880 2.8880 8.6052 8.6052 8.6154 8.6154 9.9661 9.9661 11.2675 11.2675 11.3121 11.3121 13.3952 13.3952 13.4762 13.4762 14.3011 14.3011 15.0326 15.0326 15.1020 15.1020 k = 0.1000 0.1000 0.1000 ( 2906 PWs) bands (ev): -30.6726 -30.6726 -11.7014 -11.7014 -10.2744 -10.2744 -10.2723 -10.2723 -3.0536 -3.0536 -3.0530 -3.0530 -3.0394 -3.0394 -3.0022 -3.0022 -2.9730 -2.9730 -2.9711 -2.9711 -2.2214 -2.2214 -2.2211 -2.2211 -2.2061 -2.2061 -2.1239 -2.1239 -2.1097 -2.1097 -2.0866 -2.0866 -1.9679 -1.9679 -1.8963 -1.8963 -1.8961 -1.8961 2.9266 2.9266 8.5344 8.5344 8.5444 8.5444 9.8955 9.8955 11.3805 11.3805 11.4200 11.4200 13.2904 13.2904 13.3795 13.3795 14.3211 14.3211 15.0214 15.0214 15.0894 15.0894 k = 0.1083 0.1083 0.1083 ( 2902 PWs) bands (ev): -30.6726 -30.6726 -11.7019 -11.7019 -10.2753 -10.2753 -10.2729 -10.2729 -3.0517 -3.0517 -3.0510 -3.0510 -3.0371 -3.0371 -2.9998 -2.9998 -2.9719 -2.9719 -2.9696 -2.9696 -2.2198 -2.2198 -2.2193 -2.2193 -2.2053 -2.2053 -2.1253 -2.1253 -2.1085 -2.1085 -2.0887 -2.0887 -1.9705 -1.9705 -1.9001 -1.9001 -1.8999 -1.8999 2.9685 2.9685 8.4647 8.4647 8.4744 8.4744 9.8239 9.8239 11.4923 11.4923 11.5261 11.5261 13.1878 13.1878 13.2849 13.2849 14.3406 14.3406 15.0154 15.0154 15.0820 15.0820 k = 0.1167 0.1167 0.1167 ( 2902 PWs) bands (ev): -30.6725 -30.6725 -11.7025 -11.7025 -10.2762 -10.2762 -10.2736 -10.2736 -3.0498 -3.0498 -3.0490 -3.0490 -3.0346 -3.0346 -2.9973 -2.9973 -2.9707 -2.9707 -2.9680 -2.9680 -2.2181 -2.2181 -2.2174 -2.2174 -2.2044 -2.2044 -2.1267 -2.1267 -2.1072 -2.1072 -2.0908 -2.0908 -1.9735 -1.9735 -1.9043 -1.9043 -1.9036 -1.9036 3.0136 3.0136 8.3964 8.3964 8.4055 8.4055 9.7519 9.7519 11.6005 11.6005 11.6280 11.6280 13.0901 13.0901 13.1956 13.1956 14.3593 14.3593 15.0137 15.0137 15.0791 15.0791 k = 0.1250 0.1250 0.1250 ( 2896 PWs) bands (ev): -30.6725 -30.6725 -11.7030 -11.7030 -10.2772 -10.2772 -10.2742 -10.2742 -3.0479 -3.0479 -3.0470 -3.0470 -3.0321 -3.0321 -2.9947 -2.9947 -2.9695 -2.9695 -2.9662 -2.9662 -2.2164 -2.2164 -2.2155 -2.2155 -2.2035 -2.2035 -2.1283 -2.1283 -2.1057 -2.1057 -2.0929 -2.0929 -1.9768 -1.9768 -1.9087 -1.9087 -1.9073 -1.9073 3.0619 3.0619 8.3296 8.3296 8.3381 8.3381 9.6802 9.6802 11.7018 11.7018 11.7222 11.7222 13.0013 13.0013 13.1153 13.1153 14.3774 14.3774 15.0157 15.0157 15.0800 15.0800 k = 0.1333 0.1333 0.1333 ( 2902 PWs) bands (ev): -30.6724 -30.6724 -11.7036 -11.7036 -10.2782 -10.2782 -10.2749 -10.2749 -3.0460 -3.0460 -3.0450 -3.0450 -3.0296 -3.0296 -2.9921 -2.9921 -2.9683 -2.9683 -2.9644 -2.9644 -2.2147 -2.2147 -2.2134 -2.2134 -2.2025 -2.2025 -2.1299 -2.1299 -2.1040 -2.1040 -2.0950 -2.0950 -1.9803 -1.9803 -1.9133 -1.9133 -1.9109 -1.9109 3.1134 3.1134 8.2644 8.2644 8.2722 8.2722 9.6092 9.6092 11.7909 11.7909 11.8040 11.8040 12.9268 12.9268 13.0489 13.0489 14.3944 14.3944 15.0209 15.0209 15.0842 15.0842 k = 0.1417 0.1417 0.1417 ( 2899 PWs) bands (ev): -30.6724 -30.6724 -11.7043 -11.7043 -10.2792 -10.2792 -10.2756 -10.2756 -3.0441 -3.0441 -3.0429 -3.0429 -3.0270 -3.0270 -2.9895 -2.9895 -2.9671 -2.9671 -2.9625 -2.9625 -2.2131 -2.2131 -2.2113 -2.2113 -2.2015 -2.2015 -2.1315 -2.1315 -2.1022 -2.1022 -2.0970 -2.0970 -1.9842 -1.9842 -1.9181 -1.9181 -1.9145 -1.9145 3.1680 3.1680 8.2010 8.2010 8.2081 8.2081 9.5393 9.5393 11.8604 11.8604 11.8674 11.8674 12.8744 12.8744 13.0028 13.0028 14.4102 14.4102 15.0290 15.0290 15.0914 15.0914 k = 0.1500 0.1500 0.1500 ( 2893 PWs) bands (ev): -30.6723 -30.6723 -11.7049 -11.7049 -10.2802 -10.2802 -10.2764 -10.2764 -3.0422 -3.0422 -3.0409 -3.0409 -3.0245 -3.0245 -2.9869 -2.9869 -2.9659 -2.9659 -2.9604 -2.9604 -2.2116 -2.2116 -2.2091 -2.2091 -2.2005 -2.2005 -2.1333 -2.1333 -2.1002 -2.1002 -2.0990 -2.0990 -1.9883 -1.9883 -1.9229 -1.9229 -1.9180 -1.9180 3.2257 3.2257 8.1395 8.1395 8.1457 8.1457 9.4711 9.4711 11.9017 11.9017 11.9059 11.9059 12.8526 12.8526 12.9835 12.9835 14.4239 14.4239 15.0396 15.0396 15.1012 15.1012 k = 0.1583 0.1583 0.1583 ( 2893 PWs) bands (ev): -30.6722 -30.6722 -11.7055 -11.7055 -10.2813 -10.2813 -10.2771 -10.2771 -3.0404 -3.0404 -3.0389 -3.0389 -3.0219 -3.0219 -2.9844 -2.9844 -2.9647 -2.9647 -2.9584 -2.9584 -2.2101 -2.2101 -2.2068 -2.2068 -2.1994 -2.1994 -2.1350 -2.1350 -2.1008 -2.1008 -2.0980 -2.0980 -1.9928 -1.9928 -1.9279 -1.9279 -1.9213 -1.9213 3.2864 3.2864 8.0799 8.0799 8.0852 8.0852 9.4047 9.4047 11.9088 11.9088 11.9151 11.9151 12.8674 12.8674 12.9953 12.9953 14.4345 14.4345 15.0525 15.0525 15.1133 15.1133 k = 0.1667 0.1667 0.1667 ( 2905 PWs) bands (ev): -30.6722 -30.6722 -11.7062 -11.7062 -10.2823 -10.2823 -10.2779 -10.2779 -3.0387 -3.0387 -3.0369 -3.0369 -3.0194 -3.0194 -2.9819 -2.9819 -2.9635 -2.9635 -2.9562 -2.9562 -2.2089 -2.2089 -2.2045 -2.2045 -2.1984 -2.1984 -2.1367 -2.1367 -2.1024 -2.1024 -2.0957 -2.0957 -1.9976 -1.9976 -1.9330 -1.9330 -1.9244 -1.9244 3.3501 3.3501 8.0223 8.0223 8.0267 8.0267 9.3407 9.3407 11.8826 11.8826 11.8954 11.8954 12.9180 12.9180 13.0379 13.0379 14.4399 14.4399 15.0675 15.0675 15.1273 15.1273 k = 0.1750 0.1750 0.1750 ( 2893 PWs) bands (ev): -30.6721 -30.6721 -11.7068 -11.7068 -10.2833 -10.2833 -10.2787 -10.2787 -3.0370 -3.0370 -3.0349 -3.0349 -3.0169 -3.0169 -2.9794 -2.9794 -2.9624 -2.9624 -2.9540 -2.9540 -2.2078 -2.2078 -2.2021 -2.2021 -2.1973 -2.1973 -2.1384 -2.1384 -2.1038 -2.1038 -2.0932 -2.0932 -2.0027 -2.0027 -1.9381 -1.9381 -1.9273 -1.9273 3.4168 3.4168 7.9667 7.9667 7.9701 7.9701 9.2792 9.2792 11.8302 11.8302 11.8513 11.8513 12.9969 12.9969 13.1062 13.1062 14.4364 14.4364 15.0846 15.0846 15.1425 15.1425 k = 0.1833 0.1833 0.1833 ( 2881 PWs) bands (ev): -30.6720 -30.6720 -11.7074 -11.7074 -10.2844 -10.2844 -10.2795 -10.2795 -3.0353 -3.0353 -3.0330 -3.0330 -3.0146 -3.0146 -2.9771 -2.9771 -2.9613 -2.9613 -2.9518 -2.9518 -2.2069 -2.2069 -2.1997 -2.1997 -2.1963 -2.1963 -2.1400 -2.1400 -2.1050 -2.1050 -2.0905 -2.0905 -2.0079 -2.0079 -1.9433 -1.9433 -1.9299 -1.9299 3.4863 3.4863 7.9131 7.9131 7.9155 7.9155 9.2205 9.2205 11.7601 11.7601 11.7895 11.7895 13.0956 13.0956 13.1936 13.1936 14.4172 14.4172 15.1035 15.1035 15.1500 15.1500 k = 0.1917 0.1917 0.1917 ( 2881 PWs) bands (ev): -30.6720 -30.6720 -11.7081 -11.7081 -10.2854 -10.2854 -10.2802 -10.2802 -3.0338 -3.0338 -3.0311 -3.0311 -3.0123 -3.0123 -2.9748 -2.9748 -2.9604 -2.9604 -2.9497 -2.9497 -2.2063 -2.2063 -2.1973 -2.1973 -2.1953 -2.1953 -2.1415 -2.1415 -2.1059 -2.1059 -2.0877 -2.0877 -2.0135 -2.0135 -1.9484 -1.9484 -1.9324 -1.9324 3.5587 3.5587 7.8615 7.8615 7.8629 7.8629 9.1648 9.1648 11.6791 11.6791 11.7158 11.7158 13.2068 13.2068 13.2936 13.2936 14.3715 14.3715 15.0458 15.0458 15.1243 15.1243 k = 0.2000 0.2000 0.2000 ( 2884 PWs) bands (ev): -30.6719 -30.6719 -11.7087 -11.7087 -10.2863 -10.2863 -10.2810 -10.2810 -3.0323 -3.0323 -3.0293 -3.0293 -3.0101 -3.0101 -2.9727 -2.9727 -2.9596 -2.9596 -2.9476 -2.9476 -2.2060 -2.2060 -2.1948 -2.1948 -2.1944 -2.1944 -2.1428 -2.1428 -2.1065 -2.1065 -2.0847 -2.0847 -2.0191 -2.0191 -1.9535 -1.9535 -1.9346 -1.9346 3.6338 3.6338 7.8119 7.8119 7.8124 7.8124 9.1123 9.1123 11.5916 11.5916 11.6343 11.6343 13.3258 13.3258 13.4014 13.4014 14.2867 14.2867 14.9407 14.9407 15.1470 15.1470 k = 0.2083 0.2083 0.2083 ( 2878 PWs) bands (ev): -30.6718 -30.6718 -11.7093 -11.7093 -10.2873 -10.2873 -10.2818 -10.2818 -3.0310 -3.0310 -3.0275 -3.0275 -3.0081 -3.0081 -2.9706 -2.9706 -2.9589 -2.9589 -2.9456 -2.9456 -2.2060 -2.2060 -2.1937 -2.1937 -2.1923 -2.1923 -2.1439 -2.1439 -2.1068 -2.1068 -2.0817 -2.0817 -2.0249 -2.0249 -1.9585 -1.9585 -1.9366 -1.9366 3.7117 3.7117 7.7638 7.7638 7.7643 7.7643 9.0632 9.0632 11.5007 11.5007 11.5482 11.5482 13.4491 13.4491 13.5125 13.5125 14.1610 14.1610 14.8780 14.8780 15.1714 15.1714 k = 0.2167 0.2167 0.2167 ( 2890 PWs) bands (ev): -30.6718 -30.6718 -11.7100 -11.7100 -10.2882 -10.2882 -10.2826 -10.2826 -3.0297 -3.0297 -3.0259 -3.0259 -3.0062 -3.0062 -2.9687 -2.9687 -2.9583 -2.9583 -2.9438 -2.9438 -2.2064 -2.2064 -2.1931 -2.1931 -2.1897 -2.1897 -2.1447 -2.1447 -2.1068 -2.1068 -2.0786 -2.0786 -2.0308 -2.0308 -1.9634 -1.9634 -1.9383 -1.9383 3.7921 3.7921 7.7173 7.7173 7.7188 7.7188 9.0176 9.0176 11.4082 11.4082 11.4596 11.4596 13.5742 13.5742 13.6208 13.6208 14.0082 14.0082 14.8487 14.8487 15.1977 15.1977 k = 0.2250 0.2250 0.2250 ( 2890 PWs) bands (ev): -30.6717 -30.6717 -11.7105 -11.7105 -10.2890 -10.2890 -10.2833 -10.2833 -3.0285 -3.0285 -3.0242 -3.0242 -3.0045 -3.0045 -2.9668 -2.9668 -2.9580 -2.9580 -2.9421 -2.9421 -2.2070 -2.2070 -2.1927 -2.1927 -2.1872 -2.1872 -2.1453 -2.1453 -2.1065 -2.1065 -2.0754 -2.0754 -2.0366 -2.0366 -1.9681 -1.9681 -1.9399 -1.9399 3.8752 3.8752 7.6728 7.6728 7.6752 7.6752 8.9757 8.9757 11.3153 11.3153 11.3697 11.3697 13.6947 13.6947 13.6994 13.6994 13.8711 13.8711 14.8398 14.8398 15.2260 15.2260 k = 0.2333 0.2333 0.2333 ( 2884 PWs) bands (ev): -30.6716 -30.6716 -11.7111 -11.7111 -10.2899 -10.2899 -10.2841 -10.2841 -3.0275 -3.0275 -3.0227 -3.0227 -3.0029 -3.0029 -2.9651 -2.9651 -2.9578 -2.9578 -2.9406 -2.9406 -2.2079 -2.2079 -2.1926 -2.1926 -2.1846 -2.1846 -2.1455 -2.1455 -2.1058 -2.1058 -2.0723 -2.0723 -2.0424 -2.0424 -1.9726 -1.9726 -1.9412 -1.9412 3.9607 3.9607 7.6302 7.6302 7.6336 7.6336 8.9376 8.9376 11.2228 11.2228 11.2797 11.2797 13.5932 13.5932 13.8230 13.8230 13.8980 13.8980 14.8426 14.8426 15.2561 15.2561 k = 0.2417 0.2417 0.2417 ( 2872 PWs) bands (ev): -30.6715 -30.6715 -11.7117 -11.7117 -10.2907 -10.2907 -10.2848 -10.2848 -3.0265 -3.0265 -3.0213 -3.0213 -3.0015 -3.0015 -2.9635 -2.9635 -2.9578 -2.9578 -2.9393 -2.9393 -2.2091 -2.2091 -2.1927 -2.1927 -2.1819 -2.1819 -2.1455 -2.1455 -2.1049 -2.1049 -2.0692 -2.0692 -2.0481 -2.0481 -1.9767 -1.9767 -1.9424 -1.9424 4.0486 4.0486 7.5897 7.5897 7.5938 7.5938 8.9034 8.9034 11.1314 11.1314 11.1901 11.1901 13.4112 13.4112 13.9437 13.9437 13.9977 13.9977 14.8519 14.8519 15.2884 15.2884 k = 0.2500 0.2500 0.2500 ( 2860 PWs) bands (ev): -30.6715 -30.6715 -11.7122 -11.7122 -10.2914 -10.2914 -10.2856 -10.2856 -3.0256 -3.0256 -3.0199 -3.0199 -3.0002 -3.0002 -2.9619 -2.9619 -2.9579 -2.9579 -2.9382 -2.9382 -2.2106 -2.2106 -2.1931 -2.1931 -2.1793 -2.1793 -2.1451 -2.1451 -2.1038 -2.1038 -2.0663 -2.0663 -2.0537 -2.0537 -1.9804 -1.9804 -1.9433 -1.9433 4.1388 4.1388 7.5510 7.5510 7.5561 7.5561 8.8731 8.8731 11.0415 11.0415 11.1015 11.1015 13.2181 13.2181 14.0603 14.0603 14.1023 14.1023 14.8649 14.8649 15.3227 15.3227 k = 0.2583 0.2583 0.2583 ( 2881 PWs) bands (ev): -30.6714 -30.6714 -11.7127 -11.7127 -10.2921 -10.2921 -10.2863 -10.2863 -3.0248 -3.0248 -3.0187 -3.0187 -2.9992 -2.9992 -2.9606 -2.9606 -2.9583 -2.9583 -2.9373 -2.9373 -2.2123 -2.2123 -2.1939 -2.1939 -2.1766 -2.1766 -2.1444 -2.1444 -2.1024 -2.1024 -2.0638 -2.0638 -2.0590 -2.0590 -1.9835 -1.9835 -1.9440 -1.9440 4.2313 4.2313 7.5143 7.5143 7.5201 7.5201 8.8468 8.8468 10.9533 10.9533 11.0142 11.0142 13.0222 13.0222 14.1716 14.1716 14.2041 14.2041 14.8799 14.8799 15.3593 15.3593 k = 0.2667 0.2667 0.2667 ( 2881 PWs) bands (ev): -30.6714 -30.6714 -11.7132 -11.7132 -10.2927 -10.2927 -10.2869 -10.2869 -3.0241 -3.0241 -3.0175 -3.0175 -2.9983 -2.9983 -2.9593 -2.9593 -2.9589 -2.9589 -2.9367 -2.9367 -2.2142 -2.2142 -2.1949 -2.1949 -2.1740 -2.1740 -2.1434 -2.1434 -2.1010 -2.1010 -2.0640 -2.0640 -2.0616 -2.0616 -1.9861 -1.9861 -1.9446 -1.9446 4.3260 4.3260 7.4795 7.4795 7.4860 7.4860 8.8245 8.8245 10.8672 10.8672 10.9286 10.9286 12.8260 12.8260 14.2765 14.2765 14.3007 14.3007 14.8956 14.8956 15.3981 15.3981 k = 0.2750 0.2750 0.2750 ( 2887 PWs) bands (ev): -30.6713 -30.6713 -11.7137 -11.7137 -10.2933 -10.2933 -10.2876 -10.2876 -3.0235 -3.0235 -3.0165 -3.0165 -2.9975 -2.9975 -2.9597 -2.9597 -2.9581 -2.9581 -2.9364 -2.9364 -2.2162 -2.2162 -2.1963 -2.1963 -2.1713 -2.1713 -2.1421 -2.1421 -2.0995 -2.0995 -2.0686 -2.0686 -2.0600 -2.0600 -1.9878 -1.9878 -1.9449 -1.9449 4.4226 4.4226 7.4465 7.4465 7.4537 7.4537 8.8062 8.8062 10.7832 10.7832 10.8449 10.8449 12.6306 12.6306 14.3741 14.3741 14.3911 14.3911 14.9111 14.9111 15.4391 15.4391 k = 0.2833 0.2833 0.2833 ( 2893 PWs) bands (ev): -30.6713 -30.6713 -11.7141 -11.7141 -10.2938 -10.2938 -10.2882 -10.2882 -3.0230 -3.0230 -3.0156 -3.0156 -2.9970 -2.9970 -2.9607 -2.9607 -2.9571 -2.9571 -2.9363 -2.9363 -2.2183 -2.2183 -2.1979 -2.1979 -2.1687 -2.1687 -2.1406 -2.1406 -2.0982 -2.0982 -2.0726 -2.0726 -2.0590 -2.0590 -1.9887 -1.9887 -1.9451 -1.9451 4.5213 4.5213 7.4153 7.4153 7.4232 7.4232 8.7919 8.7919 10.7016 10.7016 10.7633 10.7633 12.4365 12.4365 14.4638 14.4638 14.4743 14.4743 14.9257 14.9257 15.4823 15.4823 k = 0.2917 0.2917 0.2917 ( 2896 PWs) bands (ev): -30.6712 -30.6712 -11.7146 -11.7146 -10.2943 -10.2943 -10.2888 -10.2888 -3.0226 -3.0226 -3.0148 -3.0148 -2.9965 -2.9965 -2.9619 -2.9619 -2.9562 -2.9562 -2.9364 -2.9364 -2.2206 -2.2206 -2.1998 -2.1998 -2.1660 -2.1660 -2.1389 -2.1389 -2.0972 -2.0972 -2.0758 -2.0758 -2.0588 -2.0588 -1.9886 -1.9886 -1.9450 -1.9450 4.6218 4.6218 7.3859 7.3859 7.3944 7.3944 8.7816 8.7816 10.6223 10.6223 10.6838 10.6838 12.2444 12.2444 14.5451 14.5451 14.5501 14.5501 14.9386 14.9386 15.5273 15.5273 k = 0.3000 0.3000 0.3000 ( 2896 PWs) bands (ev): -30.6712 -30.6712 -11.7150 -11.7150 -10.2947 -10.2947 -10.2894 -10.2894 -3.0222 -3.0222 -3.0142 -3.0142 -2.9962 -2.9962 -2.9632 -2.9632 -2.9555 -2.9555 -2.9367 -2.9367 -2.2228 -2.2228 -2.2019 -2.2019 -2.1634 -2.1634 -2.1371 -2.1371 -2.0970 -2.0970 -2.0779 -2.0779 -2.0593 -2.0593 -1.9877 -1.9877 -1.9448 -1.9448 4.7241 4.7241 7.3583 7.3583 7.3673 7.3673 8.7750 8.7750 10.5457 10.5457 10.6067 10.6067 12.0544 12.0544 14.6178 14.6178 14.6182 14.6182 14.9493 14.9493 15.5738 15.5738 k = 0.3083 0.3083 0.3083 ( 2902 PWs) bands (ev): -30.6711 -30.6711 -11.7153 -11.7153 -10.2951 -10.2951 -10.2900 -10.2900 -3.0220 -3.0220 -3.0137 -3.0137 -2.9960 -2.9960 -2.9648 -2.9648 -2.9548 -2.9548 -2.9373 -2.9373 -2.2252 -2.2252 -2.2042 -2.2042 -2.1608 -2.1608 -2.1352 -2.1352 -2.0977 -2.0977 -2.0787 -2.0787 -2.0604 -2.0604 -1.9858 -1.9858 -1.9443 -1.9443 4.8281 4.8281 7.3323 7.3323 7.3418 7.3418 8.7722 8.7722 10.4716 10.4716 10.5320 10.5320 11.8670 11.8670 14.6788 14.6788 14.6820 14.6820 14.9568 14.9568 15.6214 15.6214 k = 0.3167 0.3167 0.3167 ( 2911 PWs) bands (ev): -30.6711 -30.6711 -11.7157 -11.7157 -10.2954 -10.2954 -10.2905 -10.2905 -3.0218 -3.0218 -3.0133 -3.0133 -2.9959 -2.9959 -2.9664 -2.9664 -2.9543 -2.9543 -2.9381 -2.9381 -2.2275 -2.2275 -2.2066 -2.2066 -2.1582 -2.1582 -2.1332 -2.1332 -2.0992 -2.0992 -2.0784 -2.0784 -2.0620 -2.0620 -1.9833 -1.9833 -1.9437 -1.9437 4.9337 4.9337 7.3080 7.3080 7.3179 7.3179 8.7728 8.7728 10.4002 10.4002 10.4599 10.4599 11.6824 11.6824 14.7320 14.7320 14.7381 14.7381 14.9606 14.9606 15.6697 15.6697 k = 0.3250 0.3250 0.3250 ( 2905 PWs) bands (ev): -30.6710 -30.6710 -11.7160 -11.7160 -10.2956 -10.2956 -10.2910 -10.2910 -3.0216 -3.0216 -3.0132 -3.0132 -2.9959 -2.9959 -2.9682 -2.9682 -2.9539 -2.9539 -2.9390 -2.9390 -2.2298 -2.2298 -2.2092 -2.2092 -2.1557 -2.1557 -2.1313 -2.1313 -2.1012 -2.1012 -2.0771 -2.0771 -2.0641 -2.0641 -1.9801 -1.9801 -1.9429 -1.9429 5.0407 5.0407 7.2852 7.2852 7.2955 7.2955 8.7768 8.7768 10.3316 10.3316 10.3903 10.3903 11.5009 11.5009 14.7784 14.7784 14.7866 14.7866 14.9597 14.9597 15.7180 15.7180 k = 0.3333 0.3333 0.3333 ( 2905 PWs) bands (ev): -30.6710 -30.6710 -11.7163 -11.7163 -10.2959 -10.2959 -10.2915 -10.2915 -3.0216 -3.0216 -3.0131 -3.0131 -2.9959 -2.9959 -2.9702 -2.9702 -2.9536 -2.9536 -2.9400 -2.9400 -2.2321 -2.2321 -2.2119 -2.2119 -2.1533 -2.1533 -2.1295 -2.1295 -2.1032 -2.1032 -2.0755 -2.0755 -2.0665 -2.0665 -1.9765 -1.9765 -1.9420 -1.9420 5.1490 5.1490 7.2640 7.2640 7.2747 7.2747 8.7838 8.7838 10.2657 10.2657 10.3234 10.3234 11.3227 11.3227 14.8185 14.8185 14.8282 14.8282 14.9532 14.9532 15.7659 15.7659 k = 0.3417 0.3417 0.3417 ( 2911 PWs) bands (ev): -30.6709 -30.6709 -11.7165 -11.7165 -10.2960 -10.2960 -10.2920 -10.2920 -3.0216 -3.0216 -3.0133 -3.0133 -2.9960 -2.9960 -2.9722 -2.9722 -2.9534 -2.9534 -2.9412 -2.9412 -2.2344 -2.2344 -2.2146 -2.2146 -2.1509 -2.1509 -2.1278 -2.1278 -2.1051 -2.1051 -2.0736 -2.0736 -2.0691 -2.0691 -1.9726 -1.9726 -1.9408 -1.9408 5.2586 5.2586 7.2444 7.2444 7.2553 7.2553 8.7933 8.7933 10.2027 10.2027 10.2593 10.2593 11.1483 11.1483 14.8527 14.8527 14.8636 14.8636 14.9405 14.9405 15.8132 15.8132 k = 0.3500 0.3500 0.3500 ( 2911 PWs) bands (ev): -30.6709 -30.6709 -11.7168 -11.7168 -10.2962 -10.2962 -10.2924 -10.2924 -3.0216 -3.0216 -3.0136 -3.0136 -2.9961 -2.9961 -2.9742 -2.9742 -2.9533 -2.9533 -2.9425 -2.9425 -2.2366 -2.2366 -2.2173 -2.2173 -2.1487 -2.1487 -2.1263 -2.1263 -2.1066 -2.1066 -2.0718 -2.0718 -2.0716 -2.0716 -1.9685 -1.9685 -1.9396 -1.9396 5.3693 5.3693 7.2261 7.2261 7.2373 7.2373 8.8050 8.8050 10.1427 10.1427 10.1979 10.1979 10.9779 10.9779 14.8808 14.8808 14.8936 14.8936 14.9214 14.9214 15.8594 15.8594 k = 0.3583 0.3583 0.3583 ( 2908 PWs) bands (ev): -30.6708 -30.6708 -11.7170 -11.7170 -10.2963 -10.2963 -10.2928 -10.2928 -3.0217 -3.0217 -3.0141 -3.0141 -2.9963 -2.9963 -2.9763 -2.9763 -2.9533 -2.9533 -2.9439 -2.9439 -2.2387 -2.2387 -2.2201 -2.2201 -2.1465 -2.1465 -2.1252 -2.1252 -2.1077 -2.1077 -2.0745 -2.0745 -2.0695 -2.0695 -1.9642 -1.9642 -1.9382 -1.9382 5.4811 5.4811 7.2093 7.2093 7.2206 7.2206 8.8182 8.8182 10.0855 10.0855 10.1394 10.1394 10.8122 10.8122 14.8860 14.8860 14.9128 14.9128 14.9188 14.9188 15.9044 15.9044 k = 0.3667 0.3667 0.3667 ( 2902 PWs) bands (ev): -30.6708 -30.6708 -11.7172 -11.7172 -10.2963 -10.2963 -10.2931 -10.2931 -3.0219 -3.0219 -3.0147 -3.0147 -2.9964 -2.9964 -2.9784 -2.9784 -2.9534 -2.9534 -2.9453 -2.9453 -2.2408 -2.2408 -2.2228 -2.2228 -2.1444 -2.1444 -2.1246 -2.1246 -2.1082 -2.1082 -2.0772 -2.0772 -2.0675 -2.0675 -1.9598 -1.9598 -1.9366 -1.9366 5.5936 5.5936 7.1938 7.1938 7.2052 7.2052 8.8321 8.8321 10.0313 10.0313 10.0838 10.0838 10.6517 10.6517 14.8520 14.8520 14.9310 14.9310 14.9400 14.9400 15.9480 15.9480 k = 0.3750 0.3750 0.3750 ( 2902 PWs) bands (ev): -30.6707 -30.6707 -11.7173 -11.7173 -10.2964 -10.2964 -10.2935 -10.2935 -3.0221 -3.0221 -3.0154 -3.0154 -2.9966 -2.9966 -2.9806 -2.9806 -2.9537 -2.9537 -2.9467 -2.9467 -2.2429 -2.2429 -2.2254 -2.2254 -2.1425 -2.1425 -2.1245 -2.1245 -2.1081 -2.1081 -2.0798 -2.0798 -2.0655 -2.0655 -1.9555 -1.9555 -1.9350 -1.9350 5.7069 5.7069 7.1796 7.1796 7.1911 7.1911 8.8457 8.8457 9.9802 9.9802 10.0311 10.0311 10.4974 10.4974 14.8070 14.8070 14.9485 14.9485 14.9575 14.9575 15.9902 15.9902 k = 0.3833 0.3833 0.3833 ( 2917 PWs) bands (ev): -30.6707 -30.6707 -11.7175 -11.7175 -10.2964 -10.2964 -10.2938 -10.2938 -3.0223 -3.0223 -3.0162 -3.0162 -2.9968 -2.9968 -2.9826 -2.9826 -2.9540 -2.9540 -2.9480 -2.9480 -2.2448 -2.2448 -2.2280 -2.2280 -2.1407 -2.1407 -2.1247 -2.1247 -2.1076 -2.1076 -2.0823 -2.0823 -2.0636 -2.0636 -1.9512 -1.9512 -1.9334 -1.9334 5.8207 5.8207 7.1667 7.1667 7.1782 7.1782 8.8576 8.8576 9.9321 9.9321 9.9812 9.9812 10.3503 10.3503 14.7534 14.7534 14.9633 14.9633 14.9720 14.9720 16.0308 16.0308 k = 0.3917 0.3917 0.3917 ( 2923 PWs) bands (ev): -30.6707 -30.6707 -11.7176 -11.7176 -10.2964 -10.2964 -10.2941 -10.2941 -3.0226 -3.0226 -3.0171 -3.0171 -2.9970 -2.9970 -2.9847 -2.9847 -2.9545 -2.9545 -2.9493 -2.9493 -2.2466 -2.2466 -2.2304 -2.2304 -2.1390 -2.1390 -2.1252 -2.1252 -2.1068 -2.1068 -2.0846 -2.0846 -2.0618 -2.0618 -1.9470 -1.9470 -1.9317 -1.9317 5.9348 5.9348 7.1549 7.1549 7.1665 7.1665 8.8661 8.8661 9.8872 9.8872 9.9342 9.9342 10.2122 10.2122 14.6925 14.6925 14.9759 14.9759 14.9840 14.9840 16.0696 16.0696 k = 0.4000 0.4000 0.4000 ( 2917 PWs) bands (ev): -30.6707 -30.6707 -11.7177 -11.7177 -10.2963 -10.2963 -10.2943 -10.2943 -3.0229 -3.0229 -3.0181 -3.0181 -2.9972 -2.9972 -2.9866 -2.9866 -2.9551 -2.9551 -2.9503 -2.9503 -2.2484 -2.2484 -2.2327 -2.2327 -2.1375 -2.1375 -2.1259 -2.1259 -2.1058 -2.1058 -2.0868 -2.0868 -2.0601 -2.0601 -1.9430 -1.9430 -1.9299 -1.9299 6.0491 6.0491 7.1443 7.1443 7.1558 7.1558 8.8690 8.8690 9.8453 9.8453 9.8896 9.8896 10.0853 10.0853 14.6258 14.6258 14.9864 14.9864 14.9938 14.9938 16.1067 16.1067 k = 0.4083 0.4083 0.4083 ( 2917 PWs) bands (ev): -30.6706 -30.6706 -11.7178 -11.7178 -10.2963 -10.2963 -10.2946 -10.2946 -3.0233 -3.0233 -3.0191 -3.0191 -2.9974 -2.9974 -2.9884 -2.9884 -2.9558 -2.9558 -2.9513 -2.9513 -2.2500 -2.2500 -2.2349 -2.2349 -2.1362 -2.1362 -2.1266 -2.1266 -2.1047 -2.1047 -2.0888 -2.0888 -2.0585 -2.0585 -1.9392 -1.9392 -1.9282 -1.9282 6.1631 6.1631 7.1348 7.1348 7.1463 7.1463 8.8637 8.8637 9.8067 9.8067 9.8467 9.8467 9.9729 9.9729 14.5549 14.5549 14.9951 14.9951 15.0017 15.0017 16.1418 16.1418 k = 0.4167 0.4167 0.4167 ( 2905 PWs) bands (ev): -30.6706 -30.6706 -11.7179 -11.7179 -10.2962 -10.2962 -10.2948 -10.2948 -3.0236 -3.0236 -3.0201 -3.0201 -2.9975 -2.9975 -2.9902 -2.9902 -2.9567 -2.9567 -2.9520 -2.9520 -2.2516 -2.2516 -2.2369 -2.2369 -2.1350 -2.1350 -2.1273 -2.1273 -2.1036 -2.1036 -2.0905 -2.0905 -2.0570 -2.0570 -1.9356 -1.9356 -1.9265 -1.9265 6.2765 6.2765 7.1262 7.1262 7.1377 7.1377 8.8472 8.8472 9.7713 9.7713 9.8030 9.8030 9.8803 9.8803 14.4818 14.4818 15.0024 15.0024 15.0080 15.0080 16.1749 16.1749 k = 0.4250 0.4250 0.4250 ( 2911 PWs) bands (ev): -30.6706 -30.6706 -11.7180 -11.7180 -10.2962 -10.2962 -10.2950 -10.2950 -3.0240 -3.0240 -3.0211 -3.0211 -2.9977 -2.9977 -2.9917 -2.9917 -2.9577 -2.9577 -2.9526 -2.9526 -2.2530 -2.2530 -2.2387 -2.2387 -2.1341 -2.1341 -2.1280 -2.1280 -2.1025 -2.1025 -2.0921 -2.0921 -2.0556 -2.0556 -1.9322 -1.9322 -1.9249 -1.9249 6.3889 6.3889 7.1187 7.1187 7.1301 7.1301 8.8169 8.8169 9.7391 9.7391 9.7536 9.7536 9.8148 9.8148 14.4086 14.4086 15.0083 15.0083 15.0131 15.0131 16.2056 16.2056 k = 0.4333 0.4333 0.4333 ( 2911 PWs) bands (ev): -30.6705 -30.6705 -11.7181 -11.7181 -10.2961 -10.2961 -10.2951 -10.2951 -3.0244 -3.0244 -3.0221 -3.0221 -2.9979 -2.9979 -2.9932 -2.9932 -2.9586 -2.9586 -2.9530 -2.9530 -2.2543 -2.2543 -2.2404 -2.2404 -2.1332 -2.1332 -2.1286 -2.1286 -2.1015 -2.1015 -2.0934 -2.0934 -2.0544 -2.0544 -1.9292 -1.9292 -1.9234 -1.9234 6.4995 6.4995 7.1121 7.1121 7.1234 7.1234 8.7718 8.7718 9.7032 9.7032 9.7102 9.7102 9.7728 9.7728 14.3371 14.3371 15.0132 15.0132 15.0172 15.0172 16.2338 16.2338 k = 0.4417 0.4417 0.4417 ( 2914 PWs) bands (ev): -30.6705 -30.6705 -11.7181 -11.7181 -10.2960 -10.2960 -10.2953 -10.2953 -3.0248 -3.0248 -3.0230 -3.0230 -2.9981 -2.9981 -2.9945 -2.9945 -2.9596 -2.9596 -2.9534 -2.9534 -2.2554 -2.2554 -2.2418 -2.2418 -2.1326 -2.1326 -2.1291 -2.1291 -2.1007 -2.1007 -2.0946 -2.0946 -2.0533 -2.0533 -1.9264 -1.9264 -1.9220 -1.9220 6.6075 6.6075 7.1064 7.1064 7.1176 7.1176 8.7128 8.7128 9.6632 9.6632 9.6847 9.6847 9.7423 9.7423 14.2692 14.2692 15.0172 15.0172 15.0203 15.0203 16.2594 16.2594 k = 0.4500 0.4500 0.4500 ( 2914 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2960 -10.2960 -10.2954 -10.2954 -3.0251 -3.0251 -3.0238 -3.0238 -2.9982 -2.9982 -2.9956 -2.9956 -2.9604 -2.9604 -2.9537 -2.9537 -2.2564 -2.2564 -2.2431 -2.2431 -2.1321 -2.1321 -2.1296 -2.1296 -2.0999 -2.0999 -2.0955 -2.0955 -2.0524 -2.0524 -1.9240 -1.9240 -1.9208 -1.9208 6.7115 6.7115 7.1016 7.1016 7.1126 7.1126 8.6433 8.6433 9.6360 9.6360 9.6624 9.6624 9.7181 9.7181 14.2067 14.2067 15.0204 15.0204 15.0228 15.0228 16.2821 16.2821 k = 0.4583 0.4583 0.4583 ( 2908 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2959 -10.2959 -10.2955 -10.2955 -3.0254 -3.0254 -3.0245 -3.0245 -2.9983 -2.9983 -2.9965 -2.9965 -2.9612 -2.9612 -2.9540 -2.9540 -2.2573 -2.2573 -2.2442 -2.2442 -2.1317 -2.1317 -2.1300 -2.1300 -2.0992 -2.0992 -2.0962 -2.0962 -2.0515 -2.0515 -1.9219 -1.9219 -1.9196 -1.9196 6.8097 6.8097 7.0976 7.0976 7.1085 7.1085 8.5681 8.5681 9.6193 9.6193 9.6436 9.6436 9.6987 9.6987 14.1511 14.1511 15.0230 15.0230 15.0246 15.0246 16.3017 16.3017 k = 0.4667 0.4667 0.4667 ( 2908 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2959 -10.2959 -10.2956 -10.2956 -3.0257 -3.0257 -3.0251 -3.0251 -2.9985 -2.9985 -2.9973 -2.9973 -2.9618 -2.9618 -2.9542 -2.9542 -2.2580 -2.2580 -2.2451 -2.2451 -2.1314 -2.1314 -2.1304 -2.1304 -2.0987 -2.0987 -2.0968 -2.0968 -2.0509 -2.0509 -1.9201 -1.9201 -1.9187 -1.9187 6.8996 6.8996 7.0944 7.0944 7.1052 7.1052 8.4930 8.4930 9.6099 9.6099 9.6281 9.6281 9.6836 9.6836 14.1037 14.1037 15.0249 15.0249 15.0260 15.0260 16.3180 16.3180 k = 0.4750 0.4750 0.4750 ( 2884 PWs) bands (ev): -30.6704 -30.6704 -11.7182 -11.7182 -10.2958 -10.2958 -10.2957 -10.2957 -3.0259 -3.0259 -3.0256 -3.0256 -2.9985 -2.9985 -2.9979 -2.9979 -2.9623 -2.9623 -2.9543 -2.9543 -2.2586 -2.2586 -2.2458 -2.2458 -2.1312 -2.1312 -2.1306 -2.1306 -2.0982 -2.0982 -2.0972 -2.0972 -2.0503 -2.0503 -1.9188 -1.9188 -1.9180 -1.9180 6.9775 6.9775 7.0921 7.0921 7.1026 7.1026 8.4239 8.4239 9.6049 9.6049 9.6161 9.6161 9.6727 9.6727 14.0656 14.0656 15.0264 15.0264 15.0270 15.0270 16.3309 16.3309 k = 0.4833 0.4833 0.4833 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2957 -10.2957 -3.0261 -3.0261 -3.0260 -3.0260 -2.9986 -2.9986 -2.9983 -2.9983 -2.9627 -2.9627 -2.9545 -2.9545 -2.2590 -2.2590 -2.2462 -2.2462 -2.1311 -2.1311 -2.1308 -2.1308 -2.0979 -2.0979 -2.0975 -2.0975 -2.0500 -2.0500 -1.9178 -1.9178 -1.9174 -1.9174 7.0386 7.0386 7.0910 7.0910 7.1008 7.1008 8.3675 8.3675 9.6023 9.6023 9.6075 9.6075 9.6656 9.6656 14.0378 14.0378 15.0274 15.0274 15.0277 15.0277 16.3402 16.3403 k = 0.4917 0.4917 0.4917 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2957 -10.2957 -3.0262 -3.0262 -3.0262 -3.0262 -2.9987 -2.9987 -2.9986 -2.9986 -2.9629 -2.9629 -2.9545 -2.9545 -2.2592 -2.2592 -2.2465 -2.2465 -2.1310 -2.1310 -2.1309 -2.1309 -2.0978 -2.0978 -2.0976 -2.0976 -2.0497 -2.0497 -1.9172 -1.9172 -1.9171 -1.9171 7.0754 7.0754 7.0932 7.0932 7.0997 7.0997 8.3301 8.3301 9.6010 9.6010 9.6023 9.6023 9.6616 9.6616 14.0208 14.0208 15.0280 15.0280 15.0280 15.0280 16.3463 16.3467 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2958 -10.2958 -3.0263 -3.0263 -3.0263 -3.0263 -2.9987 -2.9987 -2.9987 -2.9987 -2.9630 -2.9630 -2.9545 -2.9545 -2.2593 -2.2593 -2.2466 -2.2466 -2.1310 -2.1310 -2.1310 -2.1310 -2.0977 -2.0977 -2.0977 -2.0977 -2.0497 -2.0497 -1.9170 -1.9170 -1.9170 -1.9170 7.0829 7.0829 7.0993 7.0993 7.0993 7.0993 8.3169 8.3169 9.6006 9.6006 9.6006 9.6006 9.6604 9.6604 14.0151 14.0151 15.0282 15.0282 15.0282 15.0282 16.3478 16.3478 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2958 -10.2958 -3.0263 -3.0263 -3.0263 -3.0263 -2.9987 -2.9987 -2.9987 -2.9987 -2.9630 -2.9630 -2.9545 -2.9545 -2.2593 -2.2593 -2.2466 -2.2466 -2.1310 -2.1310 -2.1310 -2.1310 -2.0977 -2.0977 -2.0977 -2.0977 -2.0497 -2.0497 -1.9170 -1.9170 -1.9170 -1.9170 7.0829 7.0829 7.0993 7.0993 7.0993 7.0993 8.3169 8.3169 9.6006 9.6006 9.6006 9.6006 9.6604 9.6604 14.0151 14.0151 15.0282 15.0282 15.0282 15.0282 16.3478 16.3478 k = 0.4898 0.5000 0.4898 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2957 -10.2957 -3.0262 -3.0262 -3.0262 -3.0262 -2.9987 -2.9987 -2.9986 -2.9986 -2.9629 -2.9629 -2.9545 -2.9545 -2.2592 -2.2592 -2.2465 -2.2465 -2.1310 -2.1310 -2.1309 -2.1309 -2.0977 -2.0977 -2.0976 -2.0976 -2.0497 -2.0497 -1.9172 -1.9172 -1.9171 -1.9171 7.0760 7.0760 7.0929 7.0929 7.0995 7.0995 8.3301 8.3301 9.6002 9.6002 9.6031 9.6031 9.6617 9.6617 14.0208 14.0208 15.0275 15.0275 15.0285 15.0285 16.3460 16.3460 k = 0.4796 0.5000 0.4796 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2957 -10.2957 -3.0261 -3.0261 -3.0260 -3.0260 -2.9986 -2.9986 -2.9983 -2.9983 -2.9627 -2.9627 -2.9545 -2.9545 -2.2590 -2.2590 -2.2462 -2.2462 -2.1310 -2.1310 -2.1308 -2.1308 -2.0979 -2.0979 -2.0975 -2.0975 -2.0500 -2.0500 -1.9178 -1.9178 -1.9175 -1.9175 7.0423 7.0423 7.0863 7.0863 7.1016 7.1016 8.3677 8.3677 9.5989 9.5989 9.6100 9.6100 9.6664 9.6664 14.0377 14.0377 15.0257 15.0257 15.0294 15.0294 16.3406 16.3406 k = 0.4694 0.5000 0.4694 ( 2884 PWs) bands (ev): -30.6704 -30.6704 -11.7182 -11.7182 -10.2959 -10.2959 -10.2956 -10.2956 -3.0259 -3.0259 -3.0256 -3.0256 -2.9985 -2.9985 -2.9979 -2.9979 -2.9623 -2.9623 -2.9543 -2.9543 -2.2586 -2.2586 -2.2458 -2.2458 -2.1311 -2.1311 -2.1307 -2.1307 -2.0982 -2.0982 -2.0973 -2.0973 -2.0503 -2.0503 -1.9187 -1.9187 -1.9180 -1.9180 6.9858 6.9858 7.0784 7.0784 7.1072 7.1072 8.4252 8.4252 9.5963 9.5963 9.6197 9.6197 9.6772 9.6772 14.0655 14.0655 15.0228 15.0228 15.0308 15.0308 16.3315 16.3316 k = 0.4592 0.5000 0.4592 ( 2904 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2959 -10.2959 -10.2955 -10.2955 -3.0257 -3.0257 -3.0251 -3.0251 -2.9985 -2.9985 -2.9973 -2.9973 -2.9618 -2.9618 -2.9542 -2.9542 -2.2580 -2.2580 -2.2451 -2.2451 -2.1313 -2.1313 -2.1305 -2.1305 -2.0985 -2.0985 -2.0969 -2.0969 -2.0509 -2.0509 -1.9200 -1.9200 -1.9188 -1.9188 6.9139 6.9139 7.0669 7.0669 7.1162 7.1162 8.4969 8.4969 9.5923 9.5923 9.6302 9.6302 9.6974 9.6974 14.1032 14.1032 15.0190 15.0190 15.0327 15.0327 16.3186 16.3186 k = 0.4490 0.5000 0.4490 ( 2916 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2960 -10.2960 -10.2954 -10.2954 -3.0254 -3.0254 -3.0245 -3.0245 -2.9983 -2.9983 -2.9965 -2.9965 -2.9612 -2.9612 -2.9540 -2.9540 -2.2573 -2.2573 -2.2442 -2.2442 -2.1315 -2.1315 -2.1302 -2.1302 -2.0990 -2.0990 -2.0965 -2.0965 -2.0515 -2.0515 -1.9217 -1.9217 -1.9198 -1.9198 6.8313 6.8313 7.0517 7.0517 7.1282 7.1282 8.5776 8.5776 9.5872 9.5872 9.6402 9.6402 9.7291 9.7291 14.1500 14.1500 15.0146 15.0146 15.0350 15.0350 16.3015 16.3016 k = 0.4388 0.5000 0.4388 ( 2912 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2961 -10.2961 -10.2953 -10.2953 -3.0250 -3.0250 -3.0238 -3.0238 -2.9982 -2.9982 -2.9956 -2.9956 -2.9604 -2.9604 -2.9537 -2.9537 -2.2564 -2.2564 -2.2431 -2.2431 -2.1318 -2.1318 -2.1299 -2.1299 -2.0995 -2.0995 -2.0959 -2.0959 -2.0524 -2.0524 -1.9237 -1.9237 -1.9211 -1.9211 6.7418 6.7418 7.0328 7.0328 7.1429 7.1429 8.6628 8.6628 9.5818 9.5818 9.6505 9.6505 9.7729 9.7729 14.2042 14.2042 15.0099 15.0099 15.0376 15.0376 16.2798 16.2798 k = 0.4286 0.5000 0.4286 ( 2908 PWs) bands (ev): -30.6705 -30.6705 -11.7181 -11.7181 -10.2963 -10.2963 -10.2951 -10.2951 -3.0246 -3.0246 -3.0230 -3.0230 -2.9980 -2.9980 -2.9945 -2.9945 -2.9595 -2.9595 -2.9534 -2.9534 -2.2554 -2.2554 -2.2418 -2.2418 -2.1321 -2.1321 -2.1295 -2.1295 -2.1000 -2.1000 -2.0953 -2.0953 -2.0533 -2.0533 -1.9260 -1.9260 -1.9225 -1.9225 6.6478 6.6478 7.0099 7.0099 7.1605 7.1605 8.7488 8.7488 9.5770 9.5770 9.6615 9.6615 9.8290 9.8290 14.2642 14.2642 15.0057 15.0057 15.0404 15.0404 16.2530 16.2530 k = 0.4184 0.5000 0.4184 ( 2912 PWs) bands (ev): -30.6705 -30.6705 -11.7181 -11.7181 -10.2964 -10.2964 -10.2948 -10.2948 -3.0241 -3.0241 -3.0221 -3.0221 -2.9978 -2.9978 -2.9933 -2.9933 -2.9585 -2.9585 -2.9531 -2.9531 -2.2542 -2.2542 -2.2404 -2.2404 -2.1326 -2.1326 -2.1292 -2.1292 -2.1006 -2.1006 -2.0945 -2.0945 -2.0544 -2.0544 -1.9286 -1.9286 -1.9241 -1.9241 6.5514 6.5514 6.9829 6.9829 7.1808 7.1808 8.8329 8.8329 9.5737 9.5737 9.6739 9.6739 9.8975 9.8975 14.3276 14.3276 15.0029 15.0029 15.0431 15.0431 16.2208 16.2208 k = 0.4082 0.5000 0.4082 ( 2908 PWs) bands (ev): -30.6706 -30.6706 -11.7180 -11.7180 -10.2966 -10.2966 -10.2946 -10.2946 -3.0236 -3.0236 -3.0212 -3.0212 -2.9976 -2.9976 -2.9919 -2.9919 -2.9575 -2.9575 -2.9527 -2.9527 -2.2529 -2.2529 -2.2387 -2.2387 -2.1331 -2.1331 -2.1288 -2.1288 -2.1011 -2.1011 -2.0936 -2.0936 -2.0556 -2.0556 -1.9315 -1.9315 -1.9259 -1.9259 6.4537 6.4537 6.9518 6.9518 7.2039 7.2039 8.9131 8.9131 9.5730 9.5730 9.6877 9.6877 9.9789 9.9789 14.3914 14.3914 15.0028 15.0028 15.0456 15.0456 16.1831 16.1831 k = 0.3980 0.5000 0.3980 ( 2916 PWs) bands (ev): -30.6706 -30.6706 -11.7179 -11.7179 -10.2968 -10.2968 -10.2943 -10.2943 -3.0231 -3.0231 -3.0202 -3.0202 -2.9974 -2.9974 -2.9904 -2.9904 -2.9564 -2.9564 -2.9522 -2.9522 -2.2515 -2.2515 -2.2369 -2.2369 -2.1339 -2.1339 -2.1284 -2.1284 -2.1017 -2.1017 -2.0926 -2.0926 -2.0569 -2.0569 -1.9347 -1.9347 -1.9278 -1.9278 6.3559 6.3559 6.9165 6.9165 7.2298 7.2298 8.9882 8.9882 9.5757 9.5757 9.7031 9.7031 10.0729 10.0729 14.4520 14.4520 15.0070 15.0070 15.0476 15.0476 16.1398 16.1398 k = 0.3878 0.5000 0.3878 ( 2916 PWs) bands (ev): -30.6706 -30.6706 -11.7179 -11.7179 -10.2969 -10.2969 -10.2940 -10.2940 -3.0226 -3.0226 -3.0191 -3.0191 -2.9972 -2.9972 -2.9887 -2.9887 -2.9554 -2.9554 -2.9516 -2.9516 -2.2500 -2.2500 -2.2348 -2.2348 -2.1347 -2.1347 -2.1280 -2.1280 -2.1022 -2.1022 -2.0914 -2.0914 -2.0583 -2.0583 -1.9380 -1.9380 -1.9299 -1.9299 6.2586 6.2586 6.8770 6.8770 7.2585 7.2585 9.0579 9.0579 9.5826 9.5826 9.7201 9.7201 10.1791 10.1791 14.5054 14.5054 15.0176 15.0176 15.0489 15.0489 16.0909 16.0909 k = 0.3776 0.5000 0.3776 ( 2926 PWs) bands (ev): -30.6707 -30.6707 -11.7178 -11.7178 -10.2971 -10.2971 -10.2937 -10.2937 -3.0221 -3.0221 -3.0180 -3.0180 -2.9970 -2.9970 -2.9870 -2.9870 -2.9544 -2.9544 -2.9508 -2.9508 -2.2484 -2.2484 -2.2326 -2.2326 -2.1358 -2.1358 -2.1277 -2.1277 -2.1027 -2.1027 -2.0900 -2.0900 -2.0597 -2.0597 -1.9416 -1.9416 -1.9321 -1.9321 6.1623 6.1623 6.8333 6.8333 7.2900 7.2900 9.1223 9.1223 9.5943 9.5943 9.7388 9.7388 10.2964 10.2964 14.5476 14.5476 15.0357 15.0357 15.0495 15.0495 16.0362 16.0362 k = 0.3673 0.5000 0.3673 ( 2934 PWs) bands (ev): -30.6707 -30.6707 -11.7177 -11.7177 -10.2973 -10.2973 -10.2933 -10.2933 -3.0216 -3.0216 -3.0169 -3.0169 -2.9967 -2.9967 -2.9852 -2.9852 -2.9536 -2.9536 -2.9499 -2.9499 -2.2467 -2.2467 -2.2302 -2.2302 -2.1370 -2.1370 -2.1274 -2.1274 -2.1030 -2.1030 -2.0886 -2.0886 -2.0613 -2.0613 -1.9454 -1.9454 -1.9345 -1.9345 6.0674 6.0674 6.7857 6.7857 7.3244 7.3244 9.1821 9.1821 9.6114 9.6114 9.7593 9.7593 10.4238 10.4238 14.5760 14.5760 15.0471 15.0471 15.0632 15.0632 15.9755 15.9755 k = 0.3571 0.5000 0.3571 ( 2926 PWs) bands (ev): -30.6707 -30.6707 -11.7176 -11.7176 -10.2975 -10.2975 -10.2929 -10.2929 -3.0211 -3.0211 -3.0158 -3.0158 -2.9964 -2.9964 -2.9834 -2.9834 -2.9529 -2.9529 -2.9487 -2.9487 -2.2449 -2.2449 -2.2277 -2.2277 -2.1384 -2.1384 -2.1271 -2.1271 -2.1033 -2.1033 -2.0870 -2.0870 -2.0628 -2.0628 -1.9493 -1.9493 -1.9369 -1.9369 5.9744 5.9744 6.7344 6.7344 7.3616 7.3616 9.2380 9.2380 9.6342 9.6342 9.7815 9.7815 10.5598 10.5598 14.5906 14.5906 15.0447 15.0447 15.0942 15.0942 15.9085 15.9085 k = 0.3469 0.5000 0.3469 ( 2926 PWs) bands (ev): -30.6708 -30.6708 -11.7175 -11.7175 -10.2977 -10.2977 -10.2925 -10.2925 -3.0206 -3.0206 -3.0146 -3.0146 -2.9962 -2.9962 -2.9815 -2.9815 -2.9524 -2.9524 -2.9475 -2.9475 -2.2430 -2.2430 -2.2251 -2.2251 -2.1400 -2.1400 -2.1268 -2.1268 -2.1036 -2.1036 -2.0853 -2.0853 -2.0643 -2.0643 -1.9533 -1.9533 -1.9394 -1.9394 5.8833 5.8833 6.6795 6.6795 7.4016 7.4016 9.2909 9.2909 9.6629 9.6629 9.8057 9.8057 10.7032 10.7032 14.5931 14.5931 15.0399 15.0399 15.1265 15.1265 15.8350 15.8350 k = 0.3367 0.5000 0.3367 ( 2922 PWs) bands (ev): -30.6708 -30.6708 -11.7173 -11.7173 -10.2979 -10.2979 -10.2920 -10.2920 -3.0202 -3.0202 -3.0134 -3.0134 -2.9959 -2.9959 -2.9797 -2.9797 -2.9519 -2.9519 -2.9462 -2.9462 -2.2412 -2.2412 -2.2223 -2.2223 -2.1417 -2.1417 -2.1266 -2.1266 -2.1037 -2.1037 -2.0836 -2.0836 -2.0656 -2.0656 -1.9574 -1.9574 -1.9419 -1.9419 5.7944 5.7944 6.6215 6.6215 7.4446 7.4446 9.3415 9.3415 9.6975 9.6975 9.8319 9.8319 10.8529 10.8529 14.5863 14.5863 15.0327 15.0327 15.1554 15.1554 15.7546 15.7546 k = 0.3265 0.5000 0.3265 ( 2906 PWs) bands (ev): -30.6708 -30.6708 -11.7172 -11.7172 -10.2981 -10.2981 -10.2915 -10.2915 -3.0198 -3.0198 -3.0123 -3.0123 -2.9956 -2.9956 -2.9779 -2.9779 -2.9515 -2.9515 -2.9448 -2.9448 -2.2393 -2.2393 -2.2194 -2.2194 -2.1436 -2.1436 -2.1265 -2.1265 -2.1038 -2.1038 -2.0819 -2.0819 -2.0667 -2.0667 -1.9616 -1.9616 -1.9445 -1.9445 5.7078 5.7078 6.5608 6.5608 7.4904 7.4904 9.3904 9.3904 9.7380 9.7380 9.8605 9.8605 11.0076 11.0076 14.5723 14.5723 15.0226 15.0226 15.1778 15.1778 15.6670 15.6670 k = 0.3163 0.5000 0.3163 ( 2906 PWs) bands (ev): -30.6708 -30.6708 -11.7170 -11.7170 -10.2983 -10.2983 -10.2909 -10.2909 -3.0195 -3.0195 -3.0110 -3.0110 -2.9953 -2.9953 -2.9761 -2.9761 -2.9511 -2.9511 -2.9435 -2.9435 -2.2374 -2.2374 -2.2165 -2.2165 -2.1456 -2.1456 -2.1263 -2.1263 -2.1038 -2.1038 -2.0806 -2.0806 -2.0673 -2.0673 -1.9659 -1.9659 -1.9470 -1.9470 5.6237 5.6237 6.4976 6.4976 7.5393 7.5393 9.4383 9.4383 9.7838 9.7838 9.8919 9.8919 11.1665 11.1665 14.5531 14.5531 15.0092 15.0092 15.1922 15.1922 15.5719 15.5719 k = 0.3061 0.5000 0.3061 ( 2908 PWs) bands (ev): -30.6709 -30.6709 -11.7168 -11.7168 -10.2984 -10.2984 -10.2904 -10.2904 -3.0193 -3.0193 -3.0098 -3.0098 -2.9950 -2.9950 -2.9744 -2.9744 -2.9508 -2.9508 -2.9422 -2.9422 -2.2355 -2.2355 -2.2135 -2.2135 -2.1477 -2.1477 -2.1262 -2.1262 -2.1038 -2.1038 -2.0799 -2.0799 -2.0669 -2.0669 -1.9702 -1.9702 -1.9496 -1.9496 5.5421 5.5421 6.4325 6.4325 7.5910 7.5910 9.4855 9.4855 9.8337 9.8337 9.9273 9.9273 11.3288 11.3288 14.5300 14.5300 14.9923 14.9923 15.1982 15.1982 15.4692 15.4692 k = 0.2959 0.5000 0.2959 ( 2912 PWs) bands (ev): -30.6709 -30.6709 -11.7166 -11.7166 -10.2986 -10.2986 -10.2898 -10.2898 -3.0192 -3.0192 -3.0086 -3.0086 -2.9947 -2.9947 -2.9728 -2.9728 -2.9505 -2.9505 -2.9410 -2.9410 -2.2336 -2.2336 -2.2106 -2.2106 -2.1499 -2.1499 -2.1261 -2.1261 -2.1038 -2.1038 -2.0800 -2.0800 -2.0656 -2.0656 -1.9745 -1.9745 -1.9520 -1.9520 5.4632 5.4632 6.3659 6.3659 7.6458 7.6458 9.5323 9.5323 9.8855 9.8855 9.9688 9.9688 11.4937 11.4937 14.5040 14.5040 14.9715 14.9715 15.1958 15.1958 15.3595 15.3595 k = 0.2857 0.5000 0.2857 ( 2904 PWs) bands (ev): -30.6710 -30.6710 -11.7164 -11.7164 -10.2988 -10.2988 -10.2891 -10.2891 -3.0192 -3.0192 -3.0074 -3.0074 -2.9943 -2.9943 -2.9714 -2.9714 -2.9503 -2.9503 -2.9398 -2.9398 -2.2318 -2.2318 -2.2077 -2.2077 -2.1520 -2.1520 -2.1260 -2.1260 -2.1038 -2.1038 -2.0807 -2.0807 -2.0633 -2.0633 -1.9789 -1.9789 -1.9544 -1.9544 5.3869 5.3869 6.2982 6.2982 7.7036 7.7036 9.5789 9.5789 9.9354 9.9354 10.0202 10.0202 11.6606 11.6606 14.4759 14.4759 14.9464 14.9464 15.1804 15.1804 15.2486 15.2486 k = 0.2755 0.5000 0.2755 ( 2898 PWs) bands (ev): -30.6710 -30.6710 -11.7162 -11.7162 -10.2989 -10.2989 -10.2884 -10.2884 -3.0193 -3.0193 -3.0062 -3.0062 -2.9939 -2.9939 -2.9700 -2.9700 -2.9501 -2.9501 -2.9388 -2.9388 -2.2300 -2.2300 -2.2049 -2.2049 -2.1541 -2.1541 -2.1259 -2.1259 -2.1037 -2.1037 -2.0819 -2.0819 -2.0604 -2.0604 -1.9832 -1.9832 -1.9566 -1.9566 5.3133 5.3133 6.2298 6.2298 7.7644 7.7644 9.6255 9.6255 9.9812 9.9812 10.0834 10.0834 11.8287 11.8287 14.4461 14.4461 14.9167 14.9167 15.0985 15.0985 15.1912 15.1912 k = 0.2653 0.5000 0.2653 ( 2902 PWs) bands (ev): -30.6711 -30.6711 -11.7160 -11.7160 -10.2991 -10.2991 -10.2878 -10.2878 -3.0196 -3.0196 -3.0049 -3.0049 -2.9935 -2.9935 -2.9689 -2.9689 -2.9499 -2.9499 -2.9378 -2.9378 -2.2283 -2.2283 -2.2023 -2.2023 -2.1561 -2.1561 -2.1258 -2.1258 -2.1037 -2.1037 -2.0832 -2.0832 -2.0570 -2.0570 -1.9876 -1.9876 -1.9587 -1.9587 5.2425 5.2425 6.1610 6.1610 7.8283 7.8283 9.6722 9.6722 10.0239 10.0239 10.1574 10.1574 11.9975 11.9975 14.4151 14.4151 14.8820 14.8820 14.9684 14.9684 15.1708 15.1708 k = 0.2551 0.5000 0.2551 ( 2892 PWs) bands (ev): -30.6711 -30.6711 -11.7157 -11.7157 -10.2992 -10.2992 -10.2870 -10.2870 -3.0200 -3.0200 -3.0037 -3.0037 -2.9931 -2.9931 -2.9678 -2.9678 -2.9497 -2.9497 -2.9371 -2.9371 -2.2267 -2.2267 -2.1998 -2.1998 -2.1580 -2.1580 -2.1257 -2.1257 -2.1036 -2.1036 -2.0845 -2.0845 -2.0534 -2.0534 -1.9919 -1.9919 -1.9605 -1.9605 5.1745 5.1745 6.0924 6.0924 7.8952 7.8952 9.7190 9.7190 10.0653 10.0653 10.2401 10.2401 12.1663 12.1663 14.3833 14.3833 14.8221 14.8221 14.8477 14.8477 15.1511 15.1511 k = 0.2449 0.5000 0.2449 ( 2892 PWs) bands (ev): -30.6711 -30.6711 -11.7155 -11.7155 -10.2993 -10.2993 -10.2863 -10.2863 -3.0205 -3.0205 -3.0025 -3.0025 -2.9926 -2.9926 -2.9669 -2.9669 -2.9496 -2.9496 -2.9364 -2.9364 -2.2253 -2.2253 -2.1977 -2.1977 -2.1597 -2.1597 -2.1256 -2.1256 -2.1036 -2.1036 -2.0859 -2.0859 -2.0495 -2.0495 -1.9961 -1.9961 -1.9622 -1.9622 5.1092 5.1092 6.0242 6.0242 7.9653 7.9653 9.7659 9.7659 10.1068 10.1068 10.3299 10.3299 12.3346 12.3346 14.3508 14.3508 14.6762 14.6762 14.8010 14.8010 15.1300 15.1300 k = 0.2347 0.5000 0.2347 ( 2896 PWs) bands (ev): -30.6712 -30.6712 -11.7152 -11.7152 -10.2994 -10.2994 -10.2855 -10.2855 -3.0212 -3.0212 -3.0012 -3.0012 -2.9920 -2.9920 -2.9662 -2.9662 -2.9496 -2.9496 -2.9359 -2.9359 -2.2240 -2.2240 -2.1958 -2.1958 -2.1610 -2.1610 -2.1254 -2.1254 -2.1037 -2.1037 -2.0872 -2.0872 -2.0455 -2.0455 -2.0004 -2.0004 -1.9636 -1.9636 5.0467 5.0467 5.9568 5.9568 8.0385 8.0385 9.8129 9.8129 10.1488 10.1488 10.4262 10.4262 12.5016 12.5016 14.3176 14.3176 14.5216 14.5216 14.7523 14.7523 15.1076 15.1076 k = 0.2245 0.5000 0.2245 ( 2892 PWs) bands (ev): -30.6712 -30.6712 -11.7150 -11.7150 -10.2995 -10.2995 -10.2847 -10.2847 -3.0221 -3.0221 -3.0000 -3.0000 -2.9914 -2.9914 -2.9655 -2.9655 -2.9496 -2.9496 -2.9356 -2.9356 -2.2228 -2.2228 -2.1944 -2.1944 -2.1620 -2.1620 -2.1253 -2.1253 -2.1038 -2.1038 -2.0885 -2.0885 -2.0414 -2.0414 -2.0045 -2.0045 -1.9647 -1.9647 4.9870 4.9870 5.8904 5.8904 8.1149 8.1149 9.8600 9.8600 10.1917 10.1917 10.5285 10.5285 12.6666 12.6666 14.2813 14.2813 14.3646 14.3646 14.6993 14.6993 15.0841 15.0841 k = 0.2143 0.5000 0.2143 ( 2900 PWs) bands (ev): -30.6713 -30.6713 -11.7147 -11.7147 -10.2996 -10.2996 -10.2839 -10.2839 -3.0231 -3.0231 -2.9987 -2.9987 -2.9908 -2.9908 -2.9651 -2.9651 -2.9496 -2.9496 -2.9355 -2.9355 -2.2218 -2.2218 -2.1933 -2.1933 -2.1627 -2.1627 -2.1251 -2.1251 -2.1040 -2.1040 -2.0896 -2.0896 -2.0374 -2.0374 -2.0084 -2.0084 -1.9654 -1.9654 4.9302 4.9302 5.8254 5.8254 8.1945 8.1945 9.9070 9.9070 10.2355 10.2355 10.6363 10.6363 12.8290 12.8290 14.1849 14.1849 14.2633 14.2633 14.6423 14.6423 15.0599 15.0599 k = 0.2041 0.5000 0.2041 ( 2892 PWs) bands (ev): -30.6713 -30.6713 -11.7144 -11.7144 -10.2997 -10.2997 -10.2831 -10.2831 -3.0242 -3.0242 -2.9975 -2.9975 -2.9901 -2.9901 -2.9647 -2.9647 -2.9497 -2.9497 -2.9355 -2.9355 -2.2209 -2.2209 -2.1926 -2.1926 -2.1629 -2.1629 -2.1249 -2.1249 -2.1043 -2.1043 -2.0907 -2.0907 -2.0336 -2.0336 -2.0122 -2.0122 -1.9658 -1.9658 4.8761 4.8761 5.7620 5.7620 8.2772 8.2772 9.9539 9.9539 10.2803 10.2803 10.7494 10.7494 12.9878 12.9878 14.0200 14.0200 14.2272 14.2272 14.5815 14.5815 15.0352 15.0352 k = 0.1939 0.5000 0.1939 ( 2892 PWs) bands (ev): -30.6714 -30.6714 -11.7141 -11.7141 -10.2998 -10.2998 -10.2823 -10.2823 -3.0255 -3.0255 -2.9962 -2.9962 -2.9894 -2.9894 -2.9644 -2.9644 -2.9499 -2.9499 -2.9357 -2.9357 -2.2203 -2.2203 -2.1923 -2.1923 -2.1627 -2.1627 -2.1247 -2.1247 -2.1047 -2.1047 -2.0916 -2.0916 -2.0302 -2.0302 -2.0155 -2.0155 -1.9657 -1.9657 4.8248 4.8248 5.7004 5.7004 8.3632 8.3632 10.0005 10.0005 10.3260 10.3260 10.8676 10.8676 13.1422 13.1422 13.8487 13.8487 14.1956 14.1956 14.5175 14.5175 15.0099 15.0099 k = 0.1837 0.5000 0.1837 ( 2896 PWs) bands (ev): -30.6714 -30.6714 -11.7138 -11.7138 -10.2998 -10.2998 -10.2814 -10.2814 -3.0269 -3.0269 -2.9950 -2.9950 -2.9886 -2.9886 -2.9643 -2.9643 -2.9501 -2.9501 -2.9360 -2.9360 -2.2198 -2.2198 -2.1922 -2.1922 -2.1621 -2.1621 -2.1245 -2.1245 -2.1053 -2.1053 -2.0925 -2.0925 -2.0279 -2.0279 -2.0178 -2.0178 -1.9652 -1.9652 4.7762 4.7762 5.6409 5.6409 8.4524 8.4524 10.0468 10.0468 10.3725 10.3725 10.9907 10.9907 13.2905 13.2905 13.6752 13.6752 14.1656 14.1656 14.4508 14.4508 14.9843 14.9843 k = 0.1735 0.5000 0.1735 ( 2884 PWs) bands (ev): -30.6715 -30.6715 -11.7135 -11.7135 -10.2999 -10.2999 -10.2806 -10.2806 -3.0284 -3.0284 -2.9937 -2.9937 -2.9878 -2.9878 -2.9642 -2.9642 -2.9504 -2.9504 -2.9366 -2.9366 -2.2194 -2.2194 -2.1924 -2.1924 -2.1612 -2.1612 -2.1244 -2.1244 -2.1060 -2.1060 -2.0932 -2.0932 -2.0279 -2.0279 -2.0179 -2.0179 -1.9641 -1.9641 4.7304 4.7304 5.5836 5.5836 8.5449 8.5449 10.0925 10.0925 10.4197 10.4197 11.1183 11.1183 13.4233 13.4233 13.5089 13.5089 14.1371 14.1371 14.3822 14.3822 14.9583 14.9583 k = 0.1633 0.5000 0.1633 ( 2880 PWs) bands (ev): -30.6715 -30.6715 -11.7132 -11.7132 -10.2999 -10.2999 -10.2798 -10.2798 -3.0300 -3.0300 -2.9925 -2.9925 -2.9869 -2.9869 -2.9642 -2.9642 -2.9508 -2.9508 -2.9372 -2.9372 -2.2193 -2.2193 -2.1927 -2.1927 -2.1600 -2.1600 -2.1242 -2.1242 -2.1068 -2.1068 -2.0939 -2.0939 -2.0299 -2.0299 -2.0161 -2.0161 -1.9626 -1.9626 4.6874 4.6874 5.5288 5.5288 8.6406 8.6406 10.1374 10.1374 10.4674 10.4674 11.2504 11.2504 13.3154 13.3154 13.5742 13.5742 14.1104 14.1104 14.3125 14.3125 14.9318 14.9318 k = 0.1531 0.5000 0.1531 ( 2894 PWs) bands (ev): -30.6716 -30.6716 -11.7129 -11.7129 -10.2999 -10.2999 -10.2790 -10.2790 -3.0317 -3.0317 -2.9912 -2.9912 -2.9859 -2.9859 -2.9642 -2.9642 -2.9512 -2.9512 -2.9381 -2.9381 -2.2192 -2.2192 -2.1931 -2.1931 -2.1586 -2.1586 -2.1241 -2.1241 -2.1078 -2.1078 -2.0947 -2.0947 -2.0325 -2.0325 -2.0138 -2.0138 -1.9605 -1.9605 4.6471 4.6471 5.4766 5.4766 8.7396 8.7396 10.1815 10.1815 10.5154 10.5154 11.3866 11.3866 13.1393 13.1393 13.6968 13.6968 14.0866 14.0866 14.2428 14.2428 14.9047 14.9047 k = 0.1429 0.5000 0.1429 ( 2902 PWs) bands (ev): -30.6716 -30.6716 -11.7127 -11.7127 -10.2999 -10.2999 -10.2782 -10.2782 -3.0335 -3.0335 -2.9899 -2.9899 -2.9850 -2.9850 -2.9643 -2.9643 -2.9517 -2.9517 -2.9391 -2.9391 -2.2193 -2.2193 -2.1934 -2.1934 -2.1571 -2.1571 -2.1240 -2.1240 -2.1088 -2.1088 -2.0955 -2.0955 -2.0352 -2.0352 -2.0117 -2.0117 -1.9581 -1.9581 4.6095 4.6095 5.4272 5.4272 8.8419 8.8419 10.2244 10.2244 10.5635 10.5635 11.5267 11.5267 12.9619 12.9619 13.8056 13.8056 14.0682 14.0682 14.1752 14.1752 14.8766 14.8766 k = 0.1327 0.5000 0.1327 ( 2898 PWs) bands (ev): -30.6716 -30.6716 -11.7124 -11.7124 -10.3000 -10.3000 -10.2774 -10.2774 -3.0353 -3.0353 -2.9887 -2.9887 -2.9839 -2.9839 -2.9645 -2.9645 -2.9522 -2.9522 -2.9402 -2.9402 -2.2195 -2.2195 -2.1938 -2.1938 -2.1554 -2.1554 -2.1240 -2.1240 -2.1099 -2.1099 -2.0965 -2.0965 -2.0377 -2.0377 -2.0098 -2.0098 -1.9552 -1.9552 4.5746 4.5746 5.3806 5.3806 8.9474 8.9474 10.2660 10.2660 10.6113 10.6113 11.6703 11.6703 12.7846 12.7846 13.8860 13.8860 14.0603 14.0603 14.1181 14.1181 14.8473 14.8473 k = 0.1224 0.5000 0.1224 ( 2898 PWs) bands (ev): -30.6717 -30.6717 -11.7121 -11.7121 -10.3000 -10.3000 -10.2767 -10.2767 -3.0371 -3.0371 -2.9874 -2.9874 -2.9828 -2.9828 -2.9647 -2.9647 -2.9528 -2.9528 -2.9414 -2.9414 -2.2197 -2.2197 -2.1941 -2.1941 -2.1537 -2.1537 -2.1240 -2.1240 -2.1110 -2.1110 -2.0976 -2.0976 -2.0400 -2.0400 -2.0081 -2.0081 -1.9522 -1.9522 4.5423 4.5423 5.3371 5.3371 9.0563 9.0563 10.3060 10.3060 10.6587 10.6587 11.8173 11.8173 12.6081 12.6081 13.9134 13.9134 14.0350 14.0350 14.1237 14.1237 14.8162 14.8162 k = 0.1122 0.5000 0.1122 ( 2906 PWs) bands (ev): -30.6717 -30.6717 -11.7119 -11.7119 -10.3000 -10.3000 -10.2760 -10.2760 -3.0388 -3.0388 -2.9862 -2.9862 -2.9817 -2.9817 -2.9649 -2.9649 -2.9534 -2.9534 -2.9427 -2.9427 -2.2201 -2.2201 -2.1943 -2.1943 -2.1518 -2.1518 -2.1240 -2.1240 -2.1122 -2.1122 -2.0989 -2.0989 -2.0420 -2.0420 -2.0067 -2.0067 -1.9489 -1.9489 4.5127 4.5127 5.2967 5.2967 9.1683 9.1683 10.3442 10.3442 10.7052 10.7052 11.9670 11.9670 12.4327 12.4327 13.8914 13.8914 13.9949 13.9949 14.1859 14.1859 14.7828 14.7828 k = 0.1020 0.5000 0.1020 ( 2892 PWs) bands (ev): -30.6717 -30.6717 -11.7116 -11.7116 -10.3000 -10.3000 -10.2753 -10.2753 -3.0405 -3.0405 -2.9849 -2.9849 -2.9805 -2.9805 -2.9652 -2.9652 -2.9540 -2.9540 -2.9441 -2.9441 -2.2204 -2.2204 -2.1945 -2.1945 -2.1499 -2.1499 -2.1241 -2.1241 -2.1132 -2.1132 -2.1004 -2.1004 -2.0437 -2.0437 -2.0054 -2.0054 -1.9456 -1.9456 4.4858 4.4858 5.2594 5.2594 9.2836 9.2836 10.3803 10.3803 10.7503 10.7503 12.1188 12.1188 12.2590 12.2590 13.8448 13.8448 13.9656 13.9656 14.2550 14.2550 14.7464 14.7464 k = 0.0918 0.5000 0.0918 ( 2892 PWs) bands (ev): -30.6718 -30.6718 -11.7114 -11.7114 -10.3000 -10.3000 -10.2747 -10.2747 -3.0422 -3.0422 -2.9837 -2.9837 -2.9793 -2.9793 -2.9656 -2.9656 -2.9547 -2.9547 -2.9456 -2.9456 -2.2207 -2.2207 -2.1946 -2.1946 -2.1479 -2.1479 -2.1243 -2.1243 -2.1142 -2.1142 -2.1020 -2.1020 -2.0452 -2.0452 -2.0044 -2.0044 -1.9424 -1.9424 4.4615 4.4615 5.2255 5.2255 9.4021 9.4021 10.4140 10.4140 10.7937 10.7937 12.0857 12.0857 12.2739 12.2739 13.7901 13.7901 13.9433 13.9433 14.3184 14.3184 14.7060 14.7060 k = 0.0816 0.5000 0.0816 ( 2884 PWs) bands (ev): -30.6718 -30.6718 -11.7112 -11.7112 -10.3000 -10.3000 -10.2741 -10.2741 -3.0437 -3.0437 -2.9825 -2.9825 -2.9780 -2.9780 -2.9660 -2.9660 -2.9553 -2.9553 -2.9471 -2.9471 -2.2211 -2.2211 -2.1947 -2.1947 -2.1458 -2.1458 -2.1245 -2.1245 -2.1152 -2.1152 -2.1039 -2.1039 -2.0465 -2.0465 -2.0035 -2.0035 -1.9392 -1.9392 4.4398 4.4398 5.1950 5.1950 9.5237 9.5237 10.4452 10.4452 10.8348 10.8348 11.9156 11.9156 12.4286 12.4286 13.7353 13.7353 13.9246 13.9246 14.3726 14.3726 14.6608 14.6608 k = 0.0714 0.5000 0.0714 ( 2880 PWs) bands (ev): -30.6718 -30.6718 -11.7110 -11.7110 -10.3000 -10.3000 -10.2736 -10.2736 -3.0451 -3.0451 -2.9813 -2.9813 -2.9767 -2.9767 -2.9664 -2.9664 -2.9559 -2.9559 -2.9486 -2.9486 -2.2214 -2.2214 -2.1947 -2.1947 -2.1438 -2.1438 -2.1247 -2.1247 -2.1160 -2.1160 -2.1059 -2.1059 -2.0475 -2.0475 -2.0027 -2.0027 -1.9363 -1.9363 4.4206 4.4206 5.1679 5.1679 9.6484 9.6484 10.4736 10.4736 10.8729 10.8729 11.7476 11.7476 12.5835 12.5835 13.6839 13.6839 13.9080 13.9080 14.4164 14.4164 14.6102 14.6102 k = 0.0612 0.5000 0.0612 ( 2884 PWs) bands (ev): -30.6718 -30.6718 -11.7108 -11.7108 -10.3000 -10.3000 -10.2732 -10.2732 -3.0464 -3.0464 -2.9802 -2.9802 -2.9754 -2.9754 -2.9669 -2.9669 -2.9565 -2.9565 -2.9501 -2.9501 -2.2217 -2.2217 -2.1947 -2.1947 -2.1417 -2.1417 -2.1250 -2.1250 -2.1168 -2.1168 -2.1079 -2.1079 -2.0483 -2.0483 -2.0020 -2.0020 -1.9337 -1.9337 4.4041 4.4041 5.1443 5.1443 9.7760 9.7760 10.4990 10.4990 10.9076 10.9076 11.5822 11.5822 12.7367 12.7367 13.6383 13.6383 13.8928 13.8928 14.4464 14.4464 14.5568 14.5568 k = 0.0510 0.5000 0.0510 ( 2884 PWs) bands (ev): -30.6718 -30.6718 -11.7107 -11.7107 -10.3000 -10.3000 -10.2728 -10.2728 -3.0475 -3.0475 -2.9791 -2.9791 -2.9741 -2.9741 -2.9675 -2.9675 -2.9572 -2.9572 -2.9515 -2.9515 -2.2220 -2.2220 -2.1947 -2.1947 -2.1396 -2.1396 -2.1253 -2.1253 -2.1174 -2.1174 -2.1100 -2.1100 -2.0489 -2.0489 -2.0014 -2.0014 -1.9313 -1.9313 4.3901 4.3901 5.1243 5.1243 9.9063 9.9063 10.5212 10.5212 10.9379 10.9379 11.4198 11.4198 12.8858 12.8858 13.6008 13.6008 13.8783 13.8783 14.4427 14.4427 14.5206 14.5206 k = 0.0408 0.5000 0.0408 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7106 -11.7106 -10.3000 -10.3000 -10.2725 -10.2725 -3.0485 -3.0485 -2.9780 -2.9780 -2.9728 -2.9728 -2.9681 -2.9681 -2.9578 -2.9578 -2.9528 -2.9528 -2.2222 -2.2222 -2.1946 -2.1946 -2.1375 -2.1375 -2.1256 -2.1256 -2.1179 -2.1179 -2.1120 -2.1120 -2.0494 -2.0494 -2.0010 -2.0010 -1.9294 -1.9294 4.3787 4.3787 5.1078 5.1078 10.0387 10.0387 10.5403 10.5403 10.9628 10.9628 11.2613 11.2613 13.0265 13.0265 13.5744 13.5744 13.8637 13.8637 14.3853 14.3853 14.5240 14.5240 k = 0.0306 0.5000 0.0306 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7105 -11.7105 -10.3000 -10.3000 -10.2722 -10.2722 -3.0492 -3.0492 -2.9771 -2.9771 -2.9716 -2.9716 -2.9686 -2.9686 -2.9584 -2.9584 -2.9539 -2.9539 -2.2224 -2.2224 -2.1946 -2.1946 -2.1356 -2.1356 -2.1260 -2.1260 -2.1183 -2.1183 -2.1139 -2.1139 -2.0498 -2.0498 -2.0006 -2.0006 -1.9278 -1.9278 4.3698 4.3698 5.0950 5.0950 10.1721 10.1721 10.5568 10.5568 10.9780 10.9780 11.1108 11.1108 13.1508 13.1508 13.5647 13.5647 13.8469 13.8469 14.3104 14.3104 14.5351 14.5351 k = 0.0204 0.5000 0.0204 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.3000 -10.3000 -10.2720 -10.2720 -3.0498 -3.0498 -2.9763 -2.9763 -2.9705 -2.9705 -2.9692 -2.9692 -2.9590 -2.9590 -2.9546 -2.9546 -2.2225 -2.2225 -2.1946 -2.1946 -2.1338 -2.1338 -2.1264 -2.1264 -2.1185 -2.1185 -2.1155 -2.1155 -2.0500 -2.0500 -2.0004 -2.0004 -1.9267 -1.9267 4.3635 4.3635 5.0858 5.0858 10.3029 10.3029 10.5731 10.5731 10.9309 10.9309 11.0219 11.0219 13.2454 13.2454 13.5801 13.5801 13.8248 13.8248 14.2370 14.2370 14.5439 14.5439 k = 0.0102 0.5000 0.0102 ( 2888 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.2999 -10.2999 -10.2719 -10.2719 -3.0501 -3.0501 -2.9758 -2.9758 -2.9699 -2.9699 -2.9695 -2.9695 -2.9595 -2.9595 -2.9551 -2.9551 -2.2226 -2.2226 -2.1946 -2.1946 -2.1325 -2.1325 -2.1267 -2.1267 -2.1187 -2.1187 -2.1166 -2.1166 -2.0502 -2.0502 -2.0002 -2.0002 -1.9260 -1.9260 4.3597 4.3597 5.0803 5.0803 10.4169 10.4169 10.6002 10.6002 10.7981 10.7981 11.0203 11.0203 13.2984 13.2984 13.6210 13.6210 13.7949 13.7949 14.1811 14.1811 14.5491 14.5491 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -30.6719 -30.6719 -11.7104 -11.7104 -10.2999 -10.2999 -10.2719 -10.2719 -3.0502 -3.0502 -2.9756 -2.9756 -2.9698 -2.9698 -2.9695 -2.9695 -2.9597 -2.9597 -2.9552 -2.9552 -2.2226 -2.2226 -2.1945 -2.1945 -2.1320 -2.1320 -2.1269 -2.1269 -2.1187 -2.1187 -2.1170 -2.1170 -2.0502 -2.0502 -2.0001 -2.0001 -1.9258 -1.9258 4.3584 4.3584 5.0784 5.0784 10.4666 10.4666 10.6706 10.6706 10.6785 10.6785 11.0221 11.0221 13.3139 13.3139 13.6506 13.6506 13.7737 13.7737 14.1599 14.1599 14.5509 14.5509 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -30.6710 -30.6710 -11.7170 -11.7170 -10.3053 -10.3053 -10.2847 -10.2847 -3.0077 -3.0077 -3.0007 -3.0007 -2.9749 -2.9749 -2.9565 -2.9565 -2.9521 -2.9521 -2.9245 -2.9245 -2.1948 -2.1948 -2.1735 -2.1735 -2.1287 -2.1287 -2.1282 -2.1282 -2.1137 -2.1137 -2.0925 -2.0925 -2.0880 -2.0880 -2.0151 -2.0151 -2.0056 -2.0056 5.5201 5.5201 6.5470 6.5470 6.5540 6.5540 8.2676 8.2676 11.6540 11.6540 11.6548 11.6548 13.3273 13.3273 13.9415 13.9415 14.4251 14.4251 14.5816 14.5816 14.7379 14.7379 k = 0.5000 0.5000 0.0143 ( 2864 PWs) bands (ev): -30.6710 -30.6710 -11.7170 -11.7170 -10.3053 -10.3053 -10.2847 -10.2847 -3.0078 -3.0078 -3.0008 -3.0008 -2.9750 -2.9750 -2.9566 -2.9566 -2.9521 -2.9521 -2.9246 -2.9246 -2.1950 -2.1950 -2.1738 -2.1738 -2.1287 -2.1287 -2.1282 -2.1282 -2.1136 -2.1136 -2.0927 -2.0927 -2.0877 -2.0877 -2.0148 -2.0148 -2.0053 -2.0053 5.5218 5.5218 6.5478 6.5478 6.5548 6.5548 8.2696 8.2696 11.6482 11.6482 11.6487 11.6487 13.2661 13.2661 14.0025 14.0025 14.4256 14.4256 14.5823 14.5823 14.7452 14.7452 k = 0.5000 0.5000 0.0286 ( 2888 PWs) bands (ev): -30.6711 -30.6711 -11.7170 -11.7170 -10.3052 -10.3052 -10.2848 -10.2848 -3.0079 -3.0079 -3.0008 -3.0008 -2.9755 -2.9755 -2.9569 -2.9569 -2.9519 -2.9519 -2.9249 -2.9249 -2.1957 -2.1957 -2.1746 -2.1746 -2.1286 -2.1286 -2.1282 -2.1282 -2.1135 -2.1135 -2.0931 -2.0931 -2.0871 -2.0871 -2.0140 -2.0140 -2.0047 -2.0047 5.5269 5.5269 6.5503 6.5503 6.5571 6.5571 8.2757 8.2757 11.6305 11.6305 11.6311 11.6311 13.1252 13.1252 14.1424 14.1424 14.4271 14.4271 14.5847 14.5847 14.7671 14.7671 k = 0.5000 0.5000 0.0429 ( 2904 PWs) bands (ev): -30.6711 -30.6711 -11.7170 -11.7170 -10.3051 -10.3051 -10.2849 -10.2849 -3.0081 -3.0081 -3.0009 -3.0009 -2.9761 -2.9761 -2.9573 -2.9573 -2.9517 -2.9517 -2.9253 -2.9253 -2.1969 -2.1969 -2.1758 -2.1758 -2.1285 -2.1285 -2.1282 -2.1282 -2.1132 -2.1132 -2.0935 -2.0935 -2.0863 -2.0863 -2.0126 -2.0126 -2.0036 -2.0036 5.5354 5.5354 6.5543 6.5543 6.5611 6.5611 8.2858 8.2858 11.6008 11.6008 11.6031 11.6031 12.9533 12.9533 14.3110 14.3110 14.4296 14.4296 14.5892 14.5892 14.8037 14.8037 k = 0.5000 0.5000 0.0571 ( 2904 PWs) bands (ev): -30.6711 -30.6711 -11.7170 -11.7170 -10.3050 -10.3050 -10.2850 -10.2850 -3.0083 -3.0083 -3.0010 -3.0010 -2.9769 -2.9769 -2.9579 -2.9579 -2.9515 -2.9515 -2.9259 -2.9259 -2.1985 -2.1985 -2.1774 -2.1774 -2.1283 -2.1283 -2.1282 -2.1282 -2.1128 -2.1128 -2.0939 -2.0939 -2.0854 -2.0854 -2.0107 -2.0107 -2.0021 -2.0021 5.5473 5.5473 6.5600 6.5600 6.5666 6.5666 8.2999 8.2999 11.5604 11.5604 11.5649 11.5649 12.7697 12.7697 14.4331 14.4331 14.4834 14.4834 14.5986 14.5986 14.8562 14.8562 k = 0.5000 0.5000 0.0714 ( 2904 PWs) bands (ev): -30.6711 -30.6711 -11.7171 -11.7171 -10.3048 -10.3048 -10.2852 -10.2852 -3.0086 -3.0086 -3.0012 -3.0012 -2.9780 -2.9780 -2.9586 -2.9586 -2.9512 -2.9512 -2.9266 -2.9266 -2.2004 -2.2004 -2.1795 -2.1795 -2.1282 -2.1282 -2.1282 -2.1282 -2.1123 -2.1123 -2.0943 -2.0943 -2.0844 -2.0844 -2.0083 -2.0083 -2.0002 -2.0002 5.5626 5.5626 6.5673 6.5673 6.5736 6.5736 8.3180 8.3180 11.5104 11.5104 11.5175 11.5175 12.5815 12.5815 14.4376 14.4376 14.5877 14.5877 14.6715 14.6715 14.9288 14.9288 k = 0.5000 0.5000 0.0857 ( 2912 PWs) bands (ev): -30.6711 -30.6711 -11.7171 -11.7171 -10.3046 -10.3046 -10.2855 -10.2855 -3.0090 -3.0090 -3.0014 -3.0014 -2.9791 -2.9791 -2.9595 -2.9595 -2.9509 -2.9509 -2.9274 -2.9274 -2.2026 -2.2026 -2.1819 -2.1819 -2.1282 -2.1282 -2.1280 -2.1280 -2.1117 -2.1117 -2.0945 -2.0945 -2.0833 -2.0833 -2.0055 -2.0055 -1.9979 -1.9979 5.5813 5.5813 6.5762 6.5762 6.5821 6.5821 8.3399 8.3399 11.4519 11.4519 11.4618 11.4618 12.3917 12.3917 14.4429 14.4429 14.6027 14.6027 14.8132 14.8132 15.0310 15.0310 k = 0.5000 0.5000 0.1000 ( 2920 PWs) bands (ev): -30.6711 -30.6711 -11.7171 -11.7171 -10.3044 -10.3044 -10.2857 -10.2857 -3.0095 -3.0095 -3.0017 -3.0017 -2.9804 -2.9804 -2.9606 -2.9606 -2.9506 -2.9506 -2.9284 -2.9284 -2.2051 -2.2051 -2.1846 -2.1846 -2.1283 -2.1283 -2.1279 -2.1279 -2.1110 -2.1110 -2.0946 -2.0946 -2.0823 -2.0823 -2.0023 -2.0023 -1.9953 -1.9953 5.6033 5.6033 6.5866 6.5866 6.5922 6.5922 8.3657 8.3657 11.3861 11.3861 11.3990 11.3990 12.2020 12.2020 14.4491 14.4491 14.6138 14.6138 14.9292 14.9292 15.1083 15.1083 k = 0.5000 0.5000 0.1143 ( 2900 PWs) bands (ev): -30.6710 -30.6710 -11.7172 -11.7172 -10.3041 -10.3041 -10.2860 -10.2860 -3.0100 -3.0100 -3.0020 -3.0020 -2.9818 -2.9818 -2.9618 -2.9618 -2.9503 -2.9503 -2.9295 -2.9295 -2.2078 -2.2078 -2.1875 -2.1875 -2.1283 -2.1283 -2.1277 -2.1277 -2.1103 -2.1103 -2.0947 -2.0947 -2.0812 -2.0812 -1.9988 -1.9988 -1.9924 -1.9924 5.6287 5.6287 6.5985 6.5985 6.6037 6.6037 8.3952 8.3952 11.3143 11.3143 11.3301 11.3301 12.0132 12.0132 14.4560 14.4560 14.6255 14.6255 15.0257 15.0257 15.1743 15.1743 k = 0.5000 0.5000 0.1286 ( 2900 PWs) bands (ev): -30.6710 -30.6710 -11.7172 -11.7172 -10.3038 -10.3038 -10.2864 -10.2864 -3.0106 -3.0106 -3.0024 -3.0024 -2.9832 -2.9832 -2.9631 -2.9631 -2.9501 -2.9501 -2.9308 -2.9308 -2.2106 -2.2106 -2.1906 -2.1906 -2.1284 -2.1284 -2.1277 -2.1277 -2.1096 -2.1096 -2.0947 -2.0947 -2.0801 -2.0801 -1.9950 -1.9950 -1.9892 -1.9892 5.6574 5.6574 6.6120 6.6120 6.6167 6.6167 8.4284 8.4284 11.2375 11.2375 11.2562 11.2562 11.8259 11.8259 14.4635 14.4635 14.6383 14.6383 15.1152 15.1152 15.2443 15.2443 k = 0.5000 0.5000 0.1429 ( 2904 PWs) bands (ev): -30.6710 -30.6710 -11.7172 -11.7172 -10.3035 -10.3035 -10.2868 -10.2868 -3.0112 -3.0112 -3.0029 -3.0029 -2.9847 -2.9847 -2.9645 -2.9645 -2.9499 -2.9499 -2.9321 -2.9321 -2.2135 -2.2135 -2.1938 -2.1938 -2.1286 -2.1286 -2.1277 -2.1277 -2.1089 -2.1089 -2.0947 -2.0947 -2.0789 -2.0789 -1.9910 -1.9910 -1.9858 -1.9858 5.6894 5.6894 6.6268 6.6268 6.6310 6.6310 8.4650 8.4650 11.1567 11.1567 11.1781 11.1781 11.6403 11.6403 14.4715 14.4715 14.6523 14.6523 15.2027 15.2027 15.3170 15.3170 k = 0.5000 0.5000 0.1571 ( 2904 PWs) bands (ev): -30.6709 -30.6709 -11.7173 -11.7173 -10.3032 -10.3032 -10.2872 -10.2872 -3.0118 -3.0118 -3.0035 -3.0035 -2.9861 -2.9861 -2.9660 -2.9660 -2.9497 -2.9497 -2.9336 -2.9336 -2.2165 -2.2165 -2.1971 -2.1971 -2.1287 -2.1287 -2.1277 -2.1277 -2.1081 -2.1081 -2.0946 -2.0946 -2.0776 -2.0776 -1.9868 -1.9868 -1.9822 -1.9822 5.7247 5.7247 6.6431 6.6431 6.6467 6.6467 8.5050 8.5050 11.0729 11.0729 11.0969 11.0969 11.4568 11.4568 14.4799 14.4799 14.6674 14.6674 15.2897 15.2897 15.3913 15.3913 k = 0.5000 0.5000 0.1714 ( 2904 PWs) bands (ev): -30.6709 -30.6709 -11.7173 -11.7173 -10.3028 -10.3028 -10.2876 -10.2876 -3.0125 -3.0125 -3.0041 -3.0041 -2.9875 -2.9875 -2.9677 -2.9677 -2.9497 -2.9497 -2.9351 -2.9351 -2.2195 -2.2195 -2.2004 -2.2004 -2.1288 -2.1288 -2.1277 -2.1277 -2.1074 -2.1074 -2.0946 -2.0946 -2.0763 -2.0763 -1.9825 -1.9825 -1.9785 -1.9785 5.7632 5.7632 6.6607 6.6607 6.6637 6.6637 8.5483 8.5483 10.9869 10.9869 11.0134 11.0134 11.2756 11.2756 14.4885 14.4885 14.6835 14.6835 15.3762 15.3762 15.4660 15.4660 k = 0.5000 0.5000 0.1857 ( 2904 PWs) bands (ev): -30.6709 -30.6709 -11.7174 -11.7174 -10.3024 -10.3024 -10.2881 -10.2881 -3.0133 -3.0133 -3.0049 -3.0049 -2.9888 -2.9888 -2.9694 -2.9694 -2.9496 -2.9496 -2.9367 -2.9367 -2.2225 -2.2225 -2.2038 -2.2038 -2.1290 -2.1290 -2.1278 -2.1278 -2.1066 -2.1066 -2.0945 -2.0945 -2.0749 -2.0749 -1.9782 -1.9782 -1.9746 -1.9746 5.8049 5.8049 6.6795 6.6795 6.6819 6.6819 8.5945 8.5945 10.8994 10.8994 10.9281 10.9281 11.0969 11.0969 14.4969 14.4969 14.7007 14.7007 15.4616 15.4616 15.5403 15.5403 k = 0.5000 0.5000 0.2000 ( 2908 PWs) bands (ev): -30.6709 -30.6709 -11.7174 -11.7174 -10.3020 -10.3020 -10.2885 -10.2885 -3.0140 -3.0140 -3.0058 -3.0058 -2.9901 -2.9901 -2.9711 -2.9711 -2.9497 -2.9497 -2.9383 -2.9383 -2.2255 -2.2255 -2.2071 -2.2071 -2.1291 -2.1291 -2.1279 -2.1279 -2.1059 -2.1059 -2.0945 -2.0945 -2.0735 -2.0735 -1.9738 -1.9738 -1.9707 -1.9707 5.8498 5.8498 6.6995 6.6995 6.7012 6.7012 8.6436 8.6436 10.8111 10.8111 10.8419 10.8419 10.9208 10.9208 14.5051 14.5051 14.7186 14.7186 15.5455 15.5455 15.6132 15.6132 k = 0.5000 0.5000 0.2143 ( 2904 PWs) bands (ev): -30.6708 -30.6708 -11.7175 -11.7175 -10.3016 -10.3016 -10.2890 -10.2890 -3.0148 -3.0148 -3.0068 -3.0068 -2.9912 -2.9912 -2.9730 -2.9730 -2.9498 -2.9498 -2.9400 -2.9400 -2.2284 -2.2284 -2.2104 -2.2104 -2.1293 -2.1293 -2.1280 -2.1280 -2.1052 -2.1052 -2.0946 -2.0946 -2.0720 -2.0720 -1.9694 -1.9694 -1.9667 -1.9667 5.8978 5.8978 6.7206 6.7206 6.7216 6.7216 8.6953 8.6953 10.7220 10.7220 10.7482 10.7482 10.7554 10.7554 14.5127 14.5127 14.7374 14.7374 15.6270 15.6270 15.6839 15.6839 k = 0.5000 0.5000 0.2286 ( 2904 PWs) bands (ev): -30.6708 -30.6708 -11.7175 -11.7175 -10.3012 -10.3012 -10.2895 -10.2895 -3.0157 -3.0157 -3.0079 -3.0079 -2.9922 -2.9922 -2.9748 -2.9748 -2.9499 -2.9499 -2.9417 -2.9417 -2.2312 -2.2312 -2.2137 -2.2137 -2.1294 -2.1294 -2.1282 -2.1282 -2.1046 -2.1046 -2.0947 -2.0947 -2.0704 -2.0704 -1.9651 -1.9651 -1.9628 -1.9628 5.9488 5.9488 6.7428 6.7428 6.7430 6.7430 8.7493 8.7493 10.5760 10.5760 10.6357 10.6357 10.6691 10.6691 14.5192 14.5192 14.7567 14.7567 15.7056 15.7056 15.7514 15.7514 k = 0.5000 0.5000 0.2429 ( 2920 PWs) bands (ev): -30.6708 -30.6708 -11.7176 -11.7176 -10.3008 -10.3008 -10.2900 -10.2900 -3.0165 -3.0165 -3.0091 -3.0091 -2.9931 -2.9931 -2.9767 -2.9767 -2.9501 -2.9501 -2.9435 -2.9435 -2.2339 -2.2339 -2.2168 -2.2168 -2.1296 -2.1296 -2.1284 -2.1284 -2.1039 -2.1039 -2.0948 -2.0948 -2.0689 -2.0689 -1.9608 -1.9608 -1.9588 -1.9588 6.0029 6.0029 6.7652 6.7652 6.7657 6.7657 8.8054 8.8054 10.4086 10.4086 10.5484 10.5484 10.5835 10.5835 14.5241 14.5241 14.7765 14.7765 15.7808 15.7808 15.8143 15.8143 k = 0.5000 0.5000 0.2571 ( 2920 PWs) bands (ev): -30.6708 -30.6708 -11.7176 -11.7176 -10.3003 -10.3003 -10.2905 -10.2905 -3.0173 -3.0173 -3.0104 -3.0104 -2.9939 -2.9939 -2.9786 -2.9786 -2.9503 -2.9503 -2.9452 -2.9452 -2.2366 -2.2366 -2.2198 -2.2198 -2.1297 -2.1297 -2.1286 -2.1286 -2.1033 -2.1033 -2.0949 -2.0949 -2.0672 -2.0672 -1.9566 -1.9566 -1.9549 -1.9549 6.0598 6.0598 6.7882 6.7882 6.7895 6.7895 8.8632 8.8632 10.2440 10.2440 10.4627 10.4627 10.4990 10.4990 14.5270 14.5270 14.7966 14.7966 15.8520 15.8520 15.8654 15.8654 k = 0.5000 0.5000 0.2714 ( 2912 PWs) bands (ev): -30.6707 -30.6707 -11.7177 -11.7177 -10.2999 -10.2999 -10.2910 -10.2910 -3.0181 -3.0181 -3.0118 -3.0118 -2.9946 -2.9946 -2.9805 -2.9805 -2.9506 -2.9506 -2.9469 -2.9469 -2.2391 -2.2391 -2.2228 -2.2228 -2.1299 -2.1299 -2.1287 -2.1287 -2.1027 -2.1027 -2.0951 -2.0951 -2.0656 -2.0656 -1.9525 -1.9525 -1.9511 -1.9511 6.1196 6.1196 6.8117 6.8117 6.8138 6.8138 8.9224 8.9224 10.0827 10.0827 10.3789 10.3789 10.4163 10.4163 14.5269 14.5269 14.8169 14.8169 15.8266 15.8266 15.9189 15.9189 k = 0.5000 0.5000 0.2857 ( 2920 PWs) bands (ev): -30.6707 -30.6707 -11.7178 -11.7178 -10.2995 -10.2995 -10.2915 -10.2915 -3.0190 -3.0190 -3.0132 -3.0132 -2.9952 -2.9952 -2.9824 -2.9824 -2.9509 -2.9509 -2.9486 -2.9486 -2.2415 -2.2415 -2.2255 -2.2255 -2.1300 -2.1300 -2.1290 -2.1290 -2.1022 -2.1022 -2.0953 -2.0953 -2.0640 -2.0640 -1.9486 -1.9486 -1.9474 -1.9474 6.1820 6.1820 6.8357 6.8357 6.8386 6.8386 8.9827 8.9827 9.9247 9.9247 10.2973 10.2973 10.3356 10.3356 14.5230 14.5230 14.8372 14.8372 15.7031 15.7031 15.9811 15.9811 k = 0.5000 0.5000 0.3000 ( 2912 PWs) bands (ev): -30.6707 -30.6707 -11.7178 -11.7178 -10.2991 -10.2991 -10.2920 -10.2920 -3.0198 -3.0198 -3.0146 -3.0146 -2.9957 -2.9957 -2.9842 -2.9842 -2.9512 -2.9512 -2.9502 -2.9502 -2.2437 -2.2437 -2.2282 -2.2282 -2.1301 -2.1301 -2.1292 -2.1292 -2.1016 -2.1016 -2.0955 -2.0955 -2.0624 -2.0624 -1.9448 -1.9448 -1.9438 -1.9438 6.2470 6.2470 6.8599 6.8599 6.8636 6.8636 9.0435 9.0435 9.7702 9.7702 10.2183 10.2183 10.2574 10.2574 14.5140 14.5140 14.8573 14.8573 15.5807 15.5807 16.0385 16.0385 k = 0.5000 0.5000 0.3143 ( 2920 PWs) bands (ev): -30.6707 -30.6707 -11.7179 -11.7179 -10.2987 -10.2987 -10.2924 -10.2924 -3.0205 -3.0205 -3.0160 -3.0160 -2.9962 -2.9962 -2.9859 -2.9859 -2.9518 -2.9518 -2.9516 -2.9516 -2.2458 -2.2458 -2.2307 -2.2307 -2.1302 -2.1302 -2.1294 -2.1294 -2.1011 -2.1011 -2.0957 -2.0957 -2.0609 -2.0609 -1.9412 -1.9412 -1.9404 -1.9404 6.3144 6.3144 6.8842 6.8842 6.8886 6.8886 9.1044 9.1044 9.6194 9.6194 10.1423 10.1423 10.1821 10.1821 14.4987 14.4987 14.8771 14.8771 15.4685 15.4685 16.0909 16.0909 k = 0.5000 0.5000 0.3286 ( 2916 PWs) bands (ev): -30.6706 -30.6706 -11.7179 -11.7179 -10.2983 -10.2983 -10.2929 -10.2929 -3.0213 -3.0213 -3.0173 -3.0173 -2.9966 -2.9966 -2.9876 -2.9876 -2.9533 -2.9533 -2.9519 -2.9519 -2.2478 -2.2478 -2.2330 -2.2330 -2.1304 -2.1304 -2.1296 -2.1296 -2.1006 -2.1006 -2.0959 -2.0959 -2.0594 -2.0594 -1.9378 -1.9378 -1.9371 -1.9371 6.3840 6.3840 6.9083 6.9083 6.9136 6.9136 9.1649 9.1649 9.4726 9.4726 10.0697 10.0697 10.1101 10.1101 14.4758 14.4758 14.8964 14.8964 15.3691 15.3691 16.1341 16.1341 k = 0.5000 0.5000 0.3429 ( 2916 PWs) bands (ev): -30.6706 -30.6706 -11.7180 -11.7180 -10.2979 -10.2979 -10.2933 -10.2933 -3.0220 -3.0220 -3.0186 -3.0186 -2.9969 -2.9969 -2.9893 -2.9893 -2.9547 -2.9547 -2.9523 -2.9523 -2.2496 -2.2496 -2.2351 -2.2351 -2.1305 -2.1305 -2.1298 -2.1298 -2.1002 -2.1002 -2.0962 -2.0962 -2.0580 -2.0580 -1.9346 -1.9346 -1.9341 -1.9341 6.4554 6.4554 6.9321 6.9321 6.9380 6.9380 9.2244 9.2244 9.3300 9.3300 10.0010 10.0010 10.0418 10.0418 14.4443 14.4443 14.9150 14.9150 15.2844 15.2844 16.1708 16.1708 k = 0.5000 0.5000 0.3571 ( 2916 PWs) bands (ev): -30.6706 -30.6706 -11.7180 -11.7180 -10.2976 -10.2976 -10.2937 -10.2937 -3.0227 -3.0227 -3.0199 -3.0199 -2.9972 -2.9972 -2.9908 -2.9908 -2.9561 -2.9561 -2.9526 -2.9526 -2.2513 -2.2513 -2.2371 -2.2371 -2.1305 -2.1305 -2.1300 -2.1300 -2.0998 -2.0998 -2.0964 -2.0964 -2.0566 -2.0566 -1.9317 -1.9317 -1.9312 -1.9312 6.5284 6.5284 6.9552 6.9552 6.9619 6.9619 9.1921 9.1921 9.2822 9.2822 9.9364 9.9364 9.9776 9.9776 14.4043 14.4043 14.9327 14.9327 15.2151 15.2151 16.2036 16.2036 k = 0.5000 0.5000 0.3714 ( 2916 PWs) bands (ev): -30.6706 -30.6706 -11.7181 -11.7181 -10.2972 -10.2972 -10.2941 -10.2941 -3.0233 -3.0233 -3.0210 -3.0210 -2.9975 -2.9975 -2.9922 -2.9922 -2.9573 -2.9573 -2.9529 -2.9529 -2.2528 -2.2528 -2.2389 -2.2389 -2.1306 -2.1306 -2.1301 -2.1301 -2.0994 -2.0994 -2.0966 -2.0966 -2.0554 -2.0554 -1.9290 -1.9290 -1.9286 -1.9286 6.6024 6.6024 6.9774 6.9774 6.9847 6.9847 9.0592 9.0592 9.3377 9.3377 9.8764 9.8764 9.9180 9.9180 14.3568 14.3568 14.9494 14.9494 15.1607 15.1607 16.2326 16.2326 k = 0.5000 0.5000 0.3857 ( 2900 PWs) bands (ev): -30.6705 -30.6705 -11.7181 -11.7181 -10.2969 -10.2969 -10.2944 -10.2944 -3.0239 -3.0239 -3.0221 -3.0221 -2.9978 -2.9978 -2.9935 -2.9935 -2.9585 -2.9585 -2.9532 -2.9532 -2.2542 -2.2542 -2.2405 -2.2405 -2.1307 -2.1307 -2.1303 -2.1303 -2.0990 -2.0990 -2.0968 -2.0968 -2.0542 -2.0542 -1.9265 -1.9265 -1.9263 -1.9263 6.6768 6.6768 6.9984 6.9984 7.0063 7.0063 8.9321 8.9321 9.3901 9.3901 9.8213 9.8213 9.8634 9.8634 14.3041 14.3041 14.9649 14.9649 15.1195 15.1195 16.2579 16.2579 k = 0.5000 0.5000 0.4000 ( 2900 PWs) bands (ev): -30.6705 -30.6705 -11.7181 -11.7181 -10.2967 -10.2967 -10.2947 -10.2947 -3.0245 -3.0245 -3.0230 -3.0230 -2.9980 -2.9980 -2.9947 -2.9947 -2.9595 -2.9595 -2.9535 -2.9535 -2.2554 -2.2554 -2.2419 -2.2419 -2.1308 -2.1308 -2.1305 -2.1305 -2.0987 -2.0987 -2.0970 -2.0970 -2.0532 -2.0532 -1.9243 -1.9243 -1.9241 -1.9241 6.7507 6.7507 7.0178 7.0178 7.0264 7.0264 8.8117 8.8117 9.4387 9.4387 9.7715 9.7715 9.8142 9.8142 14.2492 14.2492 14.9790 14.9790 15.0894 15.0894 16.2798 16.2798 k = 0.5000 0.5000 0.4143 ( 2908 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2964 -10.2964 -10.2950 -10.2950 -3.0249 -3.0249 -3.0239 -3.0239 -2.9982 -2.9982 -2.9957 -2.9957 -2.9604 -2.9604 -2.9538 -2.9538 -2.2564 -2.2564 -2.2432 -2.2432 -2.1308 -2.1308 -2.1306 -2.1306 -2.0985 -2.0985 -2.0972 -2.0972 -2.0523 -2.0523 -1.9224 -1.9224 -1.9223 -1.9223 6.8230 6.8230 7.0355 7.0355 7.0446 7.0446 8.6990 8.6990 9.4825 9.4825 9.7275 9.7275 9.7709 9.7709 14.1951 14.1951 14.9916 14.9916 15.0679 15.0679 16.2984 16.2984 k = 0.5000 0.5000 0.4286 ( 2912 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2962 -10.2962 -10.2952 -10.2952 -3.0253 -3.0253 -3.0246 -3.0246 -2.9983 -2.9983 -2.9966 -2.9966 -2.9612 -2.9612 -2.9540 -2.9540 -2.2573 -2.2573 -2.2442 -2.2442 -2.1309 -2.1309 -2.1307 -2.1307 -2.0982 -2.0982 -2.0973 -2.0973 -2.0515 -2.0515 -1.9208 -1.9208 -1.9207 -1.9207 6.8921 6.8921 7.0512 7.0512 7.0606 7.0606 8.5958 8.5958 9.5208 9.5208 9.6895 9.6895 9.7339 9.7339 14.1447 14.1447 15.0025 15.0025 15.0528 15.0528 16.3138 16.3138 k = 0.5000 0.5000 0.4429 ( 2904 PWs) bands (ev): -30.6705 -30.6705 -11.7182 -11.7182 -10.2961 -10.2961 -10.2954 -10.2954 -3.0257 -3.0257 -3.0252 -3.0252 -2.9985 -2.9985 -2.9973 -2.9973 -2.9618 -2.9618 -2.9542 -2.9542 -2.2580 -2.2580 -2.2451 -2.2451 -2.1309 -2.1309 -2.1308 -2.1308 -2.0980 -2.0980 -2.0975 -2.0975 -2.0508 -2.0508 -1.9194 -1.9194 -1.9194 -1.9194 6.9557 6.9557 7.0645 7.0645 7.0741 7.0741 8.5041 8.5041 9.5524 9.5524 9.6579 9.6579 9.7039 9.7039 14.1005 14.1005 15.0116 15.0116 15.0425 15.0425 16.3262 16.3262 k = 0.5000 0.5000 0.4571 ( 2888 PWs) bands (ev): -30.6704 -30.6704 -11.7182 -11.7182 -10.2959 -10.2959 -10.2956 -10.2956 -3.0259 -3.0259 -3.0256 -3.0256 -2.9986 -2.9986 -2.9979 -2.9979 -2.9623 -2.9623 -2.9543 -2.9543 -2.2586 -2.2586 -2.2458 -2.2458 -2.1309 -2.1309 -2.1309 -2.1309 -2.0979 -2.0979 -2.0976 -2.0976 -2.0503 -2.0503 -1.9184 -1.9184 -1.9183 -1.9183 7.0109 7.0109 7.0754 7.0754 7.0850 7.0850 8.4269 8.4269 9.5764 9.5764 9.6330 9.6330 9.6817 9.6817 14.0641 14.0641 15.0188 15.0188 15.0356 15.0356 16.3357 16.3357 k = 0.5000 0.5000 0.4714 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2957 -10.2957 -3.0261 -3.0261 -3.0260 -3.0260 -2.9986 -2.9986 -2.9983 -2.9983 -2.9627 -2.9627 -2.9545 -2.9545 -2.2590 -2.2590 -2.2463 -2.2463 -2.1310 -2.1310 -2.1309 -2.1309 -2.0978 -2.0978 -2.0976 -2.0976 -2.0500 -2.0500 -1.9176 -1.9176 -1.9176 -1.9176 7.0535 7.0535 7.0843 7.0843 7.0929 7.0929 8.3675 8.3675 9.5917 9.5917 9.6151 9.6151 9.6679 9.6679 14.0372 14.0372 15.0240 15.0240 15.0313 15.0313 16.3425 16.3439 k = 0.5000 0.5000 0.4857 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2957 -10.2957 -3.0262 -3.0262 -3.0262 -3.0262 -2.9987 -2.9987 -2.9986 -2.9986 -2.9629 -2.9629 -2.9545 -2.9545 -2.2592 -2.2592 -2.2465 -2.2465 -2.1310 -2.1310 -2.1310 -2.1310 -2.0977 -2.0977 -2.0977 -2.0977 -2.0497 -2.0497 -1.9172 -1.9172 -1.9172 -1.9172 7.0775 7.0775 7.0933 7.0933 7.0977 7.0977 8.3299 8.3299 9.5988 9.5988 9.6042 9.6042 9.6618 9.6618 14.0207 14.0207 15.0271 15.0271 15.0289 15.0289 16.3466 16.3468 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -30.6704 -30.6704 -11.7183 -11.7183 -10.2958 -10.2958 -10.2958 -10.2958 -3.0263 -3.0263 -3.0263 -3.0263 -2.9987 -2.9987 -2.9987 -2.9987 -2.9630 -2.9630 -2.9545 -2.9545 -2.2593 -2.2593 -2.2466 -2.2466 -2.1310 -2.1310 -2.1310 -2.1310 -2.0977 -2.0977 -2.0977 -2.0977 -2.0497 -2.0497 -1.9170 -1.9170 -1.9170 -1.9170 7.0829 7.0829 7.0993 7.0993 7.0993 7.0993 8.3169 8.3169 9.6006 9.6006 9.6006 9.6006 9.6604 9.6604 14.0151 14.0151 15.0282 15.0282 15.0282 15.0282 16.3478 16.3478 Writing output data file YIn3.save init_run : 0.20s CPU 0.29s WALL ( 1 calls) electrons : 104.34s CPU 106.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 104.34s CPU 106.27s 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 : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 269 calls) cegterg : 95.98s CPU 97.45s WALL ( 388 calls) Called by sum_band: Called by *egterg: h_psi : 41.84s CPU 43.02s WALL ( 6174 calls) s_psi : 4.40s CPU 4.29s WALL ( 6174 calls) g_psi : 0.16s CPU 0.14s WALL ( 5517 calls) cdiaghg : 45.08s CPU 45.80s WALL ( 5786 calls) cegterg:over : 3.95s CPU 4.16s WALL ( 5517 calls) cegterg:upda : 3.14s CPU 2.94s WALL ( 5517 calls) cegterg:last : 1.75s CPU 1.83s WALL ( 926 calls) cdiaghg:chol : 2.49s CPU 2.49s WALL ( 5786 calls) cdiaghg:inve : 1.70s CPU 1.67s WALL ( 5786 calls) cdiaghg:para : 2.57s CPU 2.82s WALL ( 11572 calls) Called by h_psi: h_psi:vloc : 33.17s CPU 34.00s WALL ( 6174 calls) h_psi:vnl : 8.56s CPU 8.86s WALL ( 6174 calls) add_vuspsi : 4.60s CPU 4.82s WALL ( 6174 calls) General routines calbec : 3.94s CPU 4.03s WALL ( 6174 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 30.85s CPU 31.56s WALL ( 704016 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.17s WALL ( 538 calls) Parallel routines fft_scatter : 16.11s CPU 16.11s WALL ( 704039 calls) PWSCF : 1m56.85s CPU 2m 7.00s WALL This run was terminated on: 19:23:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=