Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:21: 9 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: ./ScIn3.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 63 32 9 2281 820 131 Max 64 33 10 2285 835 136 Sum 2285 1161 349 82201 29711 4801 bravais-lattice index = 14 lattice parameter (alat) = 8.4603 a.u. unit-cell volume = 605.5609 (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 = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.460303 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 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) Sc 11.00 44.95590 Sc( 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= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 Dense grid: 82201 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 29711 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 216, 60) NL pseudopotentials 0.22 Mb ( 108, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2284) G-vector shells 0.00 Mb ( 469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 216, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.25 Mb ( 136, 2, 60) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ScIn3.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.8 secs Computing kpt #: 15 total cpu time spent up to now is 10.3 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.3 secs Computing kpt #: 18 total cpu time spent up to now is 11.8 secs Computing kpt #: 19 total cpu time spent up to now is 12.3 secs Computing kpt #: 20 total cpu time spent up to now is 12.7 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.7 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.6 secs Computing kpt #: 25 total cpu time spent up to now is 15.1 secs Computing kpt #: 26 total cpu time spent up to now is 15.7 secs Computing kpt #: 27 total cpu time spent up to now is 16.2 secs Computing kpt #: 28 total cpu time spent up to now is 16.7 secs Computing kpt #: 29 total cpu time spent up to now is 17.2 secs Computing kpt #: 30 total cpu time spent up to now is 17.7 secs Computing kpt #: 31 total cpu time spent up to now is 18.3 secs Computing kpt #: 32 total cpu time spent up to now is 18.8 secs Computing kpt #: 33 total cpu time spent up to now is 19.4 secs Computing kpt #: 34 total cpu time spent up to now is 20.1 secs Computing kpt #: 35 total cpu time spent up to now is 20.7 secs Computing kpt #: 36 total cpu time spent up to now is 21.3 secs Computing kpt #: 37 total cpu time spent up to now is 21.8 secs Computing kpt #: 38 total cpu time spent up to now is 22.4 secs Computing kpt #: 39 total cpu time spent up to now is 23.0 secs Computing kpt #: 40 total cpu time spent up to now is 23.5 secs Computing kpt #: 41 total cpu time spent up to now is 24.1 secs Computing kpt #: 42 total cpu time spent up to now is 24.6 secs Computing kpt #: 43 total cpu time spent up to now is 25.1 secs Computing kpt #: 44 total cpu time spent up to now is 25.6 secs Computing kpt #: 45 total cpu time spent up to now is 26.1 secs Computing kpt #: 46 total cpu time spent up to now is 26.6 secs Computing kpt #: 47 total cpu time spent up to now is 27.1 secs Computing kpt #: 48 total cpu time spent up to now is 27.6 secs Computing kpt #: 49 total cpu time spent up to now is 28.2 secs Computing kpt #: 50 total cpu time spent up to now is 28.8 secs Computing kpt #: 51 total cpu time spent up to now is 29.4 secs Computing kpt #: 52 total cpu time spent up to now is 30.0 secs Computing kpt #: 53 total cpu time spent up to now is 30.6 secs Computing kpt #: 54 total cpu time spent up to now is 31.0 secs Computing kpt #: 55 total cpu time spent up to now is 31.5 secs Computing kpt #: 56 total cpu time spent up to now is 32.0 secs Computing kpt #: 57 total cpu time spent up to now is 32.4 secs Computing kpt #: 58 total cpu time spent up to now is 32.9 secs Computing kpt #: 59 total cpu time spent up to now is 33.3 secs Computing kpt #: 60 total cpu time spent up to now is 33.8 secs Computing kpt #: 61 total cpu time spent up to now is 34.3 secs Computing kpt #: 62 total cpu time spent up to now is 34.7 secs Computing kpt #: 63 total cpu time spent up to now is 35.2 secs Computing kpt #: 64 total cpu time spent up to now is 35.6 secs Computing kpt #: 65 total cpu time spent up to now is 36.1 secs Computing kpt #: 66 total cpu time spent up to now is 36.5 secs Computing kpt #: 67 total cpu time spent up to now is 37.0 secs Computing kpt #: 68 total cpu time spent up to now is 37.5 secs Computing kpt #: 69 total cpu time spent up to now is 38.0 secs Computing kpt #: 70 total cpu time spent up to now is 38.5 secs Computing kpt #: 71 total cpu time spent up to now is 39.0 secs Computing kpt #: 72 total cpu time spent up to now is 39.5 secs Computing kpt #: 73 total cpu time spent up to now is 40.0 secs Computing kpt #: 74 total cpu time spent up to now is 40.7 secs Computing kpt #: 75 total cpu time spent up to now is 41.3 secs Computing kpt #: 76 total cpu time spent up to now is 41.9 secs Computing kpt #: 77 total cpu time spent up to now is 42.4 secs Computing kpt #: 78 total cpu time spent up to now is 42.9 secs Computing kpt #: 79 total cpu time spent up to now is 43.4 secs Computing kpt #: 80 total cpu time spent up to now is 43.9 secs Computing kpt #: 81 total cpu time spent up to now is 44.4 secs Computing kpt #: 82 total cpu time spent up to now is 44.8 secs Computing kpt #: 83 total cpu time spent up to now is 45.3 secs Computing kpt #: 84 total cpu time spent up to now is 45.8 secs Computing kpt #: 85 total cpu time spent up to now is 46.2 secs Computing kpt #: 86 total cpu time spent up to now is 46.7 secs Computing kpt #: 87 total cpu time spent up to now is 47.1 secs Computing kpt #: 88 total cpu time spent up to now is 47.6 secs Computing kpt #: 89 total cpu time spent up to now is 48.1 secs Computing kpt #: 90 total cpu time spent up to now is 48.5 secs Computing kpt #: 91 total cpu time spent up to now is 48.9 secs Computing kpt #: 92 total cpu time spent up to now is 49.4 secs Computing kpt #: 93 total cpu time spent up to now is 49.8 secs Computing kpt #: 94 total cpu time spent up to now is 50.3 secs Computing kpt #: 95 total cpu time spent up to now is 50.7 secs Computing kpt #: 96 total cpu time spent up to now is 51.2 secs Computing kpt #: 97 total cpu time spent up to now is 51.7 secs Computing kpt #: 98 total cpu time spent up to now is 52.1 secs Computing kpt #: 99 total cpu time spent up to now is 52.6 secs Computing kpt #: 100 total cpu time spent up to now is 53.2 secs Computing kpt #: 101 total cpu time spent up to now is 53.8 secs Computing kpt #: 102 total cpu time spent up to now is 54.5 secs Computing kpt #: 103 total cpu time spent up to now is 55.0 secs Computing kpt #: 104 total cpu time spent up to now is 55.4 secs Computing kpt #: 105 total cpu time spent up to now is 55.9 secs Computing kpt #: 106 total cpu time spent up to now is 56.4 secs Computing kpt #: 107 total cpu time spent up to now is 56.9 secs Computing kpt #: 108 total cpu time spent up to now is 57.5 secs Computing kpt #: 109 total cpu time spent up to now is 58.2 secs Computing kpt #: 110 total cpu time spent up to now is 58.8 secs Computing kpt #: 111 total cpu time spent up to now is 59.2 secs Computing kpt #: 112 total cpu time spent up to now is 59.7 secs Computing kpt #: 113 total cpu time spent up to now is 60.1 secs Computing kpt #: 114 total cpu time spent up to now is 60.6 secs Computing kpt #: 115 total cpu time spent up to now is 61.1 secs Computing kpt #: 116 total cpu time spent up to now is 61.5 secs Computing kpt #: 117 total cpu time spent up to now is 62.0 secs Computing kpt #: 118 total cpu time spent up to now is 62.6 secs Computing kpt #: 119 total cpu time spent up to now is 63.2 secs Computing kpt #: 120 total cpu time spent up to now is 63.8 secs Computing kpt #: 121 total cpu time spent up to now is 64.3 secs Computing kpt #: 122 total cpu time spent up to now is 64.9 secs Computing kpt #: 123 total cpu time spent up to now is 65.5 secs Computing kpt #: 124 total cpu time spent up to now is 66.1 secs Computing kpt #: 125 total cpu time spent up to now is 66.6 secs Computing kpt #: 126 total cpu time spent up to now is 67.2 secs Computing kpt #: 127 total cpu time spent up to now is 67.7 secs Computing kpt #: 128 total cpu time spent up to now is 68.3 secs Computing kpt #: 129 total cpu time spent up to now is 68.9 secs Computing kpt #: 130 total cpu time spent up to now is 69.5 secs Computing kpt #: 131 total cpu time spent up to now is 70.1 secs Computing kpt #: 132 total cpu time spent up to now is 70.7 secs Computing kpt #: 133 total cpu time spent up to now is 71.1 secs Computing kpt #: 134 total cpu time spent up to now is 71.6 secs Computing kpt #: 135 total cpu time spent up to now is 72.1 secs Computing kpt #: 136 total cpu time spent up to now is 72.6 secs Computing kpt #: 137 total cpu time spent up to now is 73.0 secs Computing kpt #: 138 total cpu time spent up to now is 73.5 secs Computing kpt #: 139 total cpu time spent up to now is 74.0 secs Computing kpt #: 140 total cpu time spent up to now is 74.4 secs Computing kpt #: 141 total cpu time spent up to now is 74.9 secs Computing kpt #: 142 total cpu time spent up to now is 75.4 secs Computing kpt #: 143 total cpu time spent up to now is 75.8 secs Computing kpt #: 144 total cpu time spent up to now is 76.3 secs Computing kpt #: 145 total cpu time spent up to now is 76.7 secs Computing kpt #: 146 total cpu time spent up to now is 77.2 secs Computing kpt #: 147 total cpu time spent up to now is 77.7 secs Computing kpt #: 148 total cpu time spent up to now is 78.1 secs Computing kpt #: 149 total cpu time spent up to now is 78.6 secs Computing kpt #: 150 total cpu time spent up to now is 79.1 secs Computing kpt #: 151 total cpu time spent up to now is 79.6 secs Computing kpt #: 152 total cpu time spent up to now is 80.2 secs Computing kpt #: 153 total cpu time spent up to now is 80.8 secs Computing kpt #: 154 total cpu time spent up to now is 81.4 secs Computing kpt #: 155 total cpu time spent up to now is 82.0 secs Computing kpt #: 156 total cpu time spent up to now is 82.6 secs Computing kpt #: 157 total cpu time spent up to now is 83.2 secs Computing kpt #: 158 total cpu time spent up to now is 83.7 secs Computing kpt #: 159 total cpu time spent up to now is 84.3 secs Computing kpt #: 160 total cpu time spent up to now is 84.9 secs Computing kpt #: 161 total cpu time spent up to now is 85.4 secs Computing kpt #: 162 total cpu time spent up to now is 86.0 secs Computing kpt #: 163 total cpu time spent up to now is 86.6 secs Computing kpt #: 164 total cpu time spent up to now is 87.2 secs Computing kpt #: 165 total cpu time spent up to now is 87.8 secs Computing kpt #: 166 total cpu time spent up to now is 88.4 secs Computing kpt #: 167 total cpu time spent up to now is 89.0 secs Computing kpt #: 168 total cpu time spent up to now is 89.6 secs Computing kpt #: 169 total cpu time spent up to now is 90.2 secs Computing kpt #: 170 total cpu time spent up to now is 90.8 secs Computing kpt #: 171 total cpu time spent up to now is 91.4 secs Computing kpt #: 172 total cpu time spent up to now is 91.9 secs Computing kpt #: 173 total cpu time spent up to now is 92.5 secs Computing kpt #: 174 total cpu time spent up to now is 93.1 secs Computing kpt #: 175 total cpu time spent up to now is 93.7 secs Computing kpt #: 176 total cpu time spent up to now is 94.3 secs Computing kpt #: 177 total cpu time spent up to now is 94.9 secs Computing kpt #: 178 total cpu time spent up to now is 95.5 secs Computing kpt #: 179 total cpu time spent up to now is 96.0 secs Computing kpt #: 180 total cpu time spent up to now is 96.6 secs Computing kpt #: 181 total cpu time spent up to now is 97.2 secs Computing kpt #: 182 total cpu time spent up to now is 97.7 secs Computing kpt #: 183 total cpu time spent up to now is 98.3 secs Computing kpt #: 184 total cpu time spent up to now is 98.9 secs Computing kpt #: 185 total cpu time spent up to now is 99.5 secs Computing kpt #: 186 total cpu time spent up to now is 100.2 secs Computing kpt #: 187 total cpu time spent up to now is 100.6 secs Computing kpt #: 188 total cpu time spent up to now is 101.2 secs Computing kpt #: 189 total cpu time spent up to now is 101.7 secs Computing kpt #: 190 total cpu time spent up to now is 102.3 secs Computing kpt #: 191 total cpu time spent up to now is 102.9 secs Computing kpt #: 192 total cpu time spent up to now is 103.5 secs Computing kpt #: 193 total cpu time spent up to now is 104.0 secs Computing kpt #: 194 total cpu time spent up to now is 104.6 secs Computing kpt #: 195 total cpu time spent up to now is 105.1 secs Computing kpt #: 196 total cpu time spent up to now is 105.6 secs Computing kpt #: 197 total cpu time spent up to now is 106.2 secs Computing kpt #: 198 total cpu time spent up to now is 106.7 secs Computing kpt #: 199 total cpu time spent up to now is 107.2 secs Computing kpt #: 200 total cpu time spent up to now is 107.7 secs Computing kpt #: 201 total cpu time spent up to now is 108.2 secs Computing kpt #: 202 total cpu time spent up to now is 108.7 secs Computing kpt #: 203 total cpu time spent up to now is 109.2 secs Computing kpt #: 204 total cpu time spent up to now is 109.7 secs Computing kpt #: 205 total cpu time spent up to now is 110.2 secs Computing kpt #: 206 total cpu time spent up to now is 110.7 secs Computing kpt #: 207 total cpu time spent up to now is 111.2 secs Computing kpt #: 208 total cpu time spent up to now is 111.6 secs Computing kpt #: 209 total cpu time spent up to now is 112.1 secs Computing kpt #: 210 total cpu time spent up to now is 112.5 secs Computing kpt #: 211 total cpu time spent up to now is 113.0 secs Computing kpt #: 212 total cpu time spent up to now is 113.4 secs Computing kpt #: 213 total cpu time spent up to now is 113.9 secs Computing kpt #: 214 total cpu time spent up to now is 114.3 secs Computing kpt #: 215 total cpu time spent up to now is 114.8 secs Computing kpt #: 216 total cpu time spent up to now is 115.2 secs Computing kpt #: 217 total cpu time spent up to now is 115.6 secs Computing kpt #: 218 total cpu time spent up to now is 116.1 secs Computing kpt #: 219 total cpu time spent up to now is 116.5 secs Computing kpt #: 220 total cpu time spent up to now is 117.0 secs Computing kpt #: 221 total cpu time spent up to now is 117.4 secs Computing kpt #: 222 total cpu time spent up to now is 117.8 secs Computing kpt #: 223 total cpu time spent up to now is 118.3 secs Computing kpt #: 224 total cpu time spent up to now is 118.7 secs Computing kpt #: 225 total cpu time spent up to now is 119.2 secs Computing kpt #: 226 total cpu time spent up to now is 119.6 secs Computing kpt #: 227 total cpu time spent up to now is 120.1 secs Computing kpt #: 228 total cpu time spent up to now is 120.6 secs Computing kpt #: 229 total cpu time spent up to now is 121.1 secs Computing kpt #: 230 total cpu time spent up to now is 121.6 secs Computing kpt #: 231 total cpu time spent up to now is 122.1 secs Computing kpt #: 232 total cpu time spent up to now is 122.6 secs Computing kpt #: 233 total cpu time spent up to now is 123.1 secs Computing kpt #: 234 total cpu time spent up to now is 123.6 secs Computing kpt #: 235 total cpu time spent up to now is 124.1 secs Computing kpt #: 236 total cpu time spent up to now is 124.7 secs Computing kpt #: 237 total cpu time spent up to now is 125.2 secs Computing kpt #: 238 total cpu time spent up to now is 125.8 secs Computing kpt #: 239 total cpu time spent up to now is 126.4 secs Computing kpt #: 240 total cpu time spent up to now is 126.9 secs Computing kpt #: 241 total cpu time spent up to now is 127.4 secs Computing kpt #: 242 total cpu time spent up to now is 127.9 secs Computing kpt #: 243 total cpu time spent up to now is 128.4 secs Computing kpt #: 244 total cpu time spent up to now is 128.9 secs Computing kpt #: 245 total cpu time spent up to now is 129.4 secs Computing kpt #: 246 total cpu time spent up to now is 129.9 secs Computing kpt #: 247 total cpu time spent up to now is 130.4 secs Computing kpt #: 248 total cpu time spent up to now is 130.9 secs Computing kpt #: 249 total cpu time spent up to now is 131.4 secs Computing kpt #: 250 total cpu time spent up to now is 131.9 secs Computing kpt #: 251 total cpu time spent up to now is 132.4 secs Computing kpt #: 252 total cpu time spent up to now is 132.9 secs Computing kpt #: 253 total cpu time spent up to now is 133.4 secs Computing kpt #: 254 total cpu time spent up to now is 133.9 secs Computing kpt #: 255 total cpu time spent up to now is 134.4 secs Computing kpt #: 256 total cpu time spent up to now is 134.9 secs Computing kpt #: 257 total cpu time spent up to now is 135.5 secs Computing kpt #: 258 total cpu time spent up to now is 136.0 secs Computing kpt #: 259 total cpu time spent up to now is 136.6 secs Computing kpt #: 260 total cpu time spent up to now is 137.2 secs Computing kpt #: 261 total cpu time spent up to now is 137.8 secs Computing kpt #: 262 total cpu time spent up to now is 138.3 secs Computing kpt #: 263 total cpu time spent up to now is 138.8 secs Computing kpt #: 264 total cpu time spent up to now is 139.4 secs Computing kpt #: 265 total cpu time spent up to now is 139.9 secs Computing kpt #: 266 total cpu time spent up to now is 140.5 secs Computing kpt #: 267 total cpu time spent up to now is 141.1 secs Computing kpt #: 268 total cpu time spent up to now is 141.7 secs Computing kpt #: 269 total cpu time spent up to now is 142.3 secs Computing kpt #: 270 total cpu time spent up to now is 142.9 secs Computing kpt #: 271 total cpu time spent up to now is 143.5 secs Computing kpt #: 272 total cpu time spent up to now is 144.1 secs Computing kpt #: 273 total cpu time spent up to now is 144.7 secs Computing kpt #: 274 total cpu time spent up to now is 145.2 secs Computing kpt #: 275 total cpu time spent up to now is 145.7 secs ethr = 2.00E-08, avg # of iterations = 19.0 total cpu time spent up to now is 145.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1631 -16.1631 -16.1631 -16.1631 -3.0691 -3.0691 -3.0691 -3.0691 -3.0384 -3.0384 -3.0372 -3.0372 -2.9290 -2.9290 -2.9290 -2.9290 -2.1886 -2.1886 -2.1886 -2.1886 -2.1705 -2.1705 -2.0658 -2.0658 -2.0658 -2.0658 -2.0141 -2.0141 -1.8542 -1.8542 -1.7821 -1.7821 -1.7821 -1.7821 2.3515 2.3515 9.6699 9.6699 9.6699 9.6699 10.2096 10.2096 10.2096 10.2096 10.3709 10.3709 13.5740 13.5740 13.5740 13.5740 13.5815 13.5815 14.6848 14.6848 15.0355 15.0355 k = 0.0000 0.0139-0.0000 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1632 -16.1632 -16.1631 -16.1631 -3.0691 -3.0691 -3.0690 -3.0690 -3.0382 -3.0382 -3.0371 -3.0371 -2.9289 -2.9289 -2.9289 -2.9289 -2.1886 -2.1886 -2.1885 -2.1885 -2.1705 -2.1705 -2.0659 -2.0659 -2.0658 -2.0658 -2.0142 -2.0142 -1.8544 -1.8544 -1.7824 -1.7824 -1.7823 -1.7823 2.3530 2.3530 9.6286 9.6286 9.6711 9.6711 10.2105 10.2105 10.2356 10.2356 10.3842 10.3842 13.5726 13.5726 13.5736 13.5736 13.5810 13.5810 14.6901 14.6901 15.0250 15.0250 k = 0.0000 0.0278-0.0000 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1632 -16.1632 -16.1631 -16.1631 -3.0689 -3.0689 -3.0684 -3.0684 -3.0378 -3.0378 -3.0366 -3.0366 -2.9288 -2.9288 -2.9287 -2.9287 -2.1886 -2.1886 -2.1881 -2.1881 -2.1704 -2.1704 -2.0659 -2.0659 -2.0659 -2.0659 -2.0147 -2.0147 -1.8547 -1.8547 -1.7833 -1.7833 -1.7827 -1.7827 2.3577 2.3577 9.5267 9.5267 9.6746 9.6746 10.2133 10.2133 10.2795 10.2795 10.4363 10.4363 13.5686 13.5686 13.5723 13.5723 13.5796 13.5796 14.7058 14.7058 14.9941 14.9941 k = 0.0000 0.0417-0.0000 ( 3751 PWs) bands (ev): -37.6849 -37.6849 -16.6684 -16.6684 -16.1633 -16.1633 -16.1632 -16.1632 -3.0686 -3.0686 -3.0675 -3.0675 -3.0372 -3.0372 -3.0359 -3.0359 -2.9286 -2.9286 -2.9284 -2.9284 -2.1887 -2.1887 -2.1876 -2.1876 -2.1704 -2.1704 -2.0661 -2.0661 -2.0660 -2.0660 -2.0155 -2.0155 -1.8555 -1.8555 -1.7849 -1.7849 -1.7836 -1.7836 2.3654 2.3654 9.3946 9.3946 9.6806 9.6806 10.2179 10.2179 10.3062 10.3062 10.5320 10.5320 13.5620 13.5620 13.5690 13.5690 13.5784 13.5784 14.7306 14.7306 14.9446 14.9446 k = 0.0000 0.0556-0.0000 ( 3759 PWs) bands (ev): -37.6849 -37.6849 -16.6684 -16.6684 -16.1634 -16.1634 -16.1632 -16.1632 -3.0682 -3.0682 -3.0663 -3.0663 -3.0363 -3.0363 -3.0349 -3.0349 -2.9284 -2.9284 -2.9279 -2.9279 -2.1887 -2.1887 -2.1870 -2.1870 -2.1703 -2.1703 -2.0663 -2.0663 -2.0661 -2.0661 -2.0167 -2.0167 -1.8564 -1.8564 -1.7871 -1.7871 -1.7846 -1.7846 2.3763 2.3763 9.2477 9.2477 9.6890 9.6890 10.2243 10.2243 10.3221 10.3221 10.6494 10.6494 13.5530 13.5530 13.5635 13.5635 13.5779 13.5779 14.7622 14.7622 14.8788 14.8788 k = 0.0000 0.0694-0.0000 ( 3759 PWs) bands (ev): -37.6849 -37.6849 -16.6685 -16.6685 -16.1635 -16.1635 -16.1632 -16.1632 -3.0676 -3.0676 -3.0647 -3.0647 -3.0350 -3.0350 -3.0336 -3.0336 -2.9281 -2.9281 -2.9273 -2.9273 -2.1887 -2.1887 -2.1860 -2.1860 -2.1701 -2.1701 -2.0665 -2.0665 -2.0662 -2.0662 -2.0180 -2.0180 -1.8576 -1.8576 -1.7898 -1.7898 -1.7859 -1.7859 2.3903 2.3903 9.0928 9.0928 9.6997 9.6997 10.2324 10.2324 10.3354 10.3354 10.7736 10.7736 13.5418 13.5418 13.5561 13.5561 13.5777 13.5777 14.7970 14.7970 14.7994 14.7994 k = 0.0000 0.0833-0.0000 ( 3751 PWs) bands (ev): -37.6849 -37.6849 -16.6685 -16.6685 -16.1636 -16.1636 -16.1632 -16.1632 -3.0669 -3.0669 -3.0625 -3.0625 -3.0335 -3.0335 -3.0320 -3.0320 -2.9275 -2.9275 -2.9266 -2.9266 -2.1887 -2.1887 -2.1849 -2.1849 -2.1698 -2.1698 -2.0664 -2.0664 -2.0663 -2.0663 -2.0197 -2.0197 -1.8589 -1.8589 -1.7929 -1.7929 -1.7874 -1.7874 2.4073 2.4073 8.9333 8.9333 9.7129 9.7129 10.2423 10.2423 10.3489 10.3489 10.8988 10.8988 13.5286 13.5286 13.5473 13.5473 13.5778 13.5778 14.7088 14.7088 14.8307 14.8307 k = 0.0000 0.0972-0.0000 ( 3759 PWs) bands (ev): -37.6849 -37.6849 -16.6686 -16.6686 -16.1638 -16.1638 -16.1632 -16.1632 -3.0662 -3.0662 -3.0603 -3.0603 -3.0318 -3.0318 -3.0302 -3.0302 -2.9270 -2.9270 -2.9259 -2.9259 -2.1889 -2.1889 -2.1836 -2.1836 -2.1695 -2.1695 -2.0668 -2.0668 -2.0665 -2.0665 -2.0216 -2.0216 -1.8607 -1.8607 -1.7967 -1.7967 -1.7893 -1.7893 2.4275 2.4275 8.7708 8.7708 9.7285 9.7285 10.2538 10.2538 10.3633 10.3633 11.0224 11.0224 13.5137 13.5137 13.5373 13.5373 13.5780 13.5780 14.6091 14.6091 14.8593 14.8593 k = 0.0000 0.1111-0.0000 ( 3767 PWs) bands (ev): -37.6848 -37.6848 -16.6687 -16.6687 -16.1641 -16.1641 -16.1632 -16.1632 -3.0654 -3.0654 -3.0578 -3.0578 -3.0297 -3.0297 -3.0281 -3.0281 -2.9265 -2.9265 -2.9250 -2.9250 -2.1891 -2.1891 -2.1821 -2.1821 -2.1692 -2.1692 -2.0672 -2.0672 -2.0667 -2.0667 -2.0239 -2.0239 -1.8626 -1.8626 -1.8010 -1.8010 -1.7914 -1.7914 2.4508 2.4508 8.6066 8.6066 9.7465 9.7465 10.2668 10.2668 10.3792 10.3792 11.1432 11.1432 13.4974 13.4974 13.5264 13.5264 13.5782 13.5782 14.5023 14.5023 14.8816 14.8816 k = 0.0000 0.1250-0.0000 ( 3767 PWs) bands (ev): -37.6848 -37.6848 -16.6688 -16.6688 -16.1643 -16.1643 -16.1632 -16.1632 -3.0645 -3.0645 -3.0549 -3.0549 -3.0273 -3.0273 -3.0257 -3.0257 -2.9259 -2.9259 -2.9240 -2.9240 -2.1892 -2.1892 -2.1805 -2.1805 -2.1687 -2.1687 -2.0677 -2.0677 -2.0669 -2.0669 -2.0263 -2.0263 -1.8646 -1.8646 -1.8057 -1.8057 -1.7936 -1.7936 2.4771 2.4771 8.4414 8.4414 9.7669 9.7669 10.2814 10.2814 10.3965 10.3965 11.2606 11.2606 13.4800 13.4800 13.5150 13.5150 13.5786 13.5786 14.3899 14.3899 14.8982 14.8982 k = 0.0000 0.1389-0.0000 ( 3779 PWs) bands (ev): -37.6848 -37.6848 -16.6690 -16.6690 -16.1645 -16.1645 -16.1633 -16.1633 -3.0636 -3.0636 -3.0517 -3.0517 -3.0247 -3.0247 -3.0231 -3.0231 -2.9254 -2.9254 -2.9228 -2.9228 -2.1894 -2.1894 -2.1789 -2.1789 -2.1681 -2.1681 -2.0683 -2.0683 -2.0672 -2.0672 -2.0291 -2.0291 -1.8670 -1.8670 -1.8111 -1.8111 -1.7963 -1.7963 2.5065 2.5065 8.2758 8.2758 9.7897 9.7897 10.2972 10.2972 10.4152 10.4152 11.3743 11.3743 13.4618 13.4618 13.5033 13.5033 13.5789 13.5789 14.2731 14.2731 14.9105 14.9105 k = 0.0000 0.1528-0.0000 ( 3771 PWs) bands (ev): -37.6848 -37.6848 -16.6691 -16.6691 -16.1648 -16.1648 -16.1633 -16.1633 -3.0626 -3.0626 -3.0482 -3.0482 -3.0217 -3.0217 -3.0201 -3.0201 -2.9245 -2.9245 -2.9217 -2.9217 -2.1896 -2.1896 -2.1771 -2.1771 -2.1671 -2.1671 -2.0689 -2.0689 -2.0674 -2.0674 -2.0317 -2.0317 -1.8695 -1.8695 -1.8165 -1.8165 -1.7988 -1.7988 2.5390 2.5390 8.1102 8.1102 9.8149 9.8149 10.3144 10.3144 10.4354 10.4354 11.4845 11.4845 13.4433 13.4433 13.4917 13.4917 13.5793 13.5793 14.1529 14.1529 14.9198 14.9198 k = 0.0000 0.1667-0.0000 ( 3771 PWs) bands (ev): -37.6848 -37.6848 -16.6692 -16.6692 -16.1650 -16.1650 -16.1633 -16.1633 -3.0617 -3.0617 -3.0445 -3.0445 -3.0185 -3.0185 -3.0171 -3.0171 -2.9237 -2.9237 -2.9204 -2.9204 -2.1898 -2.1898 -2.1755 -2.1755 -2.1659 -2.1659 -2.0696 -2.0696 -2.0676 -2.0676 -2.0346 -2.0346 -1.8722 -1.8722 -1.8224 -1.8224 -1.8015 -1.8015 2.5746 2.5746 7.9451 7.9451 9.8426 9.8426 10.3326 10.3326 10.4569 10.4569 11.5911 11.5911 13.4247 13.4247 13.4804 13.4804 13.5797 13.5797 14.0302 14.0302 14.9269 14.9269 k = 0.0000 0.1806-0.0000 ( 3763 PWs) bands (ev): -37.6848 -37.6848 -16.6693 -16.6693 -16.1653 -16.1653 -16.1633 -16.1633 -3.0606 -3.0606 -3.0405 -3.0405 -3.0148 -3.0148 -3.0138 -3.0138 -2.9229 -2.9229 -2.9191 -2.9191 -2.1901 -2.1901 -2.1740 -2.1740 -2.1641 -2.1641 -2.0705 -2.0705 -2.0678 -2.0678 -2.0376 -2.0376 -1.8751 -1.8751 -1.8287 -1.8287 -1.8042 -1.8042 2.6132 2.6132 7.7807 7.7807 9.8728 9.8728 10.3519 10.3519 10.4795 10.4795 11.6944 11.6944 13.4063 13.4063 13.4697 13.4697 13.5802 13.5802 13.9058 13.9058 14.9325 14.9325 k = 0.0000 0.1944-0.0000 ( 3759 PWs) bands (ev): -37.6848 -37.6848 -16.6694 -16.6694 -16.1656 -16.1656 -16.1633 -16.1633 -3.0596 -3.0596 -3.0364 -3.0364 -3.0111 -3.0111 -3.0103 -3.0103 -2.9220 -2.9220 -2.9178 -2.9178 -2.1905 -2.1905 -2.1728 -2.1728 -2.1619 -2.1619 -2.0713 -2.0713 -2.0681 -2.0681 -2.0407 -2.0407 -1.8783 -1.8783 -1.8353 -1.8353 -1.8071 -1.8071 2.6549 2.6549 7.6174 7.6174 9.9054 9.9054 10.3720 10.3720 10.5032 10.5032 11.7947 11.7947 13.3885 13.3885 13.4598 13.4598 13.5807 13.5807 13.7801 13.7801 14.9369 14.9369 k = 0.0000 0.2083-0.0000 ( 3759 PWs) bands (ev): -37.6848 -37.6848 -16.6696 -16.6696 -16.1659 -16.1659 -16.1633 -16.1633 -3.0586 -3.0586 -3.0322 -3.0322 -3.0071 -3.0071 -3.0067 -3.0067 -2.9211 -2.9211 -2.9165 -2.9165 -2.1910 -2.1910 -2.1718 -2.1718 -2.1593 -2.1593 -2.0724 -2.0724 -2.0683 -2.0683 -2.0439 -2.0439 -1.8817 -1.8817 -1.8422 -1.8422 -1.8100 -1.8100 2.6995 2.6995 7.4553 7.4553 9.9404 9.9404 10.3929 10.3929 10.5278 10.5278 11.8924 11.8924 13.3714 13.3714 13.4509 13.4509 13.5812 13.5812 13.6539 13.6539 14.9402 14.9402 k = 0.0000 0.2222-0.0000 ( 3747 PWs) bands (ev): -37.6848 -37.6848 -16.6697 -16.6697 -16.1661 -16.1661 -16.1633 -16.1633 -3.0576 -3.0576 -3.0277 -3.0277 -3.0030 -3.0030 -3.0028 -3.0028 -2.9202 -2.9202 -2.9150 -2.9150 -2.1916 -2.1916 -2.1710 -2.1710 -2.1562 -2.1562 -2.0735 -2.0735 -2.0686 -2.0686 -2.0469 -2.0469 -1.8852 -1.8852 -1.8491 -1.8491 -1.8129 -1.8129 2.7472 2.7472 7.2947 7.2947 9.9779 9.9779 10.4143 10.4143 10.5531 10.5531 11.9878 11.9878 13.3555 13.3555 13.4433 13.4433 13.5274 13.5274 13.5819 13.5819 14.9426 14.9426 k = 0.0000 0.2361-0.0000 ( 3743 PWs) bands (ev): -37.6847 -37.6847 -16.6698 -16.6698 -16.1664 -16.1664 -16.1633 -16.1633 -3.0566 -3.0566 -3.0233 -3.0233 -2.9991 -2.9991 -2.9985 -2.9985 -2.9193 -2.9193 -2.9137 -2.9137 -2.1924 -2.1924 -2.1703 -2.1703 -2.1529 -2.1529 -2.0748 -2.0748 -2.0685 -2.0685 -2.0501 -2.0501 -1.8891 -1.8891 -1.8562 -1.8562 -1.8158 -1.8158 2.7979 2.7979 7.1359 7.1359 10.0179 10.0179 10.4361 10.4361 10.5789 10.5789 12.0813 12.0813 13.3409 13.3409 13.3996 13.3996 13.4388 13.4388 13.5824 13.5824 14.9440 14.9440 k = 0.0000 0.2500-0.0000 ( 3719 PWs) bands (ev): -37.6847 -37.6847 -16.6699 -16.6699 -16.1667 -16.1667 -16.1633 -16.1633 -3.0555 -3.0555 -3.0186 -3.0186 -2.9950 -2.9950 -2.9938 -2.9938 -2.9182 -2.9182 -2.9123 -2.9123 -2.1930 -2.1930 -2.1695 -2.1695 -2.1492 -2.1492 -2.0761 -2.0761 -2.0686 -2.0686 -2.0529 -2.0529 -1.8932 -1.8932 -1.8630 -1.8630 -1.8186 -1.8186 2.8514 2.8514 6.9789 6.9789 10.0603 10.0603 10.4582 10.4582 10.6051 10.6051 12.1730 12.1730 13.2743 13.2743 13.3278 13.3278 13.4341 13.4341 13.5830 13.5830 14.9443 14.9443 k = 0.0000 0.2639-0.0000 ( 3723 PWs) bands (ev): -37.6847 -37.6847 -16.6701 -16.6701 -16.1670 -16.1670 -16.1633 -16.1633 -3.0546 -3.0546 -3.0142 -3.0142 -2.9910 -2.9910 -2.9892 -2.9892 -2.9174 -2.9174 -2.9111 -2.9111 -2.1941 -2.1941 -2.1689 -2.1689 -2.1453 -2.1453 -2.0776 -2.0776 -2.0689 -2.0689 -2.0559 -2.0559 -1.8978 -1.8978 -1.8702 -1.8702 -1.8215 -1.8215 2.9079 2.9079 6.8240 6.8240 10.1052 10.1052 10.4803 10.4803 10.6314 10.6314 12.2634 12.2634 13.1491 13.1491 13.3164 13.3164 13.4318 13.4318 13.5835 13.5835 14.9436 14.9436 k = 0.0000 0.2778-0.0000 ( 3739 PWs) bands (ev): -37.6847 -37.6847 -16.6703 -16.6703 -16.1674 -16.1674 -16.1634 -16.1634 -3.0537 -3.0537 -3.0099 -3.0099 -2.9870 -2.9870 -2.9847 -2.9847 -2.9166 -2.9166 -2.9101 -2.9101 -2.1956 -2.1956 -2.1683 -2.1683 -2.1414 -2.1414 -2.0792 -2.0792 -2.0692 -2.0692 -2.0588 -2.0588 -1.9030 -1.9030 -1.8770 -1.8770 -1.8247 -1.8247 2.9672 2.9672 6.6713 6.6713 10.1524 10.1524 10.5023 10.5023 10.6576 10.6576 12.3526 12.3526 13.0248 13.0248 13.3069 13.3069 13.4316 13.4316 13.5840 13.5840 14.9414 14.9414 k = 0.0000 0.2917-0.0000 ( 3731 PWs) bands (ev): -37.6847 -37.6847 -16.6704 -16.6704 -16.1677 -16.1677 -16.1634 -16.1634 -3.0527 -3.0527 -3.0055 -3.0055 -2.9828 -2.9828 -2.9800 -2.9800 -2.9157 -2.9157 -2.9090 -2.9090 -2.1969 -2.1969 -2.1676 -2.1676 -2.1372 -2.1372 -2.0808 -2.0808 -2.0693 -2.0693 -2.0614 -2.0614 -1.9085 -1.9085 -1.8834 -1.8834 -1.8273 -1.8273 3.0293 3.0293 6.5210 6.5210 10.2021 10.2021 10.5242 10.5242 10.6835 10.6835 12.4409 12.4409 12.9017 12.9017 13.2994 13.2994 13.4335 13.4335 13.5845 13.5845 14.9377 14.9377 k = 0.0000 0.3056-0.0000 ( 3723 PWs) bands (ev): -37.6847 -37.6847 -16.6705 -16.6705 -16.1679 -16.1679 -16.1634 -16.1634 -3.0516 -3.0516 -3.0013 -3.0013 -2.9787 -2.9787 -2.9751 -2.9751 -2.9148 -2.9148 -2.9081 -2.9081 -2.1984 -2.1984 -2.1669 -2.1669 -2.1328 -2.1328 -2.0823 -2.0823 -2.0694 -2.0694 -2.0639 -2.0639 -1.9145 -1.9145 -1.8891 -1.8891 -1.8300 -1.8300 3.0941 3.0941 6.3734 6.3734 10.2541 10.2541 10.5458 10.5458 10.7090 10.7090 12.5283 12.5283 12.7800 12.7800 13.2939 13.2939 13.4376 13.4376 13.5851 13.5851 14.9320 14.9320 k = 0.0000 0.3194-0.0000 ( 3731 PWs) bands (ev): -37.6847 -37.6847 -16.6707 -16.6707 -16.1683 -16.1683 -16.1634 -16.1634 -3.0508 -3.0508 -2.9972 -2.9972 -2.9746 -2.9746 -2.9704 -2.9704 -2.9140 -2.9140 -2.9074 -2.9074 -2.2002 -2.2002 -2.1663 -2.1663 -2.1284 -2.1284 -2.0839 -2.0839 -2.0695 -2.0695 -2.0664 -2.0664 -1.9214 -1.9214 -1.8945 -1.8945 -1.8325 -1.8325 3.1614 3.1614 6.2285 6.2285 10.3083 10.3083 10.5670 10.5670 10.7337 10.7337 12.6150 12.6150 12.6598 12.6598 13.2904 13.2904 13.4437 13.4437 13.5856 13.5856 14.9239 14.9239 k = 0.0000 0.3333-0.0000 ( 3731 PWs) bands (ev): -37.6847 -37.6847 -16.6708 -16.6708 -16.1685 -16.1685 -16.1634 -16.1634 -3.0500 -3.0500 -2.9933 -2.9933 -2.9705 -2.9705 -2.9657 -2.9657 -2.9132 -2.9132 -2.9069 -2.9069 -2.2020 -2.2020 -2.1657 -2.1657 -2.1238 -2.1238 -2.0854 -2.0854 -2.0696 -2.0696 -2.0686 -2.0686 -1.9284 -1.9284 -1.8994 -1.8994 -1.8349 -1.8349 3.2312 3.2312 6.0867 6.0867 10.3645 10.3645 10.5880 10.5880 10.7575 10.7575 12.5413 12.5413 12.7008 12.7008 13.2891 13.2891 13.4518 13.4518 13.5861 13.5861 14.9131 14.9131 k = 0.0000 0.3472-0.0000 ( 3727 PWs) bands (ev): -37.6846 -37.6846 -16.6709 -16.6709 -16.1688 -16.1688 -16.1634 -16.1634 -3.0492 -3.0492 -2.9896 -2.9896 -2.9665 -2.9665 -2.9610 -2.9610 -2.9124 -2.9124 -2.9064 -2.9064 -2.2039 -2.2039 -2.1650 -2.1650 -2.1192 -2.1192 -2.0867 -2.0867 -2.0707 -2.0707 -2.0695 -2.0695 -1.9357 -1.9357 -1.9037 -1.9037 -1.8371 -1.8371 3.3032 3.3032 5.9482 5.9482 10.4223 10.4223 10.6089 10.6089 10.7802 10.7802 12.4246 12.4246 12.7857 12.7857 13.2899 13.2899 13.4619 13.4619 13.5865 13.5865 14.8988 14.8988 k = 0.0000 0.3611-0.0000 ( 3727 PWs) bands (ev): -37.6846 -37.6846 -16.6711 -16.6711 -16.1691 -16.1691 -16.1634 -16.1634 -3.0486 -3.0486 -2.9862 -2.9862 -2.9627 -2.9627 -2.9563 -2.9563 -2.9119 -2.9119 -2.9061 -2.9061 -2.2058 -2.2058 -2.1644 -2.1644 -2.1145 -2.1145 -2.0881 -2.0881 -2.0726 -2.0726 -2.0694 -2.0694 -1.9430 -1.9430 -1.9078 -1.9078 -1.8392 -1.8392 3.3772 3.3772 5.8133 5.8133 10.4808 10.4808 10.6306 10.6306 10.8016 10.8016 12.3099 12.3099 12.8694 12.8694 13.2926 13.2926 13.4736 13.4736 13.5870 13.5870 14.8806 14.8806 k = 0.0000 0.3750-0.0000 ( 3723 PWs) bands (ev): -37.6846 -37.6846 -16.6712 -16.6712 -16.1693 -16.1693 -16.1634 -16.1634 -3.0479 -3.0479 -2.9830 -2.9830 -2.9589 -2.9589 -2.9518 -2.9518 -2.9112 -2.9112 -2.9061 -2.9061 -2.2077 -2.2077 -2.1636 -2.1636 -2.1099 -2.1099 -2.0891 -2.0891 -2.0745 -2.0745 -2.0690 -2.0690 -1.9505 -1.9505 -1.9113 -1.9113 -1.8411 -1.8411 3.4530 3.4530 5.6823 5.6823 10.5375 10.5375 10.6553 10.6553 10.8215 10.8215 12.1972 12.1972 12.9513 12.9513 13.2972 13.2972 13.4866 13.4866 13.5874 13.5874 14.8577 14.8577 k = 0.0000 0.3889-0.0000 ( 3720 PWs) bands (ev): -37.6846 -37.6846 -16.6713 -16.6713 -16.1695 -16.1695 -16.1634 -16.1634 -3.0473 -3.0473 -2.9801 -2.9801 -2.9555 -2.9555 -2.9474 -2.9474 -2.9107 -2.9107 -2.9062 -2.9062 -2.2096 -2.2096 -2.1630 -2.1630 -2.1054 -2.1054 -2.0900 -2.0900 -2.0763 -2.0763 -2.0685 -2.0685 -1.9580 -1.9580 -1.9145 -1.9145 -1.8428 -1.8428 3.5299 3.5299 5.5558 5.5558 10.5871 10.5871 10.6884 10.6884 10.8397 10.8397 12.0867 12.0867 13.0307 13.0307 13.3037 13.3037 13.5006 13.5006 13.5878 13.5878 14.8298 14.8298 k = 0.0000 0.4028-0.0000 ( 3728 PWs) bands (ev): -37.6846 -37.6846 -16.6714 -16.6714 -16.1697 -16.1697 -16.1634 -16.1634 -3.0467 -3.0467 -2.9776 -2.9776 -2.9523 -2.9523 -2.9433 -2.9433 -2.9102 -2.9102 -2.9067 -2.9067 -2.2116 -2.2116 -2.1625 -2.1625 -2.1014 -2.1014 -2.0906 -2.0906 -2.0780 -2.0780 -2.0678 -2.0678 -1.9653 -1.9653 -1.9174 -1.9174 -1.8445 -1.8445 3.6073 3.6073 5.4345 5.4345 10.6229 10.6229 10.7362 10.7362 10.8561 10.8561 11.9785 11.9785 13.1062 13.1062 13.3123 13.3123 13.5151 13.5151 13.5881 13.5881 14.7970 14.7970 k = 0.0000 0.4167-0.0000 ( 3720 PWs) bands (ev): -37.6846 -37.6846 -16.6714 -16.6714 -16.1698 -16.1698 -16.1634 -16.1634 -3.0463 -3.0463 -2.9753 -2.9753 -2.9493 -2.9493 -2.9393 -2.9393 -2.9096 -2.9096 -2.9073 -2.9073 -2.2133 -2.2133 -2.1619 -2.1619 -2.0976 -2.0976 -2.0908 -2.0908 -2.0796 -2.0796 -2.0667 -2.0667 -1.9722 -1.9722 -1.9199 -1.9199 -1.8457 -1.8457 3.6844 3.6844 5.3194 5.3194 10.6459 10.6459 10.7978 10.7978 10.8706 10.8706 11.8727 11.8727 13.1754 13.1754 13.3242 13.3242 13.5295 13.5295 13.5884 13.5884 14.7598 14.7598 k = 0.0000 0.4306-0.0000 ( 3728 PWs) bands (ev): -37.6846 -37.6846 -16.6715 -16.6715 -16.1700 -16.1700 -16.1635 -16.1635 -3.0461 -3.0461 -2.9734 -2.9734 -2.9468 -2.9468 -2.9356 -2.9356 -2.9093 -2.9093 -2.9082 -2.9082 -2.2148 -2.2148 -2.1616 -2.1616 -2.0944 -2.0944 -2.0911 -2.0911 -2.0811 -2.0811 -2.0654 -2.0654 -1.9787 -1.9787 -1.9223 -1.9223 -1.8468 -1.8468 3.7597 3.7597 5.2119 5.2119 10.6614 10.6614 10.8676 10.8676 10.8830 10.8830 11.7694 11.7694 13.2335 13.2335 13.3422 13.3422 13.5433 13.5433 13.5887 13.5887 14.7200 14.7200 k = 0.0000 0.4444-0.0000 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6716 -16.6716 -16.1701 -16.1701 -16.1635 -16.1635 -3.0457 -3.0457 -2.9719 -2.9719 -2.9447 -2.9447 -2.9322 -2.9322 -2.9092 -2.9092 -2.9090 -2.9090 -2.2162 -2.2162 -2.1612 -2.1612 -2.0918 -2.0918 -2.0912 -2.0912 -2.0824 -2.0824 -2.0637 -2.0637 -1.9848 -1.9848 -1.9242 -1.9242 -1.8478 -1.8478 3.8310 3.8310 5.1141 5.1141 10.6726 10.6726 10.8933 10.8933 10.9422 10.9422 11.6688 11.6688 13.2733 13.2733 13.3710 13.3710 13.5558 13.5558 13.5889 13.5889 14.6798 14.6798 k = 0.0000 0.4583-0.0000 ( 3724 PWs) bands (ev): -37.6846 -37.6846 -16.6716 -16.6716 -16.1702 -16.1702 -16.1635 -16.1635 -3.0455 -3.0455 -2.9706 -2.9706 -2.9429 -2.9429 -2.9290 -2.9290 -2.9103 -2.9103 -2.9088 -2.9088 -2.2171 -2.2171 -2.1609 -2.1609 -2.0911 -2.0911 -2.0897 -2.0897 -2.0835 -2.0835 -2.0618 -2.0618 -1.9897 -1.9897 -1.9256 -1.9256 -1.8484 -1.8484 3.8952 3.8952 5.0293 5.0293 10.6808 10.6808 10.9014 10.9014 11.0202 11.0202 11.5713 11.5713 13.2950 13.2950 13.4079 13.4079 13.5664 13.5664 13.5890 13.5890 14.6426 14.6426 k = 0.0000 0.4722-0.0000 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6717 -16.6717 -16.1703 -16.1703 -16.1635 -16.1635 -3.0455 -3.0455 -2.9697 -2.9697 -2.9417 -2.9417 -2.9265 -2.9265 -2.9116 -2.9116 -2.9087 -2.9087 -2.2179 -2.2179 -2.1608 -2.1608 -2.0909 -2.0909 -2.0884 -2.0884 -2.0846 -2.0846 -2.0602 -2.0602 -1.9937 -1.9937 -1.9267 -1.9267 -1.8490 -1.8490 3.9478 3.9478 4.9621 4.9621 10.6864 10.6864 10.9072 10.9072 11.0999 11.0999 11.4777 11.4777 13.3061 13.3061 13.4420 13.4420 13.5745 13.5745 13.5891 13.5891 14.6121 14.6121 k = 0.0000 0.4861-0.0000 ( 3752 PWs) bands (ev): -37.6846 -37.6846 -16.6717 -16.6717 -16.1704 -16.1704 -16.1635 -16.1635 -3.0456 -3.0456 -2.9693 -2.9693 -2.9411 -2.9411 -2.9246 -2.9246 -2.9128 -2.9128 -2.9088 -2.9088 -2.2184 -2.2184 -2.1610 -2.1610 -2.0908 -2.0908 -2.0879 -2.0879 -2.0855 -2.0855 -2.0591 -2.0591 -1.9963 -1.9963 -1.9276 -1.9276 -1.8493 -1.8493 3.9830 3.9830 4.9180 4.9180 10.6896 10.6896 10.9106 10.9106 11.1777 11.1777 11.3917 11.3917 13.3116 13.3116 13.4653 13.4653 13.5796 13.5796 13.5891 13.5891 14.5920 14.5920 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1635 -16.1635 -3.0456 -3.0456 -2.9692 -2.9692 -2.9411 -2.9411 -2.9239 -2.9239 -2.9132 -2.9132 -2.9091 -2.9091 -2.2186 -2.2186 -2.1610 -2.1610 -2.0911 -2.0911 -2.0877 -2.0877 -2.0860 -2.0860 -2.0586 -2.0586 -1.9972 -1.9972 -1.9279 -1.9279 -1.8494 -1.8494 3.9955 3.9955 4.9025 4.9025 10.6907 10.6907 10.9118 10.9118 11.2253 11.2253 11.3414 11.3414 13.3134 13.3134 13.4734 13.4734 13.5813 13.5813 13.5891 13.5891 14.5849 14.5849 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1635 -16.1635 -3.0456 -3.0456 -2.9692 -2.9692 -2.9411 -2.9411 -2.9239 -2.9239 -2.9132 -2.9132 -2.9091 -2.9091 -2.2186 -2.2186 -2.1610 -2.1610 -2.0911 -2.0911 -2.0877 -2.0877 -2.0860 -2.0860 -2.0586 -2.0586 -1.9972 -1.9972 -1.9279 -1.9279 -1.8494 -1.8494 3.9955 3.9955 4.9025 4.9025 10.6907 10.6907 10.9118 10.9118 11.2253 11.2253 11.3414 11.3414 13.3134 13.3134 13.4734 13.4734 13.5813 13.5813 13.5891 13.5891 14.5849 14.5849 k = 0.0139 0.5000-0.0000 ( 3756 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1635 -16.1635 -3.0453 -3.0453 -2.9692 -2.9692 -2.9410 -2.9410 -2.9240 -2.9240 -2.9132 -2.9132 -2.9088 -2.9088 -2.2185 -2.2185 -2.1609 -2.1609 -2.0910 -2.0910 -2.0883 -2.0883 -2.0855 -2.0855 -2.0582 -2.0582 -1.9971 -1.9971 -1.9278 -1.9278 -1.8496 -1.8496 3.9969 3.9969 4.9042 4.9042 10.6693 10.6693 10.8838 10.8838 11.2705 11.2705 11.3408 11.3408 13.2933 13.2933 13.4645 13.4645 13.5405 13.5405 13.6533 13.6533 14.5742 14.5742 k = 0.0278 0.5000-0.0000 ( 3734 PWs) bands (ev): -37.6846 -37.6846 -16.6717 -16.6717 -16.1704 -16.1704 -16.1635 -16.1635 -3.0445 -3.0445 -2.9692 -2.9692 -2.9408 -2.9408 -2.9244 -2.9244 -2.9132 -2.9132 -2.9079 -2.9079 -2.2184 -2.2184 -2.1607 -2.1607 -2.0907 -2.0907 -2.0894 -2.0894 -2.0846 -2.0846 -2.0572 -2.0572 -1.9969 -1.9969 -1.9277 -1.9277 -1.8505 -1.8505 4.0011 4.0011 4.9092 4.9092 10.5981 10.5981 10.8474 10.8474 11.3127 11.3127 11.3918 11.3918 13.2452 13.2452 13.4172 13.4172 13.5440 13.5440 13.7294 13.7294 14.5446 14.5446 k = 0.0417 0.5000-0.0000 ( 3730 PWs) bands (ev): -37.6846 -37.6846 -16.6717 -16.6717 -16.1704 -16.1704 -16.1635 -16.1635 -3.0438 -3.0438 -2.9693 -2.9693 -2.9406 -2.9406 -2.9250 -2.9250 -2.9133 -2.9133 -2.9070 -2.9070 -2.2181 -2.2181 -2.1609 -2.1609 -2.0912 -2.0912 -2.0903 -2.0903 -2.0840 -2.0840 -2.0558 -2.0558 -1.9967 -1.9967 -1.9278 -1.9278 -1.8518 -1.8518 4.0082 4.0082 4.9175 4.9175 10.4850 10.4850 10.8331 10.8331 11.2958 11.2958 11.5115 11.5115 13.1845 13.1845 13.3529 13.3529 13.5637 13.5637 13.8110 13.8110 14.5021 14.5021 k = 0.0556 0.5000-0.0000 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1636 -16.1636 -3.0428 -3.0428 -2.9696 -2.9696 -2.9405 -2.9405 -2.9259 -2.9259 -2.9133 -2.9133 -2.9059 -2.9059 -2.2179 -2.2179 -2.1612 -2.1612 -2.0930 -2.0930 -2.0900 -2.0900 -2.0834 -2.0834 -2.0542 -2.0542 -1.9964 -1.9964 -1.9281 -1.9281 -1.8538 -1.8538 4.0180 4.0180 4.9291 4.9291 10.3509 10.3509 10.8328 10.8328 11.2662 11.2662 11.6403 11.6403 13.1191 13.1191 13.2853 13.2853 13.5832 13.5832 13.8968 13.8968 14.4524 14.4524 k = 0.0694 0.5000-0.0000 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1637 -16.1637 -3.0416 -3.0416 -2.9698 -2.9698 -2.9403 -2.9403 -2.9269 -2.9269 -2.9131 -2.9131 -2.9048 -2.9048 -2.2174 -2.2174 -2.1616 -2.1616 -2.0950 -2.0950 -2.0897 -2.0897 -2.0829 -2.0829 -2.0523 -2.0523 -1.9959 -1.9959 -1.9286 -1.9286 -1.8561 -1.8561 4.0307 4.0307 4.9440 4.9440 10.2073 10.2073 10.8396 10.8396 11.2266 11.2266 11.7706 11.7706 13.0526 13.0526 13.2179 13.2179 13.6002 13.6002 13.9858 13.9858 14.3997 14.3997 k = 0.0833 0.5000-0.0000 ( 3728 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1637 -16.1637 -3.0401 -3.0401 -2.9700 -2.9700 -2.9401 -2.9401 -2.9280 -2.9280 -2.9128 -2.9128 -2.9036 -2.9036 -2.2169 -2.2169 -2.1620 -2.1620 -2.0971 -2.0971 -2.0892 -2.0892 -2.0823 -2.0823 -2.0504 -2.0504 -1.9953 -1.9953 -1.9291 -1.9291 -1.8589 -1.8589 4.0462 4.0462 4.9622 4.9622 10.0589 10.0589 10.8503 10.8503 11.1774 11.1774 11.9000 11.9000 12.9868 12.9868 13.1533 13.1533 13.6148 13.6148 14.0766 14.0766 14.3475 14.3475 k = 0.0972 0.5000-0.0000 ( 3722 PWs) bands (ev): -37.6846 -37.6846 -16.6719 -16.6719 -16.1704 -16.1704 -16.1638 -16.1638 -3.0384 -3.0384 -2.9703 -2.9703 -2.9397 -2.9397 -2.9292 -2.9292 -2.9124 -2.9124 -2.9024 -2.9024 -2.2162 -2.2162 -2.1625 -2.1625 -2.0991 -2.0991 -2.0887 -2.0887 -2.0816 -2.0816 -2.0484 -2.0484 -1.9945 -1.9945 -1.9296 -1.9296 -1.8621 -1.8621 4.0645 4.0645 4.9836 4.9836 9.9078 9.9078 10.8627 10.8627 11.1196 11.1196 12.0273 12.0273 12.9226 12.9226 13.0938 13.0938 13.6276 13.6276 14.1652 14.1652 14.3009 14.3009 k = 0.1111 0.5000-0.0000 ( 3710 PWs) bands (ev): -37.6846 -37.6846 -16.6719 -16.6719 -16.1704 -16.1704 -16.1639 -16.1639 -3.0365 -3.0365 -2.9705 -2.9705 -2.9393 -2.9393 -2.9304 -2.9304 -2.9118 -2.9118 -2.9010 -2.9010 -2.2153 -2.2153 -2.1631 -2.1631 -2.1011 -2.1011 -2.0880 -2.0880 -2.0808 -2.0808 -2.0465 -2.0465 -1.9935 -1.9935 -1.9303 -1.9303 -1.8657 -1.8657 4.0856 4.0856 5.0083 5.0083 9.7552 9.7552 10.8730 10.8730 11.0565 11.0565 12.1518 12.1518 12.8597 12.8597 13.0417 13.0417 13.6391 13.6391 14.2120 14.2120 14.3002 14.3002 k = 0.1250 0.5000-0.0000 ( 3700 PWs) bands (ev): -37.6845 -37.6845 -16.6719 -16.6719 -16.1704 -16.1704 -16.1640 -16.1640 -3.0342 -3.0342 -2.9709 -2.9709 -2.9388 -2.9388 -2.9317 -2.9317 -2.9111 -2.9111 -2.8998 -2.8998 -2.2144 -2.2144 -2.1635 -2.1635 -2.1029 -2.1029 -2.0874 -2.0874 -2.0801 -2.0801 -2.0448 -2.0448 -1.9924 -1.9924 -1.9311 -1.9311 -1.8698 -1.8698 4.1095 4.1095 5.0361 5.0361 9.6019 9.6019 10.8677 10.8677 11.0016 11.0016 12.2729 12.2729 12.7981 12.7981 12.9988 12.9988 13.6496 13.6496 14.1796 14.1796 14.3832 14.3832 k = 0.1389 0.5000-0.0000 ( 3708 PWs) bands (ev): -37.6845 -37.6845 -16.6720 -16.6720 -16.1704 -16.1704 -16.1642 -16.1642 -3.0320 -3.0320 -2.9715 -2.9715 -2.9385 -2.9385 -2.9331 -2.9331 -2.9104 -2.9104 -2.8987 -2.8987 -2.2136 -2.2136 -2.1641 -2.1641 -2.1048 -2.1048 -2.0869 -2.0869 -2.0794 -2.0794 -2.0434 -2.0434 -1.9911 -1.9911 -1.9319 -1.9319 -1.8746 -1.8746 4.1362 4.1362 5.0671 5.0671 9.4484 9.4484 10.8188 10.8188 10.9834 10.9834 12.3901 12.3901 12.7376 12.7376 12.9661 12.9661 13.6596 13.6596 14.1371 14.1371 14.4812 14.4812 k = 0.1528 0.5000-0.0000 ( 3712 PWs) bands (ev): -37.6845 -37.6845 -16.6721 -16.6721 -16.1705 -16.1705 -16.1643 -16.1643 -3.0294 -3.0294 -2.9720 -2.9720 -2.9382 -2.9382 -2.9344 -2.9344 -2.9097 -2.9097 -2.8975 -2.8975 -2.2126 -2.2126 -2.1646 -2.1646 -2.1065 -2.1065 -2.0864 -2.0864 -2.0786 -2.0786 -2.0422 -2.0422 -1.9897 -1.9897 -1.9329 -1.9329 -1.8797 -1.8797 4.1657 4.1657 5.1011 5.1011 9.2952 9.2952 10.7326 10.7326 10.9962 10.9962 12.5022 12.5022 12.6790 12.6790 12.9441 12.9441 13.6693 13.6693 14.0959 14.0959 14.5830 14.5830 k = 0.1667 0.5000-0.0000 ( 3712 PWs) bands (ev): -37.6845 -37.6845 -16.6722 -16.6722 -16.1705 -16.1705 -16.1645 -16.1645 -3.0267 -3.0267 -2.9725 -2.9725 -2.9382 -2.9382 -2.9354 -2.9354 -2.9090 -2.9090 -2.8963 -2.8963 -2.2115 -2.2115 -2.1650 -2.1650 -2.1080 -2.1080 -2.0859 -2.0859 -2.0778 -2.0778 -2.0412 -2.0412 -1.9881 -1.9881 -1.9339 -1.9339 -1.8852 -1.8852 4.1979 4.1979 5.1382 5.1382 9.1424 9.1424 10.6295 10.6295 11.0209 11.0209 12.5917 12.5917 12.6394 12.6394 12.9327 12.9327 13.6787 13.6787 14.0579 14.0579 14.6870 14.6870 k = 0.1806 0.5000-0.0000 ( 3720 PWs) bands (ev): -37.6845 -37.6845 -16.6723 -16.6723 -16.1705 -16.1705 -16.1646 -16.1646 -3.0238 -3.0238 -2.9731 -2.9731 -2.9389 -2.9389 -2.9357 -2.9357 -2.9083 -2.9083 -2.8953 -2.8953 -2.2104 -2.2104 -2.1653 -2.1653 -2.1094 -2.1094 -2.0855 -2.0855 -2.0770 -2.0770 -2.0405 -2.0405 -1.9864 -1.9864 -1.9350 -1.9350 -1.8912 -1.8912 4.2330 4.2330 5.1783 5.1783 8.9905 8.9905 10.5169 10.5169 11.0510 11.0510 12.5552 12.5552 12.7215 12.7215 12.9317 12.9317 13.6880 13.6880 14.0237 14.0237 14.7929 14.7929 k = 0.1944 0.5000-0.0000 ( 3724 PWs) bands (ev): -37.6845 -37.6845 -16.6724 -16.6724 -16.1706 -16.1706 -16.1648 -16.1648 -3.0208 -3.0208 -2.9737 -2.9737 -2.9401 -2.9401 -2.9354 -2.9354 -2.9075 -2.9075 -2.8942 -2.8942 -2.2092 -2.2092 -2.1655 -2.1655 -2.1106 -2.1106 -2.0851 -2.0851 -2.0762 -2.0762 -2.0400 -2.0400 -1.9845 -1.9845 -1.9363 -1.9363 -1.8973 -1.8973 4.2707 4.2707 5.2213 5.2213 8.8396 8.8396 10.3976 10.3976 11.0846 11.0846 12.5007 12.5007 12.8150 12.8150 12.9427 12.9427 13.6973 13.6973 13.9942 13.9942 14.9003 14.9003 k = 0.2083 0.5000-0.0000 ( 3728 PWs) bands (ev): -37.6845 -37.6845 -16.6725 -16.6725 -16.1706 -16.1706 -16.1649 -16.1649 -3.0177 -3.0177 -2.9743 -2.9743 -2.9415 -2.9415 -2.9349 -2.9349 -2.9068 -2.9068 -2.8932 -2.8932 -2.2079 -2.2079 -2.1656 -2.1656 -2.1116 -2.1116 -2.0847 -2.0847 -2.0753 -2.0753 -2.0397 -2.0397 -1.9826 -1.9826 -1.9375 -1.9375 -1.9036 -1.9036 4.3112 4.3112 5.2671 5.2671 8.6900 8.6900 10.2736 10.2736 11.1209 11.1209 12.4470 12.4470 12.8918 12.8918 12.9734 12.9734 13.7066 13.7066 13.9701 13.9701 15.0083 15.0083 k = 0.2222 0.5000-0.0000 ( 3728 PWs) bands (ev): -37.6845 -37.6845 -16.6725 -16.6725 -16.1707 -16.1707 -16.1651 -16.1651 -3.0145 -3.0145 -2.9747 -2.9747 -2.9429 -2.9429 -2.9343 -2.9343 -2.9060 -2.9060 -2.8922 -2.8922 -2.2066 -2.2066 -2.1655 -2.1655 -2.1125 -2.1125 -2.0844 -2.0844 -2.0744 -2.0744 -2.0396 -2.0396 -1.9806 -1.9806 -1.9390 -1.9390 -1.9100 -1.9100 4.3545 4.3545 5.3156 5.3156 8.5418 8.5418 10.1461 10.1461 11.1595 11.1595 12.3950 12.3950 12.9389 12.9389 13.0348 13.0348 13.7160 13.7160 13.9522 13.9522 15.0073 15.0073 k = 0.2361 0.5000-0.0000 ( 3728 PWs) bands (ev): -37.6845 -37.6845 -16.6726 -16.6726 -16.1708 -16.1708 -16.1652 -16.1652 -3.0112 -3.0112 -2.9751 -2.9751 -2.9443 -2.9443 -2.9336 -2.9336 -2.9053 -2.9053 -2.8912 -2.8912 -2.2051 -2.2051 -2.1652 -2.1652 -2.1131 -2.1131 -2.0842 -2.0842 -2.0735 -2.0735 -2.0398 -2.0398 -1.9786 -1.9786 -1.9405 -1.9405 -1.9165 -1.9165 4.4004 4.4004 5.3667 5.3667 8.3953 8.3953 10.0163 10.0163 11.2000 11.2000 12.3450 12.3450 12.9726 12.9726 13.1082 13.1082 13.7255 13.7255 13.9419 13.9419 14.9691 14.9691 k = 0.2500 0.5000-0.0000 ( 3728 PWs) bands (ev): -37.6845 -37.6845 -16.6727 -16.6727 -16.1708 -16.1708 -16.1654 -16.1654 -3.0080 -3.0080 -2.9754 -2.9754 -2.9458 -2.9458 -2.9329 -2.9329 -2.9045 -2.9045 -2.8903 -2.8903 -2.2036 -2.2036 -2.1648 -2.1648 -2.1136 -2.1136 -2.0841 -2.0841 -2.0725 -2.0725 -2.0400 -2.0400 -1.9768 -1.9768 -1.9424 -1.9424 -1.9228 -1.9228 4.4490 4.4490 5.4204 5.4204 8.2506 8.2506 9.8851 9.8851 11.2423 11.2423 12.2973 12.2973 13.0066 13.0066 13.1779 13.1779 13.7354 13.7354 13.9407 13.9407 14.9285 14.9285 k = 0.2639 0.5000-0.0000 ( 3724 PWs) bands (ev): -37.6844 -37.6844 -16.6728 -16.6728 -16.1709 -16.1709 -16.1655 -16.1655 -3.0049 -3.0049 -2.9755 -2.9755 -2.9471 -2.9471 -2.9322 -2.9322 -2.9038 -2.9038 -2.8894 -2.8894 -2.2021 -2.2021 -2.1642 -2.1642 -2.1138 -2.1138 -2.0840 -2.0840 -2.0716 -2.0716 -2.0403 -2.0403 -1.9751 -1.9751 -1.9448 -1.9448 -1.9285 -1.9285 4.5002 4.5002 5.4764 5.4764 8.1079 8.1079 9.7534 9.7534 11.2859 11.2859 12.2519 12.2519 13.0437 13.0437 13.2386 13.2386 13.7455 13.7455 13.9502 13.9502 14.8857 14.8857 k = 0.2778 0.5000-0.0000 ( 3732 PWs) bands (ev): -37.6844 -37.6844 -16.6729 -16.6729 -16.1710 -16.1710 -16.1656 -16.1656 -3.0020 -3.0020 -2.9755 -2.9755 -2.9486 -2.9486 -2.9315 -2.9315 -2.9033 -2.9033 -2.8887 -2.8887 -2.2007 -2.2007 -2.1634 -2.1634 -2.1140 -2.1140 -2.0841 -2.0841 -2.0707 -2.0707 -2.0408 -2.0408 -1.9738 -1.9738 -1.9481 -1.9481 -1.9333 -1.9333 4.5539 4.5539 5.5345 5.5345 7.9673 7.9673 9.6218 9.6218 11.3307 11.3307 12.2088 12.2088 13.0844 13.0844 13.2882 13.2882 13.7558 13.7558 13.9720 13.9720 14.8410 14.8410 k = 0.2917 0.5000-0.0000 ( 3726 PWs) bands (ev): -37.6844 -37.6844 -16.6730 -16.6730 -16.1711 -16.1711 -16.1657 -16.1657 -2.9993 -2.9993 -2.9749 -2.9749 -2.9498 -2.9498 -2.9308 -2.9308 -2.9026 -2.9026 -2.8879 -2.8879 -2.1990 -2.1990 -2.1624 -2.1624 -2.1139 -2.1139 -2.0842 -2.0842 -2.0697 -2.0697 -2.0412 -2.0412 -1.9732 -1.9732 -1.9521 -1.9521 -1.9366 -1.9366 4.6101 4.6101 5.5946 5.5946 7.8290 7.8290 9.4911 9.4911 11.3764 11.3764 12.1681 12.1681 13.1284 13.1284 13.3259 13.3259 13.7659 13.7659 14.0069 14.0069 14.7949 14.7949 k = 0.3056 0.5000-0.0000 ( 3722 PWs) bands (ev): -37.6844 -37.6844 -16.6731 -16.6731 -16.1712 -16.1712 -16.1658 -16.1658 -2.9970 -2.9970 -2.9740 -2.9740 -2.9511 -2.9511 -2.9302 -2.9302 -2.9020 -2.9020 -2.8872 -2.8872 -2.1974 -2.1974 -2.1612 -2.1612 -2.1137 -2.1137 -2.0844 -2.0844 -2.0687 -2.0687 -2.0417 -2.0417 -1.9738 -1.9738 -1.9562 -1.9562 -1.9387 -1.9387 4.6688 4.6688 5.6565 5.6565 7.6933 7.6933 9.3619 9.3619 11.4226 11.4226 12.1299 12.1299 13.1755 13.1755 13.3524 13.3524 13.7757 13.7757 14.0544 14.0544 14.7477 14.7477 k = 0.3194 0.5000-0.0000 ( 3718 PWs) bands (ev): -37.6844 -37.6844 -16.6732 -16.6732 -16.1712 -16.1712 -16.1659 -16.1659 -2.9952 -2.9952 -2.9727 -2.9727 -2.9522 -2.9522 -2.9295 -2.9295 -2.9015 -2.9015 -2.8866 -2.8866 -2.1958 -2.1958 -2.1598 -2.1598 -2.1134 -2.1134 -2.0848 -2.0848 -2.0678 -2.0678 -2.0422 -2.0422 -1.9764 -1.9764 -1.9591 -1.9591 -1.9400 -1.9400 4.7298 4.7298 5.7198 5.7198 7.5602 7.5602 9.2348 9.2348 11.4691 11.4691 12.0943 12.0943 13.2249 13.2249 13.3695 13.3695 13.7849 13.7849 14.1124 14.1124 14.7000 14.7000 k = 0.3333 0.5000-0.0000 ( 3722 PWs) bands (ev): -37.6844 -37.6844 -16.6732 -16.6732 -16.1714 -16.1714 -16.1660 -16.1660 -2.9939 -2.9939 -2.9709 -2.9709 -2.9534 -2.9534 -2.9290 -2.9290 -2.9011 -2.9011 -2.8861 -2.8861 -2.1942 -2.1942 -2.1582 -2.1582 -2.1130 -2.1130 -2.0853 -2.0853 -2.0669 -2.0669 -2.0428 -2.0428 -1.9811 -1.9811 -1.9607 -1.9607 -1.9409 -1.9409 4.7929 4.7929 5.7842 5.7842 7.4300 7.4300 9.1105 9.1105 11.5153 11.5153 12.0611 12.0611 13.2758 13.2758 13.3801 13.3801 13.7936 13.7936 14.1786 14.1786 14.6528 14.6528 k = 0.3472 0.5000-0.0000 ( 3722 PWs) bands (ev): -37.6844 -37.6844 -16.6733 -16.6733 -16.1715 -16.1715 -16.1661 -16.1661 -2.9931 -2.9931 -2.9688 -2.9688 -2.9544 -2.9544 -2.9285 -2.9285 -2.9008 -2.9008 -2.8856 -2.8856 -2.1926 -2.1926 -2.1565 -2.1565 -2.1125 -2.1125 -2.0858 -2.0858 -2.0660 -2.0660 -2.0435 -2.0435 -1.9868 -1.9868 -1.9615 -1.9615 -1.9412 -1.9412 4.8580 4.8580 5.8493 5.8493 7.3029 7.3029 8.9897 8.9897 11.5609 11.5609 12.0306 12.0306 13.3257 13.3257 13.3882 13.3882 13.8017 13.8017 14.2498 14.2498 14.6076 14.6076 k = 0.3611 0.5000-0.0000 ( 3714 PWs) bands (ev): -37.6844 -37.6844 -16.6734 -16.6734 -16.1715 -16.1715 -16.1661 -16.1661 -2.9925 -2.9925 -2.9662 -2.9662 -2.9553 -2.9553 -2.9280 -2.9280 -2.9005 -2.9005 -2.8851 -2.8851 -2.1911 -2.1911 -2.1545 -2.1545 -2.1118 -2.1118 -2.0863 -2.0863 -2.0651 -2.0651 -2.0441 -2.0441 -1.9932 -1.9932 -1.9620 -1.9620 -1.9412 -1.9412 4.9249 4.9249 5.9145 5.9145 7.1793 7.1793 8.8730 8.8730 11.6055 11.6055 12.0026 12.0026 13.3619 13.3619 13.4076 13.4076 13.8092 13.8092 14.3211 14.3211 14.5681 14.5681 k = 0.3750 0.5000-0.0000 ( 3718 PWs) bands (ev): -37.6844 -37.6844 -16.6735 -16.6735 -16.1716 -16.1716 -16.1662 -16.1662 -2.9922 -2.9922 -2.9637 -2.9637 -2.9562 -2.9562 -2.9277 -2.9277 -2.9003 -2.9003 -2.8848 -2.8848 -2.1896 -2.1896 -2.1525 -2.1525 -2.1111 -2.1111 -2.0869 -2.0869 -2.0643 -2.0643 -2.0449 -2.0449 -1.9995 -1.9995 -1.9626 -1.9626 -1.9409 -1.9409 4.9932 4.9932 5.9792 5.9792 7.0595 7.0595 8.7612 8.7612 11.6484 11.6484 11.9772 11.9772 13.3707 13.3707 13.4528 13.4528 13.8162 13.8162 14.3800 14.3800 14.5461 14.5461 k = 0.3889 0.5000-0.0000 ( 3714 PWs) bands (ev): -37.6844 -37.6844 -16.6735 -16.6735 -16.1717 -16.1717 -16.1662 -16.1662 -2.9921 -2.9921 -2.9612 -2.9612 -2.9569 -2.9569 -2.9274 -2.9274 -2.9002 -2.9002 -2.8845 -2.8845 -2.1882 -2.1882 -2.1505 -2.1505 -2.1102 -2.1102 -2.0875 -2.0875 -2.0636 -2.0636 -2.0457 -2.0457 -2.0056 -2.0056 -1.9631 -1.9631 -1.9404 -1.9404 5.0625 5.0625 6.0428 6.0428 6.9441 6.9441 8.6553 8.6553 11.6892 11.6892 11.9545 11.9545 13.3701 13.3701 13.5058 13.5058 13.8227 13.8227 14.3979 14.3979 14.5699 14.5699 k = 0.4028 0.5000-0.0000 ( 3712 PWs) bands (ev): -37.6844 -37.6844 -16.6736 -16.6736 -16.1718 -16.1718 -16.1663 -16.1663 -2.9921 -2.9921 -2.9592 -2.9592 -2.9569 -2.9569 -2.9272 -2.9272 -2.9001 -2.9001 -2.8842 -2.8842 -2.1868 -2.1868 -2.1485 -2.1485 -2.1093 -2.1093 -2.0880 -2.0880 -2.0629 -2.0629 -2.0467 -2.0467 -2.0112 -2.0112 -1.9638 -1.9638 -1.9398 -1.9398 5.1321 5.1321 6.1041 6.1041 6.8337 6.8337 8.5564 8.5564 11.7273 11.7273 11.9344 11.9344 13.3673 13.3673 13.5594 13.5594 13.8286 13.8286 14.3775 14.3775 14.6367 14.6367 k = 0.4167 0.5000-0.0000 ( 3716 PWs) bands (ev): -37.6843 -37.6843 -16.6736 -16.6736 -16.1719 -16.1719 -16.1663 -16.1663 -2.9922 -2.9922 -2.9590 -2.9590 -2.9554 -2.9554 -2.9271 -2.9271 -2.9001 -2.9001 -2.8840 -2.8840 -2.1857 -2.1857 -2.1466 -2.1466 -2.1084 -2.1084 -2.0885 -2.0885 -2.0625 -2.0625 -2.0479 -2.0479 -2.0163 -2.0163 -1.9644 -1.9644 -1.9392 -1.9392 5.2011 5.2011 6.1620 6.1620 6.7293 6.7293 8.4656 8.4656 11.7621 11.7621 11.9169 11.9169 13.3638 13.3638 13.6113 13.6113 13.8339 13.8339 14.3464 14.3464 14.7187 14.7187 k = 0.4306 0.5000-0.0000 ( 3712 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1719 -16.1719 -16.1664 -16.1664 -2.9923 -2.9923 -2.9594 -2.9594 -2.9533 -2.9533 -2.9269 -2.9269 -2.9000 -2.9000 -2.8838 -2.8838 -2.1846 -2.1846 -2.1448 -2.1448 -2.1074 -2.1074 -2.0888 -2.0888 -2.0622 -2.0622 -2.0492 -2.0492 -2.0205 -2.0205 -1.9650 -1.9650 -1.9386 -1.9386 5.2682 5.2682 6.2152 6.2152 6.6322 6.6322 8.3843 8.3843 11.7929 11.7929 11.9022 11.9022 13.3603 13.3603 13.6597 13.6597 13.8387 13.8387 14.3149 14.3149 14.8051 14.8051 k = 0.4444 0.5000-0.0000 ( 3700 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1719 -16.1719 -16.1664 -16.1664 -2.9924 -2.9924 -2.9597 -2.9597 -2.9513 -2.9513 -2.9268 -2.9268 -2.9000 -2.9000 -2.8836 -2.8836 -2.1836 -2.1836 -2.1432 -2.1432 -2.1064 -2.1064 -2.0887 -2.0887 -2.0621 -2.0621 -2.0505 -2.0505 -2.0238 -2.0238 -1.9655 -1.9655 -1.9380 -1.9380 5.3315 5.3315 6.2621 6.2621 6.5446 6.5446 8.3143 8.3143 11.8191 11.8191 11.8902 11.8902 13.3570 13.3570 13.7031 13.7031 13.8430 13.8430 14.2865 14.2865 14.8916 14.8916 k = 0.4583 0.5000-0.0000 ( 3700 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9925 -2.9925 -2.9600 -2.9600 -2.9497 -2.9497 -2.9268 -2.9268 -2.9001 -2.9001 -2.8835 -2.8835 -2.1829 -2.1829 -2.1419 -2.1419 -2.1056 -2.1056 -2.0886 -2.0886 -2.0625 -2.0625 -2.0518 -2.0518 -2.0263 -2.0263 -1.9659 -1.9659 -1.9376 -1.9376 5.3880 5.3880 6.3007 6.3007 6.4695 6.4695 8.2573 8.2573 11.8401 11.8401 11.8809 11.8809 13.3543 13.3543 13.7394 13.7394 13.8468 13.8468 14.2628 14.2628 14.9731 14.9731 k = 0.4722 0.5000-0.0000 ( 3696 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9925 -2.9925 -2.9603 -2.9603 -2.9485 -2.9485 -2.9268 -2.9268 -2.9001 -2.9001 -2.8834 -2.8834 -2.1823 -2.1823 -2.1409 -2.1409 -2.1050 -2.1050 -2.0882 -2.0882 -2.0631 -2.0631 -2.0527 -2.0527 -2.0280 -2.0280 -1.9663 -1.9663 -1.9372 -1.9372 5.4339 5.4339 6.3285 6.3285 6.4116 6.4116 8.2149 8.2149 11.8553 11.8553 11.8745 11.8745 13.3523 13.3523 13.7666 13.7666 13.8503 13.8503 14.2450 14.2450 15.0401 15.0401 k = 0.4861 0.5000-0.0000 ( 3696 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9926 -2.9926 -2.9604 -2.9604 -2.9477 -2.9477 -2.9269 -2.9269 -2.9001 -2.9001 -2.8834 -2.8834 -2.1819 -2.1819 -2.1403 -2.1403 -2.1046 -2.1046 -2.0879 -2.0879 -2.0637 -2.0637 -2.0532 -2.0532 -2.0289 -2.0289 -1.9665 -1.9665 -1.9370 -1.9370 5.4645 5.4645 6.3411 6.3411 6.3787 6.3787 8.1888 8.1888 11.8635 11.8635 11.8716 11.8716 13.3511 13.3511 13.7833 13.7833 13.8529 13.8529 14.2340 14.2340 15.0774 15.0774 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9924 -2.9924 -2.9603 -2.9603 -2.9474 -2.9474 -2.9268 -2.9268 -2.9000 -2.9000 -2.8832 -2.8832 -2.1817 -2.1817 -2.1400 -2.1400 -2.1044 -2.1044 -2.0876 -2.0876 -2.0638 -2.0638 -2.0533 -2.0533 -2.0290 -2.0290 -1.9664 -1.9664 -1.9368 -1.9368 5.4753 5.4753 6.3401 6.3401 6.3725 6.3725 8.1800 8.1800 11.8652 11.8652 11.8719 11.8719 13.3507 13.3507 13.7888 13.7888 13.8540 13.8540 14.2302 14.2302 15.0863 15.0863 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9924 -2.9924 -2.9603 -2.9603 -2.9474 -2.9474 -2.9268 -2.9268 -2.9000 -2.9000 -2.8832 -2.8832 -2.1817 -2.1817 -2.1400 -2.1400 -2.1044 -2.1044 -2.0876 -2.0876 -2.0638 -2.0638 -2.0533 -2.0533 -2.0290 -2.0290 -1.9664 -1.9664 -1.9368 -1.9368 5.4753 5.4753 6.3401 6.3401 6.3725 6.3725 8.1800 8.1800 11.8652 11.8652 11.8719 11.8719 13.3507 13.3507 13.7888 13.7888 13.8540 13.8540 14.2302 14.2302 15.0863 15.0863 k = 0.4900 0.4900-0.0000 ( 3700 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9926 -2.9926 -2.9604 -2.9604 -2.9478 -2.9478 -2.9269 -2.9269 -2.9002 -2.9002 -2.8834 -2.8834 -2.1820 -2.1820 -2.1403 -2.1403 -2.1046 -2.1046 -2.0879 -2.0879 -2.0637 -2.0637 -2.0533 -2.0533 -2.0289 -2.0289 -1.9665 -1.9665 -1.9370 -1.9370 5.4640 5.4640 6.3439 6.3439 6.3763 6.3763 8.1891 8.1891 11.8635 11.8635 11.8715 11.8715 13.3511 13.3511 13.7831 13.7831 13.8528 13.8528 14.2341 14.2341 15.0780 15.0780 k = 0.4800 0.4800-0.0000 ( 3700 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9925 -2.9925 -2.9603 -2.9603 -2.9485 -2.9485 -2.9269 -2.9269 -2.9001 -2.9001 -2.8834 -2.8834 -2.1823 -2.1823 -2.1409 -2.1409 -2.1050 -2.1050 -2.0883 -2.0883 -2.0630 -2.0630 -2.0527 -2.0527 -2.0280 -2.0280 -1.9663 -1.9663 -1.9372 -1.9372 5.4314 5.4314 6.3529 6.3529 6.3890 6.3890 8.2164 8.2164 11.8553 11.8553 11.8741 11.8741 13.3520 13.3520 13.7665 13.7665 13.8494 13.8494 14.2457 14.2457 15.0503 15.0503 k = 0.4700 0.4700-0.0000 ( 3700 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9925 -2.9925 -2.9600 -2.9600 -2.9498 -2.9498 -2.9269 -2.9269 -2.9000 -2.9000 -2.8835 -2.8835 -2.1829 -2.1829 -2.1418 -2.1418 -2.1057 -2.1057 -2.0889 -2.0889 -2.0620 -2.0620 -2.0517 -2.0517 -2.0264 -2.0264 -1.9659 -1.9659 -1.9375 -1.9375 5.3804 5.3804 6.3635 6.3635 6.4121 6.4121 8.2612 8.2612 11.8402 11.8402 11.8801 11.8801 13.3524 13.3524 13.7405 13.7405 13.8438 13.8438 14.2643 14.2643 15.0046 15.0046 k = 0.4600 0.4600-0.0000 ( 3706 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9924 -2.9924 -2.9597 -2.9597 -2.9514 -2.9514 -2.9271 -2.9271 -2.9000 -2.9000 -2.8837 -2.8837 -2.1838 -2.1838 -2.1428 -2.1428 -2.1067 -2.1067 -2.0898 -2.0898 -2.0611 -2.0611 -2.0501 -2.0501 -2.0242 -2.0242 -1.9655 -1.9655 -1.9379 -1.9379 5.3146 5.3146 6.3751 6.3751 6.4436 6.4436 8.3224 8.3224 11.8193 11.8193 11.8887 11.8887 13.3502 13.3502 13.7082 13.7082 13.8360 13.8360 14.2895 14.2895 14.9519 14.9519 k = 0.4500 0.4500-0.0000 ( 3714 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1719 -16.1719 -16.1664 -16.1664 -2.9924 -2.9924 -2.9593 -2.9593 -2.9534 -2.9534 -2.9274 -2.9274 -2.9000 -2.9000 -2.8839 -2.8839 -2.1849 -2.1849 -2.1438 -2.1438 -2.1080 -2.1080 -2.0908 -2.0908 -2.0605 -2.0605 -2.0478 -2.0478 -2.0215 -2.0215 -1.9651 -1.9651 -1.9383 -1.9383 5.2374 5.2374 6.3885 6.3885 6.4804 6.4804 8.3987 8.3987 11.7930 11.7930 11.8999 11.8999 13.3417 13.3417 13.6744 13.6744 13.8264 13.8264 14.3203 14.3203 14.9002 14.9002 k = 0.4400 0.4400-0.0000 ( 3706 PWs) bands (ev): -37.6843 -37.6843 -16.6736 -16.6736 -16.1718 -16.1718 -16.1663 -16.1663 -2.9923 -2.9923 -2.9588 -2.9588 -2.9555 -2.9555 -2.9278 -2.9278 -2.8997 -2.8997 -2.8840 -2.8840 -2.1862 -2.1862 -2.1447 -2.1447 -2.1094 -2.1094 -2.0919 -2.0919 -2.0602 -2.0602 -2.0448 -2.0448 -2.0181 -2.0181 -1.9645 -1.9645 -1.9384 -1.9384 5.1517 5.1517 6.4041 6.4041 6.5207 6.5207 8.4886 8.4886 11.7621 11.7621 11.9136 11.9136 13.3213 13.3213 13.6460 13.6460 13.8150 13.8150 14.3557 14.3557 14.8531 14.8531 k = 0.4300 0.4300-0.0000 ( 3710 PWs) bands (ev): -37.6844 -37.6844 -16.6735 -16.6735 -16.1718 -16.1718 -16.1663 -16.1663 -2.9924 -2.9924 -2.9588 -2.9588 -2.9573 -2.9573 -2.9285 -2.9285 -2.8996 -2.8996 -2.8842 -2.8842 -2.1877 -2.1877 -2.1453 -2.1453 -2.1110 -2.1110 -2.0932 -2.0932 -2.0604 -2.0604 -2.0414 -2.0414 -2.0144 -2.0144 -1.9640 -1.9640 -1.9385 -1.9385 5.0597 5.0597 6.4222 6.4222 6.5632 6.5632 8.5908 8.5908 11.7270 11.7270 11.9297 11.9297 13.2838 13.2838 13.6298 13.6298 13.8020 13.8020 14.3947 14.3947 14.8117 14.8117 k = 0.4200 0.4200-0.0000 ( 3702 PWs) bands (ev): -37.6844 -37.6844 -16.6735 -16.6735 -16.1716 -16.1716 -16.1662 -16.1662 -2.9924 -2.9924 -2.9609 -2.9609 -2.9570 -2.9570 -2.9294 -2.9294 -2.8994 -2.8994 -2.8844 -2.8844 -2.1893 -2.1893 -2.1457 -2.1457 -2.1126 -2.1126 -2.0945 -2.0945 -2.0609 -2.0609 -2.0375 -2.0375 -2.0103 -2.0103 -1.9633 -1.9633 -1.9381 -1.9381 4.9633 4.9633 6.4430 6.4430 6.6076 6.6076 8.7036 8.7036 11.6883 11.6883 11.9483 11.9483 13.2282 13.2282 13.6284 13.6284 13.7878 13.7878 14.4360 14.4360 14.7759 14.7759 k = 0.4100 0.4100-0.0000 ( 3702 PWs) bands (ev): -37.6844 -37.6844 -16.6734 -16.6734 -16.1715 -16.1715 -16.1662 -16.1662 -2.9926 -2.9926 -2.9636 -2.9636 -2.9563 -2.9563 -2.9305 -2.9305 -2.8993 -2.8993 -2.8847 -2.8847 -2.1910 -2.1910 -2.1460 -2.1460 -2.1144 -2.1144 -2.0959 -2.0959 -2.0617 -2.0617 -2.0335 -2.0335 -2.0061 -2.0061 -1.9628 -1.9628 -1.9373 -1.9373 4.8639 4.8639 6.4664 6.4664 6.6536 6.6536 8.8257 8.8257 11.6466 11.6466 11.9692 11.9692 13.1575 13.1575 13.6400 13.6400 13.7728 13.7728 14.4782 14.4782 14.7456 14.7456 k = 0.4000 0.4000-0.0000 ( 3696 PWs) bands (ev): -37.6844 -37.6844 -16.6733 -16.6733 -16.1714 -16.1714 -16.1661 -16.1661 -2.9929 -2.9929 -2.9665 -2.9665 -2.9554 -2.9554 -2.9319 -2.9319 -2.8991 -2.8991 -2.8850 -2.8850 -2.1926 -2.1926 -2.1460 -2.1460 -2.1161 -2.1161 -2.0973 -2.0973 -2.0626 -2.0626 -2.0293 -2.0293 -2.0018 -2.0018 -1.9622 -1.9622 -1.9359 -1.9359 4.7625 4.7625 6.4926 6.4926 6.7011 6.7011 8.9558 8.9558 11.6024 11.6024 11.9924 11.9924 13.0762 13.0762 13.6606 13.6606 13.7577 13.7577 14.5196 14.5196 14.7203 14.7203 k = 0.3900 0.3900-0.0000 ( 3708 PWs) bands (ev): -37.6844 -37.6844 -16.6732 -16.6732 -16.1713 -16.1713 -16.1661 -16.1661 -2.9935 -2.9935 -2.9696 -2.9696 -2.9548 -2.9548 -2.9335 -2.9335 -2.8993 -2.8993 -2.8855 -2.8855 -2.1943 -2.1943 -2.1459 -2.1459 -2.1180 -2.1180 -2.0989 -2.0989 -2.0640 -2.0640 -2.0254 -2.0254 -1.9979 -1.9979 -1.9613 -1.9613 -1.9342 -1.9342 4.6600 4.6600 6.5215 6.5215 6.7505 6.7505 9.0928 9.0928 11.5561 11.5561 12.0178 12.0178 12.9879 12.9879 13.6843 13.6843 13.7463 13.7463 14.5579 14.5579 14.7001 14.7001 k = 0.3800 0.3800-0.0000 ( 3720 PWs) bands (ev): -37.6844 -37.6844 -16.6732 -16.6732 -16.1711 -16.1711 -16.1661 -16.1661 -2.9942 -2.9942 -2.9728 -2.9728 -2.9542 -2.9542 -2.9353 -2.9353 -2.8995 -2.8995 -2.8861 -2.8861 -2.1959 -2.1959 -2.1458 -2.1458 -2.1199 -2.1199 -2.1004 -2.1004 -2.0653 -2.0653 -2.0218 -2.0218 -1.9944 -1.9944 -1.9598 -1.9598 -1.9320 -1.9320 4.5571 4.5571 6.5532 6.5532 6.8017 6.8017 9.2356 9.2356 11.5082 11.5082 12.0455 12.0455 12.8954 12.8954 13.6944 13.6944 13.7534 13.7534 14.5903 14.5903 14.6857 14.6857 k = 0.3700 0.3700-0.0000 ( 3720 PWs) bands (ev): -37.6844 -37.6844 -16.6731 -16.6731 -16.1710 -16.1710 -16.1660 -16.1660 -2.9950 -2.9950 -2.9760 -2.9760 -2.9538 -2.9538 -2.9370 -2.9370 -2.8998 -2.8998 -2.8866 -2.8866 -2.1971 -2.1971 -2.1456 -2.1456 -2.1216 -2.1216 -2.1019 -2.1019 -2.0667 -2.0667 -2.0187 -2.0187 -1.9912 -1.9912 -1.9572 -1.9572 -1.9294 -1.9294 4.4544 4.4544 6.5877 6.5877 6.8549 6.8549 9.3833 9.3833 11.4592 11.4592 12.0754 12.0754 12.8004 12.8004 13.6827 13.6827 13.7860 13.7860 14.6120 14.6120 14.6796 14.6796 k = 0.3600 0.3600-0.0000 ( 3724 PWs) bands (ev): -37.6844 -37.6844 -16.6730 -16.6730 -16.1708 -16.1708 -16.1659 -16.1659 -2.9958 -2.9958 -2.9793 -2.9793 -2.9538 -2.9538 -2.9389 -2.9389 -2.9001 -2.9001 -2.8872 -2.8872 -2.1982 -2.1982 -2.1453 -2.1453 -2.1233 -2.1233 -2.1033 -2.1033 -2.0682 -2.0682 -2.0162 -2.0162 -1.9882 -1.9882 -1.9534 -1.9534 -1.9266 -1.9266 4.3523 4.3523 6.6250 6.6250 6.9103 6.9103 9.5349 9.5349 11.4093 11.4093 12.1073 12.1073 12.7044 12.7044 13.6634 13.6634 13.8292 13.8292 14.6200 14.6200 14.6830 14.6830 k = 0.3500 0.3500-0.0000 ( 3724 PWs) bands (ev): -37.6844 -37.6844 -16.6728 -16.6728 -16.1706 -16.1706 -16.1659 -16.1659 -2.9969 -2.9969 -2.9826 -2.9826 -2.9541 -2.9541 -2.9405 -2.9405 -2.9006 -2.9006 -2.8879 -2.8879 -2.1989 -2.1989 -2.1452 -2.1452 -2.1249 -2.1249 -2.1046 -2.1046 -2.0696 -2.0696 -2.0147 -2.0147 -1.9851 -1.9851 -1.9489 -1.9489 -1.9233 -1.9233 4.2512 4.2512 6.6652 6.6652 6.9679 6.9679 9.6898 9.6898 11.3590 11.3590 12.1410 12.1410 12.6085 12.6085 13.6411 13.6411 13.8774 13.8774 14.6198 14.6198 14.6890 14.6890 k = 0.3400 0.3400-0.0000 ( 3726 PWs) bands (ev): -37.6845 -37.6845 -16.6727 -16.6727 -16.1704 -16.1704 -16.1658 -16.1658 -2.9982 -2.9982 -2.9859 -2.9859 -2.9550 -2.9550 -2.9419 -2.9419 -2.9012 -2.9012 -2.8886 -2.8886 -2.1993 -2.1993 -2.1453 -2.1453 -2.1264 -2.1264 -2.1057 -2.1057 -2.0709 -2.0709 -2.0145 -2.0145 -1.9816 -1.9816 -1.9437 -1.9437 -1.9198 -1.9198 4.1514 4.1514 6.7082 6.7082 7.0279 7.0279 9.8469 9.8469 11.3086 11.3086 12.1764 12.1764 12.5137 12.5137 13.6166 13.6166 13.9285 13.9285 14.6186 14.6186 14.6896 14.6896 k = 0.3300 0.3300-0.0000 ( 3716 PWs) bands (ev): -37.6845 -37.6845 -16.6726 -16.6726 -16.1702 -16.1702 -16.1657 -16.1657 -2.9996 -2.9996 -2.9891 -2.9891 -2.9565 -2.9565 -2.9429 -2.9429 -2.9019 -2.9019 -2.8894 -2.8894 -2.1993 -2.1993 -2.1456 -2.1456 -2.1278 -2.1278 -2.1063 -2.1063 -2.0720 -2.0720 -2.0152 -2.0152 -1.9774 -1.9774 -1.9379 -1.9379 -1.9160 -1.9160 4.0532 4.0532 6.7541 6.7541 7.0904 7.0904 10.0057 10.0057 11.2584 11.2584 12.2125 12.2125 12.4216 12.4216 13.5900 13.5900 13.9813 13.9813 14.6198 14.6198 14.6818 14.6818 k = 0.3200 0.3200-0.0000 ( 3730 PWs) bands (ev): -37.6845 -37.6845 -16.6725 -16.6725 -16.1700 -16.1700 -16.1656 -16.1656 -3.0013 -3.0013 -2.9924 -2.9924 -2.9587 -2.9587 -2.9441 -2.9441 -2.9028 -2.9028 -2.8903 -2.8903 -2.1992 -2.1992 -2.1462 -2.1462 -2.1293 -2.1293 -2.1069 -2.1069 -2.0732 -2.0732 -2.0167 -2.0167 -1.9730 -1.9730 -1.9319 -1.9319 -1.9122 -1.9122 3.9568 3.9568 6.8029 6.8029 7.1553 7.1553 10.1651 10.1651 11.2087 11.2087 12.2441 12.2441 12.3379 12.3379 13.5611 13.5611 14.0342 14.0342 14.6246 14.6246 14.6659 14.6659 k = 0.3100 0.3100-0.0000 ( 3736 PWs) bands (ev): -37.6845 -37.6845 -16.6723 -16.6723 -16.1698 -16.1698 -16.1656 -16.1656 -3.0033 -3.0033 -2.9956 -2.9956 -2.9613 -2.9613 -2.9452 -2.9452 -2.9037 -2.9037 -2.8914 -2.8914 -2.1987 -2.1987 -2.1472 -2.1472 -2.1308 -2.1308 -2.1071 -2.1071 -2.0741 -2.0741 -2.0188 -2.0188 -1.9682 -1.9682 -1.9256 -1.9256 -1.9080 -1.9080 3.8625 3.8625 6.8546 6.8546 7.2226 7.2226 10.3241 10.3241 11.1601 11.1601 12.2204 12.2204 12.3140 12.3140 13.5295 13.5295 14.0853 14.0853 14.6243 14.6243 14.6533 14.6533 k = 0.3000 0.3000-0.0000 ( 3736 PWs) bands (ev): -37.6845 -37.6845 -16.6722 -16.6722 -16.1695 -16.1695 -16.1655 -16.1655 -3.0054 -3.0054 -2.9986 -2.9986 -2.9641 -2.9641 -2.9464 -2.9464 -2.9047 -2.9047 -2.8924 -2.8924 -2.1980 -2.1980 -2.1484 -2.1484 -2.1324 -2.1324 -2.1068 -2.1068 -2.0747 -2.0747 -2.0213 -2.0213 -1.9629 -1.9629 -1.9192 -1.9192 -1.9036 -1.9036 3.7703 3.7703 6.9092 6.9092 7.2924 7.2924 10.4809 10.4809 11.1132 11.1132 12.1429 12.1429 12.3490 12.3490 13.4949 13.4949 14.1324 14.1324 14.5966 14.5966 14.6697 14.6697 k = 0.2900 0.2900-0.0000 ( 3736 PWs) bands (ev): -37.6845 -37.6845 -16.6720 -16.6720 -16.1693 -16.1693 -16.1654 -16.1654 -3.0078 -3.0078 -3.0015 -3.0015 -2.9672 -2.9672 -2.9479 -2.9479 -2.9057 -2.9057 -2.8935 -2.8935 -2.1970 -2.1970 -2.1498 -2.1498 -2.1341 -2.1341 -2.1061 -2.1061 -2.0751 -2.0751 -2.0240 -2.0240 -1.9575 -1.9575 -1.9127 -1.9127 -1.8991 -1.8991 3.6804 3.6804 6.9668 6.9668 7.3647 7.3647 10.6326 10.6326 11.0699 11.0699 12.0639 12.0639 12.3920 12.3920 13.4566 13.4566 14.1734 14.1734 14.5570 14.5570 14.7032 14.7032 k = 0.2800 0.2800-0.0000 ( 3742 PWs) bands (ev): -37.6845 -37.6845 -16.6719 -16.6719 -16.1690 -16.1690 -16.1653 -16.1653 -3.0105 -3.0105 -3.0043 -3.0043 -2.9705 -2.9705 -2.9499 -2.9499 -2.9068 -2.9068 -2.8947 -2.8947 -2.1959 -2.1959 -2.1515 -2.1515 -2.1359 -2.1359 -2.1051 -2.1051 -2.0752 -2.0752 -2.0268 -2.0268 -1.9519 -1.9519 -1.9062 -1.9062 -1.8944 -1.8944 3.5930 3.5930 7.0273 7.0273 7.4394 7.4394 10.7710 10.7710 11.0364 11.0364 11.9901 11.9901 12.4376 12.4376 13.4141 13.4141 14.2070 14.2070 14.5118 14.5118 14.7504 14.7504 k = 0.2700 0.2700-0.0000 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6717 -16.6717 -16.1687 -16.1687 -16.1652 -16.1652 -3.0133 -3.0133 -3.0068 -3.0068 -2.9738 -2.9738 -2.9520 -2.9520 -2.9078 -2.9078 -2.8959 -2.8959 -2.1946 -2.1946 -2.1532 -2.1532 -2.1378 -2.1378 -2.1035 -2.1035 -2.0749 -2.0749 -2.0294 -2.0294 -1.9463 -1.9463 -1.8998 -1.8998 -1.8894 -1.8894 3.5081 3.5081 7.0908 7.0908 7.5164 7.5164 10.8648 10.8648 11.0408 11.0408 11.9253 11.9253 12.4850 12.4850 13.3666 13.3666 14.2328 14.2328 14.4630 14.4630 14.8109 14.8109 k = 0.2600 0.2600-0.0000 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6715 -16.6715 -16.1684 -16.1684 -16.1651 -16.1651 -3.0163 -3.0163 -3.0095 -3.0095 -2.9773 -2.9773 -2.9546 -2.9546 -2.9088 -2.9088 -2.8973 -2.8973 -2.1932 -2.1932 -2.1551 -2.1551 -2.1398 -2.1398 -2.1019 -2.1019 -2.0743 -2.0743 -2.0322 -2.0322 -1.9405 -1.9405 -1.8936 -1.8936 -1.8843 -1.8843 3.4259 3.4259 7.1572 7.1572 7.5957 7.5957 10.8725 10.8725 11.1186 11.1186 11.8754 11.8754 12.5337 12.5337 13.3134 13.3134 14.2517 14.2517 14.4118 14.4118 14.8836 14.8836 k = 0.2500 0.2500-0.0000 ( 3724 PWs) bands (ev): -37.6846 -37.6846 -16.6713 -16.6713 -16.1681 -16.1681 -16.1650 -16.1650 -3.0193 -3.0193 -3.0121 -3.0121 -2.9807 -2.9807 -2.9574 -2.9574 -2.9098 -2.9098 -2.8987 -2.8987 -2.1918 -2.1918 -2.1570 -2.1570 -2.1419 -2.1419 -2.1000 -2.1000 -2.0733 -2.0733 -2.0349 -2.0349 -1.9347 -1.9347 -1.8875 -1.8875 -1.8788 -1.8788 3.3463 3.3463 7.2267 7.2267 7.6771 7.6771 10.8424 10.8424 11.2111 11.2111 11.8508 11.8508 12.5836 12.5836 13.2538 13.2538 14.2649 14.2649 14.3593 14.3593 14.9668 14.9668 k = 0.2400 0.2400-0.0000 ( 3728 PWs) bands (ev): -37.6846 -37.6846 -16.6712 -16.6712 -16.1679 -16.1679 -16.1649 -16.1649 -3.0225 -3.0225 -3.0147 -3.0147 -2.9843 -2.9843 -2.9608 -2.9608 -2.9108 -2.9108 -2.9002 -2.9002 -2.1905 -2.1905 -2.1589 -2.1589 -2.1441 -2.1441 -2.0980 -2.0980 -2.0721 -2.0721 -2.0376 -2.0376 -1.9290 -1.9290 -1.8817 -1.8817 -1.8732 -1.8732 3.2696 3.2696 7.2992 7.2992 7.7607 7.7607 10.8043 10.8043 11.2736 11.2736 11.8658 11.8658 12.6342 12.6342 13.1872 13.1872 14.2740 14.2740 14.3066 14.3066 15.0585 15.0585 k = 0.2300 0.2300-0.0000 ( 3734 PWs) bands (ev): -37.6846 -37.6846 -16.6710 -16.6710 -16.1676 -16.1676 -16.1648 -16.1648 -3.0256 -3.0256 -3.0175 -3.0175 -2.9879 -2.9879 -2.9645 -2.9645 -2.9119 -2.9119 -2.9018 -2.9018 -2.1893 -2.1893 -2.1609 -2.1609 -2.1464 -2.1464 -2.0959 -2.0959 -2.0706 -2.0706 -2.0400 -2.0400 -1.9234 -1.9234 -1.8760 -1.8760 -1.8674 -1.8674 3.1958 3.1958 7.3746 7.3746 7.8462 7.8462 10.7646 10.7646 11.2925 11.2925 11.9275 11.9275 12.6854 12.6854 13.1133 13.1133 14.2524 14.2524 14.2821 14.2821 15.1564 15.1564 k = 0.2200 0.2200-0.0000 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6708 -16.6708 -16.1673 -16.1673 -16.1647 -16.1647 -3.0286 -3.0286 -3.0202 -3.0202 -2.9914 -2.9914 -2.9684 -2.9684 -2.9129 -2.9129 -2.9034 -2.9034 -2.1881 -2.1881 -2.1627 -2.1627 -2.1487 -2.1487 -2.0937 -2.0937 -2.0687 -2.0687 -2.0423 -2.0423 -1.9179 -1.9179 -1.8705 -1.8705 -1.8616 -1.8616 3.1248 3.1248 7.4531 7.4531 7.9335 7.9335 10.7251 10.7251 11.2755 11.2755 12.0258 12.0258 12.7362 12.7362 13.0324 13.0324 14.2004 14.2004 14.2874 14.2874 15.1910 15.1910 k = 0.2100 0.2100-0.0000 ( 3732 PWs) bands (ev): -37.6847 -37.6847 -16.6706 -16.6706 -16.1670 -16.1670 -16.1646 -16.1646 -3.0317 -3.0317 -3.0231 -3.0231 -2.9949 -2.9949 -2.9724 -2.9724 -2.9139 -2.9139 -2.9051 -2.9051 -2.1870 -2.1870 -2.1645 -2.1645 -2.1510 -2.1510 -2.0915 -2.0915 -2.0665 -2.0665 -2.0445 -2.0445 -1.9124 -1.9124 -1.8649 -1.8649 -1.8557 -1.8557 3.0568 3.0568 7.5346 7.5346 8.0225 8.0225 10.6863 10.6863 11.2375 11.2375 12.1444 12.1444 12.7838 12.7838 12.9470 12.9470 14.1490 14.1490 14.2926 14.2926 15.1472 15.1472 k = 0.2000 0.2000-0.0000 ( 3727 PWs) bands (ev): -37.6847 -37.6847 -16.6704 -16.6704 -16.1667 -16.1667 -16.1644 -16.1644 -3.0347 -3.0347 -3.0259 -3.0259 -2.9983 -2.9983 -2.9767 -2.9767 -2.9149 -2.9149 -2.9068 -2.9068 -2.1861 -2.1861 -2.1662 -2.1662 -2.1532 -2.1532 -2.0893 -2.0893 -2.0642 -2.0642 -2.0462 -2.0462 -1.9071 -1.9071 -1.8594 -1.8594 -1.8498 -1.8498 2.9918 2.9918 7.6192 7.6192 8.1131 8.1131 10.6486 10.6486 11.1889 11.1889 12.2718 12.2718 12.8001 12.8001 12.8856 12.8856 14.0990 14.0990 14.2984 14.2984 15.1064 15.1064 k = 0.1900 0.1900-0.0000 ( 3731 PWs) bands (ev): -37.6847 -37.6847 -16.6703 -16.6703 -16.1664 -16.1664 -16.1643 -16.1643 -3.0376 -3.0376 -3.0289 -3.0289 -3.0017 -3.0017 -2.9811 -2.9811 -2.9159 -2.9159 -2.9085 -2.9085 -2.1854 -2.1854 -2.1679 -2.1679 -2.1554 -2.1554 -2.0872 -2.0872 -2.0620 -2.0620 -2.0476 -2.0476 -1.9021 -1.9021 -1.8539 -1.8539 -1.8441 -1.8441 2.9298 2.9298 7.7067 7.7067 8.2049 8.2049 10.6122 10.6122 11.1353 11.1353 12.3998 12.3998 12.7221 12.7221 12.9129 12.9129 14.0506 14.0506 14.3055 14.3055 15.0701 15.0701 k = 0.1800 0.1800-0.0000 ( 3737 PWs) bands (ev): -37.6847 -37.6847 -16.6701 -16.6701 -16.1662 -16.1662 -16.1643 -16.1643 -3.0405 -3.0405 -3.0319 -3.0319 -3.0050 -3.0050 -2.9857 -2.9857 -2.9170 -2.9170 -2.9103 -2.9103 -2.1849 -2.1849 -2.1694 -2.1694 -2.1576 -2.1576 -2.0851 -2.0851 -2.0601 -2.0601 -2.0484 -2.0484 -1.8973 -1.8973 -1.8485 -1.8485 -1.8385 -1.8385 2.8709 2.8709 7.7972 7.7972 8.2979 8.2979 10.5772 10.5772 11.0796 11.0796 12.5091 12.5091 12.6325 12.6325 12.9619 12.9619 14.0039 14.0039 14.3146 14.3146 15.0389 15.0389 k = 0.1700 0.1700-0.0000 ( 3743 PWs) bands (ev): -37.6847 -37.6847 -16.6700 -16.6700 -16.1659 -16.1659 -16.1642 -16.1642 -3.0433 -3.0433 -3.0349 -3.0349 -3.0082 -3.0082 -2.9903 -2.9903 -2.9180 -2.9180 -2.9120 -2.9120 -2.1846 -2.1846 -2.1710 -2.1710 -2.1596 -2.1596 -2.0833 -2.0833 -2.0589 -2.0589 -2.0481 -2.0481 -1.8927 -1.8927 -1.8430 -1.8430 -1.8331 -1.8331 2.8151 2.8151 7.8907 7.8907 8.3918 8.3918 10.5437 10.5437 11.0233 11.0233 12.4662 12.4662 12.6823 12.6823 13.0135 13.0135 13.9592 13.9592 14.3265 14.3265 15.0133 15.0133 k = 0.1600 0.1600-0.0000 ( 3743 PWs) bands (ev): -37.6847 -37.6847 -16.6698 -16.6698 -16.1656 -16.1656 -16.1641 -16.1641 -3.0460 -3.0460 -3.0379 -3.0379 -3.0113 -3.0113 -2.9949 -2.9949 -2.9190 -2.9190 -2.9137 -2.9137 -2.1845 -2.1845 -2.1724 -2.1724 -2.1615 -2.1615 -2.0813 -2.0813 -2.0586 -2.0586 -2.0465 -2.0465 -1.8883 -1.8883 -1.8376 -1.8376 -1.8278 -1.8278 2.7623 2.7623 7.9872 7.9872 8.4863 8.4863 10.5118 10.5118 10.9672 10.9672 12.3459 12.3459 12.7975 12.7975 13.0654 13.0654 13.9167 13.9167 14.3420 14.3420 14.9931 14.9931 k = 0.1500 0.1500-0.0000 ( 3747 PWs) bands (ev): -37.6848 -37.6848 -16.6696 -16.6696 -16.1654 -16.1654 -16.1640 -16.1640 -3.0486 -3.0486 -3.0409 -3.0409 -3.0143 -3.0143 -2.9995 -2.9995 -2.9200 -2.9200 -2.9154 -2.9154 -2.1846 -2.1846 -2.1738 -2.1738 -2.1632 -2.1632 -2.0795 -2.0795 -2.0590 -2.0590 -2.0441 -2.0441 -1.8842 -1.8842 -1.8322 -1.8322 -1.8227 -1.8227 2.7128 2.7128 8.0866 8.0866 8.5812 8.5812 10.4816 10.4816 10.9118 10.9118 12.2144 12.2144 12.9115 12.9115 13.1169 13.1169 13.8764 13.8764 14.3619 14.3619 14.9782 14.9782 k = 0.1400 0.1400-0.0000 ( 3747 PWs) bands (ev): -37.6848 -37.6848 -16.6695 -16.6695 -16.1651 -16.1651 -16.1639 -16.1639 -3.0509 -3.0509 -3.0438 -3.0438 -3.0171 -3.0171 -3.0040 -3.0040 -2.9210 -2.9210 -2.9169 -2.9169 -2.1849 -2.1849 -2.1752 -2.1752 -2.1646 -2.1646 -2.0777 -2.0777 -2.0596 -2.0596 -2.0412 -2.0412 -1.8804 -1.8804 -1.8268 -1.8268 -1.8179 -1.8179 2.6663 2.6663 8.1888 8.1888 8.6761 8.6761 10.4530 10.4530 10.8573 10.8573 12.0772 12.0772 13.0186 13.0186 13.1676 13.1676 13.8384 13.8384 14.3871 14.3871 14.9682 14.9682 k = 0.1300 0.1300-0.0000 ( 3761 PWs) bands (ev): -37.6848 -37.6848 -16.6694 -16.6694 -16.1649 -16.1649 -16.1638 -16.1638 -3.0534 -3.0534 -3.0467 -3.0467 -3.0199 -3.0199 -3.0085 -3.0085 -2.9221 -2.9221 -2.9185 -2.9185 -2.1852 -2.1852 -2.1768 -2.1768 -2.1658 -2.1658 -2.0761 -2.0761 -2.0605 -2.0605 -2.0384 -2.0384 -1.8769 -1.8769 -1.8218 -1.8218 -1.8134 -1.8134 2.6230 2.6230 8.2939 8.2939 8.7708 8.7708 10.4261 10.4261 10.8037 10.8037 11.9359 11.9359 13.1166 13.1166 13.2174 13.2174 13.8028 13.8028 14.4182 14.4182 14.9627 14.9627 k = 0.1200 0.1200-0.0000 ( 3761 PWs) bands (ev): -37.6848 -37.6848 -16.6692 -16.6692 -16.1647 -16.1647 -16.1637 -16.1637 -3.0556 -3.0556 -3.0495 -3.0495 -3.0224 -3.0224 -3.0125 -3.0125 -2.9230 -2.9230 -2.9200 -2.9200 -2.1856 -2.1856 -2.1782 -2.1782 -2.1668 -2.1668 -2.0746 -2.0746 -2.0612 -2.0612 -2.0353 -2.0353 -1.8736 -1.8736 -1.8167 -1.8167 -1.8090 -1.8090 2.5829 2.5829 8.4018 8.4018 8.8648 8.8648 10.4010 10.4010 10.7512 10.7512 11.7917 11.7917 13.2038 13.2038 13.2663 13.2663 13.7697 13.7697 14.4560 14.4560 14.9611 14.9611 k = 0.1100 0.1100-0.0000 ( 3765 PWs) bands (ev): -37.6848 -37.6848 -16.6691 -16.6691 -16.1644 -16.1644 -16.1636 -16.1636 -3.0577 -3.0577 -3.0523 -3.0523 -3.0248 -3.0248 -3.0164 -3.0164 -2.9239 -2.9239 -2.9213 -2.9213 -2.1860 -2.1860 -2.1796 -2.1796 -2.1676 -2.1676 -2.0733 -2.0733 -2.0620 -2.0620 -2.0323 -2.0323 -1.8706 -1.8706 -1.8119 -1.8119 -1.8050 -1.8050 2.5460 2.5460 8.5123 8.5123 8.9577 8.9577 10.3776 10.3776 10.6997 10.6997 11.6454 11.6454 13.2780 13.2780 13.3153 13.3153 13.7391 13.7391 14.5006 14.5006 14.9629 14.9629 k = 0.1000 0.1000-0.0000 ( 3771 PWs) bands (ev): -37.6848 -37.6848 -16.6690 -16.6690 -16.1643 -16.1643 -16.1636 -16.1636 -3.0596 -3.0596 -3.0550 -3.0550 -3.0271 -3.0271 -3.0201 -3.0201 -2.9248 -2.9248 -2.9226 -2.9226 -2.1865 -2.1865 -2.1810 -2.1810 -2.1683 -2.1683 -2.0720 -2.0720 -2.0627 -2.0627 -2.0295 -2.0295 -1.8678 -1.8678 -1.8072 -1.8072 -1.8013 -1.8013 2.5123 2.5123 8.6253 8.6253 9.0492 9.0492 10.3558 10.3558 10.6492 10.6492 11.4980 11.4980 13.3366 13.3366 13.3662 13.3662 13.7111 13.7111 14.5517 14.5517 14.9674 14.9674 k = 0.0900 0.0900-0.0000 ( 3771 PWs) bands (ev): -37.6848 -37.6848 -16.6689 -16.6689 -16.1641 -16.1641 -16.1635 -16.1635 -3.0614 -3.0614 -3.0575 -3.0575 -3.0291 -3.0291 -3.0234 -3.0234 -2.9256 -2.9256 -2.9238 -2.9238 -2.1870 -2.1870 -2.1823 -2.1823 -2.1688 -2.1688 -2.0709 -2.0709 -2.0634 -2.0634 -2.0268 -2.0268 -1.8653 -1.8653 -1.8028 -1.8028 -1.7978 -1.7978 2.4818 2.4818 8.7406 8.7406 9.1386 9.1386 10.3357 10.3357 10.5997 10.5997 11.3501 11.3501 13.3827 13.3827 13.4158 13.4158 13.6856 13.6856 14.6084 14.6084 14.9740 14.9740 k = 0.0800 0.0800-0.0000 ( 3767 PWs) bands (ev): -37.6848 -37.6848 -16.6687 -16.6687 -16.1639 -16.1639 -16.1634 -16.1634 -3.0629 -3.0629 -3.0597 -3.0597 -3.0309 -3.0309 -3.0264 -3.0264 -2.9263 -2.9263 -2.9248 -2.9248 -2.1873 -2.1873 -2.1835 -2.1835 -2.1693 -2.1693 -2.0698 -2.0698 -2.0639 -2.0639 -2.0242 -2.0242 -1.8630 -1.8630 -1.7987 -1.7987 -1.7946 -1.7946 2.4544 2.4544 8.8581 8.8581 9.2253 9.2253 10.3172 10.3172 10.5512 10.5512 11.2027 11.2027 13.4221 13.4221 13.4587 13.4587 13.6629 13.6629 14.6690 14.6690 14.9822 14.9822 k = 0.0700 0.0700-0.0000 ( 3763 PWs) bands (ev): -37.6848 -37.6848 -16.6686 -16.6686 -16.1637 -16.1637 -16.1634 -16.1634 -3.0644 -3.0644 -3.0618 -3.0618 -3.0325 -3.0325 -3.0290 -3.0290 -2.9269 -2.9269 -2.9258 -2.9258 -2.1876 -2.1876 -2.1846 -2.1846 -2.1696 -2.1696 -2.0690 -2.0690 -2.0644 -2.0644 -2.0219 -2.0219 -1.8609 -1.8609 -1.7950 -1.7950 -1.7917 -1.7917 2.4303 2.4303 8.9773 8.9773 9.3087 9.3087 10.3001 10.3001 10.5039 10.5039 11.0566 11.0566 13.4569 13.4569 13.4934 13.4934 13.6427 13.6427 14.7309 14.7309 14.9662 14.9662 k = 0.0600 0.0600-0.0000 ( 3763 PWs) bands (ev): -37.6849 -37.6849 -16.6686 -16.6686 -16.1636 -16.1636 -16.1633 -16.1633 -3.0656 -3.0656 -3.0637 -3.0637 -3.0340 -3.0340 -3.0312 -3.0312 -2.9275 -2.9275 -2.9267 -2.9267 -2.1879 -2.1879 -2.1857 -2.1857 -2.1699 -2.1699 -2.0682 -2.0682 -2.0649 -2.0649 -2.0199 -2.0199 -1.8592 -1.8592 -1.7918 -1.7918 -1.7893 -1.7893 2.4094 2.4094 9.0977 9.0977 9.3877 9.3877 10.2842 10.2842 10.4581 10.4581 10.9129 10.9129 13.4875 13.4875 13.5203 13.5203 13.6253 13.6253 14.7879 14.7879 14.9026 14.9026 k = 0.0500 0.0500-0.0000 ( 3759 PWs) bands (ev): -37.6849 -37.6849 -16.6685 -16.6685 -16.1635 -16.1635 -16.1633 -16.1633 -3.0667 -3.0667 -3.0653 -3.0653 -3.0353 -3.0353 -3.0331 -3.0331 -2.9279 -2.9279 -2.9274 -2.9274 -2.1881 -2.1881 -2.1865 -2.1865 -2.1701 -2.1701 -2.0675 -2.0675 -2.0652 -2.0652 -2.0182 -2.0182 -1.8577 -1.8577 -1.7889 -1.7889 -1.7872 -1.7872 2.3917 2.3917 9.2183 9.2183 9.4613 9.4613 10.2690 10.2690 10.4142 10.4142 10.7735 10.7735 13.5138 13.5138 13.5405 13.5405 13.6105 13.6105 14.8065 14.8065 14.8846 14.8846 k = 0.0400 0.0400-0.0000 ( 3755 PWs) bands (ev): -37.6849 -37.6849 -16.6684 -16.6684 -16.1633 -16.1633 -16.1632 -16.1632 -3.0676 -3.0676 -3.0667 -3.0667 -3.0363 -3.0363 -3.0346 -3.0346 -2.9283 -2.9283 -2.9279 -2.9279 -2.1883 -2.1883 -2.1873 -2.1873 -2.1703 -2.1703 -2.0669 -2.0669 -2.0655 -2.0655 -2.0167 -2.0167 -1.8565 -1.8565 -1.7865 -1.7865 -1.7854 -1.7854 2.3772 2.3772 9.3377 9.3377 9.5278 9.5278 10.2541 10.2541 10.3726 10.3726 10.6413 10.6413 13.5357 13.5357 13.5552 13.5552 13.5985 13.5985 14.7705 14.7705 14.9260 14.9260 k = 0.0300 0.0300-0.0000 ( 3751 PWs) bands (ev): -37.6849 -37.6849 -16.6684 -16.6684 -16.1633 -16.1633 -16.1632 -16.1632 -3.0683 -3.0683 -3.0678 -3.0678 -3.0372 -3.0372 -3.0358 -3.0358 -2.9286 -2.9286 -2.9284 -2.9284 -2.1884 -2.1884 -2.1878 -2.1878 -2.1704 -2.1704 -2.0664 -2.0664 -2.0656 -2.0656 -2.0156 -2.0156 -1.8555 -1.8555 -1.7846 -1.7846 -1.7840 -1.7840 2.3660 2.3660 9.4528 9.4528 9.5852 9.5852 10.2391 10.2391 10.3317 10.3317 10.5228 10.5228 13.5528 13.5528 13.5654 13.5654 13.5893 13.5893 14.7341 14.7341 14.9703 14.9703 k = 0.0200 0.0200-0.0000 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1632 -16.1632 -16.1632 -16.1632 -3.0687 -3.0687 -3.0685 -3.0685 -3.0378 -3.0378 -3.0366 -3.0366 -2.9288 -2.9288 -2.9287 -2.9287 -2.1885 -2.1885 -2.1882 -2.1882 -2.1704 -2.1704 -2.0661 -2.0661 -2.0657 -2.0657 -2.0147 -2.0147 -1.8547 -1.8547 -1.7832 -1.7832 -1.7829 -1.7829 2.3579 2.3579 9.5573 9.5573 9.6303 9.6303 10.2248 10.2248 10.2858 10.2858 10.4324 10.4324 13.5649 13.5649 13.5718 13.5718 13.5832 13.5832 14.7069 14.7069 15.0055 15.0055 k = 0.0100 0.0100-0.0000 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1632 -16.1632 -16.1631 -16.1631 -3.0690 -3.0690 -3.0690 -3.0690 -3.0382 -3.0382 -3.0371 -3.0371 -2.9289 -2.9289 -2.9289 -2.9289 -2.1885 -2.1885 -2.1885 -2.1885 -2.1705 -2.1705 -2.0659 -2.0659 -2.0658 -2.0658 -2.0142 -2.0142 -1.8544 -1.8544 -1.7824 -1.7824 -1.7823 -1.7823 2.3531 2.3531 9.6377 9.6377 9.6596 9.6596 10.2138 10.2138 10.2346 10.2346 10.3842 10.3842 13.5718 13.5718 13.5740 13.5740 13.5812 13.5812 14.6904 14.6904 15.0278 15.0278 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1631 -16.1631 -16.1631 -16.1631 -3.0691 -3.0691 -3.0691 -3.0691 -3.0384 -3.0384 -3.0372 -3.0372 -2.9290 -2.9290 -2.9290 -2.9290 -2.1886 -2.1886 -2.1886 -2.1886 -2.1705 -2.1705 -2.0658 -2.0658 -2.0658 -2.0658 -2.0141 -2.0141 -1.8542 -1.8542 -1.7821 -1.7821 -1.7821 -1.7821 2.3515 2.3515 9.6699 9.6699 9.6699 9.6699 10.2096 10.2096 10.2096 10.2096 10.3709 10.3709 13.5740 13.5740 13.5740 13.5740 13.5815 13.5815 14.6848 14.6848 15.0355 15.0355 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1631 -16.1631 -16.1631 -16.1631 -3.0691 -3.0691 -3.0691 -3.0691 -3.0384 -3.0384 -3.0372 -3.0372 -2.9290 -2.9290 -2.9290 -2.9290 -2.1886 -2.1886 -2.1886 -2.1886 -2.1705 -2.1705 -2.0658 -2.0658 -2.0658 -2.0658 -2.0141 -2.0141 -1.8542 -1.8542 -1.7821 -1.7821 -1.7821 -1.7821 2.3515 2.3515 9.6699 9.6699 9.6699 9.6699 10.2096 10.2096 10.2096 10.2096 10.3709 10.3709 13.5740 13.5740 13.5740 13.5740 13.5815 13.5815 14.6848 14.6848 15.0355 15.0355 k = 0.0082 0.0082 0.0082 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1631 -16.1631 -16.1631 -16.1631 -3.0690 -3.0690 -3.0690 -3.0690 -3.0382 -3.0382 -3.0371 -3.0371 -2.9289 -2.9289 -2.9289 -2.9289 -2.1885 -2.1885 -2.1885 -2.1885 -2.1705 -2.1705 -2.0659 -2.0659 -2.0658 -2.0658 -2.0142 -2.0142 -1.8544 -1.8544 -1.7824 -1.7824 -1.7823 -1.7823 2.3531 2.3531 9.6466 9.6466 9.6501 9.6501 10.2142 10.2142 10.2350 10.2350 10.3841 10.3841 13.5718 13.5718 13.5740 13.5740 13.5814 13.5814 14.6904 14.6904 15.0305 15.0305 k = 0.0164 0.0164 0.0164 ( 3743 PWs) bands (ev): -37.6849 -37.6849 -16.6683 -16.6683 -16.1632 -16.1632 -16.1632 -16.1632 -3.0686 -3.0686 -3.0686 -3.0686 -3.0378 -3.0378 -3.0366 -3.0366 -2.9288 -2.9288 -2.9287 -2.9287 -2.1884 -2.1884 -2.1883 -2.1883 -2.1704 -2.1704 -2.0661 -2.0661 -2.0657 -2.0657 -2.0147 -2.0147 -1.8548 -1.8548 -1.7831 -1.7831 -1.7830 -1.7830 2.3580 2.3580 9.5868 9.5868 9.5973 9.5973 10.2179 10.2179 10.3014 10.3014 10.4271 10.4271 13.5651 13.5651 13.5701 13.5701 13.5847 13.5847 14.7073 14.7073 15.0159 15.0159 k = 0.0246 0.0246 0.0246 ( 3755 PWs) bands (ev): -37.6849 -37.6849 -16.6684 -16.6684 -16.1633 -16.1633 -16.1632 -16.1632 -3.0680 -3.0680 -3.0680 -3.0680 -3.0372 -3.0372 -3.0358 -3.0358 -2.9286 -2.9286 -2.9284 -2.9284 -2.1883 -2.1883 -2.1880 -2.1880 -2.1704 -2.1704 -2.0665 -2.0665 -2.0656 -2.0656 -2.0156 -2.0156 -1.8556 -1.8556 -1.7844 -1.7844 -1.7843 -1.7843 2.3661 2.3661 9.5069 9.5069 9.5240 9.5240 10.2093 10.2093 10.3923 10.3923 10.4992 10.4992 13.5538 13.5538 13.5606 13.5606 13.5925 13.5925 14.7354 14.7354 14.9927 14.9927 k = 0.0328 0.0328 0.0328 ( 3755 PWs) bands (ev): -37.6849 -37.6849 -16.6684 -16.6684 -16.1633 -16.1633 -16.1633 -16.1633 -3.0671 -3.0671 -3.0671 -3.0671 -3.0364 -3.0364 -3.0346 -3.0346 -2.9283 -2.9283 -2.9280 -2.9280 -2.1880 -2.1880 -2.1875 -2.1875 -2.1703 -2.1703 -2.0670 -2.0670 -2.0653 -2.0653 -2.0168 -2.0168 -1.8565 -1.8565 -1.7860 -1.7860 -1.7859 -1.7859 2.3774 2.3774 9.4175 9.4175 9.4397 9.4397 10.1882 10.1882 10.4970 10.4970 10.5914 10.5914 13.5378 13.5378 13.5467 13.5467 13.6035 13.6035 14.7747 14.7747 14.9625 14.9625 k = 0.0410 0.0410 0.0410 ( 3755 PWs) bands (ev): -37.6849 -37.6849 -16.6685 -16.6685 -16.1634 -16.1634 -16.1633 -16.1633 -3.0660 -3.0660 -3.0659 -3.0659 -3.0353 -3.0353 -3.0330 -3.0330 -2.9279 -2.9279 -2.9274 -2.9274 -2.1877 -2.1877 -2.1869 -2.1869 -2.1701 -2.1701 -2.0677 -2.0677 -2.0650 -2.0650 -2.0182 -2.0182 -1.8577 -1.8577 -1.7880 -1.7880 -1.7880 -1.7880 2.3920 2.3920 9.3240 9.3240 9.3500 9.3500 10.1576 10.1576 10.6098 10.6098 10.6956 10.6956 13.5169 13.5169 13.5284 13.5284 13.6166 13.6166 14.8253 14.8253 14.9270 14.9270 k = 0.0492 0.0492 0.0492 ( 3761 PWs) bands (ev): -37.6849 -37.6849 -16.6686 -16.6686 -16.1635 -16.1635 -16.1634 -16.1634 -3.0647 -3.0647 -3.0646 -3.0646 -3.0340 -3.0340 -3.0311 -3.0311 -2.9274 -2.9274 -2.9267 -2.9267 -2.1873 -2.1873 -2.1862 -2.1862 -2.1699 -2.1699 -2.0685 -2.0685 -2.0646 -2.0646 -2.0200 -2.0200 -1.8592 -1.8592 -1.7906 -1.7906 -1.7905 -1.7905 2.4099 2.4099 9.2294 9.2294 9.2579 9.2579 10.1193 10.1193 10.7279 10.7279 10.8074 10.8074 13.4909 13.4909 13.5056 13.5056 13.6313 13.6313 14.8864 14.8864 14.8882 14.8882 k = 0.0574 0.0574 0.0574 ( 3767 PWs) bands (ev): -37.6848 -37.6848 -16.6687 -16.6687 -16.1636 -16.1636 -16.1635 -16.1635 -3.0631 -3.0631 -3.0630 -3.0630 -3.0326 -3.0326 -3.0289 -3.0289 -2.9269 -2.9269 -2.9258 -2.9258 -2.1869 -2.1869 -2.1854 -2.1854 -2.1696 -2.1696 -2.0693 -2.0693 -2.0640 -2.0640 -2.0221 -2.0221 -1.8611 -1.8611 -1.7936 -1.7936 -1.7934 -1.7934 2.4309 2.4309 9.1349 9.1349 9.1653 9.1653 10.0748 10.0748 10.8495 10.8495 10.9239 10.9239 13.4595 13.4595 13.4783 13.4783 13.6470 13.6470 14.8478 14.8478 14.8814 14.8814 k = 0.0656 0.0656 0.0656 ( 3767 PWs) bands (ev): -37.6848 -37.6848 -16.6688 -16.6688 -16.1638 -16.1638 -16.1636 -16.1636 -3.0614 -3.0614 -3.0612 -3.0612 -3.0309 -3.0309 -3.0263 -3.0263 -2.9262 -2.9262 -2.9249 -2.9249 -2.1863 -2.1863 -2.1844 -2.1844 -2.1693 -2.1693 -2.0704 -2.0704 -2.0634 -2.0634 -2.0243 -2.0243 -1.8631 -1.8631 -1.7969 -1.7969 -1.7966 -1.7966 2.4552 2.4552 9.0416 9.0416 9.0732 9.0732 10.0253 10.0253 10.9736 10.9736 11.0435 11.0435 13.4228 13.4228 13.4463 13.4463 13.6631 13.6631 14.8074 14.8074 14.8467 14.8467 k = 0.0738 0.0738 0.0738 ( 3761 PWs) bands (ev): -37.6848 -37.6848 -16.6688 -16.6688 -16.1639 -16.1639 -16.1637 -16.1637 -3.0595 -3.0595 -3.0591 -3.0591 -3.0289 -3.0289 -3.0233 -3.0233 -2.9254 -2.9254 -2.9238 -2.9238 -2.1857 -2.1857 -2.1832 -2.1832 -2.1689 -2.1689 -2.0715 -2.0715 -2.0625 -2.0625 -2.0268 -2.0268 -1.8655 -1.8655 -1.8005 -1.8005 -1.8000 -1.8000 2.4828 2.4828 8.9499 8.9499 8.9823 8.9823 9.9716 9.9716 11.0992 11.0992 11.1649 11.1649 13.3806 13.3806 13.4099 13.4099 13.6794 13.6794 14.7683 14.7683 14.8124 14.8124 k = 0.0820 0.0820 0.0820 ( 3767 PWs) bands (ev): -37.6848 -37.6848 -16.6690 -16.6690 -16.1641 -16.1641 -16.1638 -16.1638 -3.0576 -3.0576 -3.0569 -3.0569 -3.0268 -3.0268 -3.0201 -3.0201 -2.9246 -2.9246 -2.9227 -2.9227 -2.1852 -2.1852 -2.1820 -2.1820 -2.1685 -2.1685 -2.0728 -2.0728 -2.0617 -2.0617 -2.0296 -2.0296 -1.8682 -1.8682 -1.8046 -1.8046 -1.8039 -1.8039 2.5136 2.5136 8.8601 8.8601 8.8929 8.8929 9.9146 9.9146 11.2255 11.2255 11.2869 11.2869 13.3333 13.3333 13.3690 13.3690 13.6956 13.6956 14.7317 14.7317 14.7795 14.7795 k = 0.0902 0.0902 0.0902 ( 3761 PWs) bands (ev): -37.6848 -37.6848 -16.6691 -16.6691 -16.1642 -16.1642 -16.1639 -16.1639 -3.0555 -3.0555 -3.0546 -3.0546 -3.0243 -3.0243 -3.0166 -3.0166 -2.9236 -2.9236 -2.9214 -2.9214 -2.1845 -2.1845 -2.1806 -2.1806 -2.1680 -2.1680 -2.0743 -2.0743 -2.0607 -2.0607 -2.0325 -2.0325 -1.8712 -1.8712 -1.8089 -1.8089 -1.8077 -1.8077 2.5476 2.5476 8.7725 8.7725 8.8055 8.8055 9.8549 9.8549 11.3517 11.3517 11.4087 11.4087 13.2813 13.2813 13.3245 13.3245 13.7113 13.7113 14.6982 14.6982 14.7489 14.7489 k = 0.0984 0.0984 0.0984 ( 3767 PWs) bands (ev): -37.6848 -37.6848 -16.6692 -16.6692 -16.1644 -16.1644 -16.1641 -16.1641 -3.0535 -3.0535 -3.0522 -3.0522 -3.0218 -3.0218 -3.0129 -3.0129 -2.9226 -2.9226 -2.9201 -2.9201 -2.1839 -2.1839 -2.1793 -2.1793 -2.1675 -2.1675 -2.0759 -2.0759 -2.0596 -2.0596 -2.0356 -2.0356 -1.8746 -1.8746 -1.8137 -1.8137 -1.8117 -1.8117 2.5848 2.5848 8.6872 8.6872 8.7202 8.7202 9.7934 9.7934 11.4768 11.4768 11.5288 11.5288 13.2255 13.2255 13.2768 13.2768 13.7266 13.7266 14.6686 14.6686 14.7212 14.7212 k = 0.1066 0.1066 0.1066 ( 3749 PWs) bands (ev): -37.6848 -37.6848 -16.6694 -16.6694 -16.1645 -16.1645 -16.1642 -16.1642 -3.0512 -3.0512 -3.0495 -3.0495 -3.0188 -3.0188 -3.0088 -3.0088 -2.9214 -2.9214 -2.9186 -2.9186 -2.1831 -2.1831 -2.1777 -2.1777 -2.1668 -2.1668 -2.0774 -2.0774 -2.0581 -2.0581 -2.0388 -2.0388 -1.8781 -1.8781 -1.8186 -1.8186 -1.8156 -1.8156 2.6253 2.6253 8.6045 8.6045 8.6372 8.6372 9.7305 9.7305 11.5993 11.5993 11.6458 11.6458 13.1671 13.1671 13.2275 13.2275 13.7412 13.7412 14.6429 14.6429 14.6968 14.6968 k = 0.1148 0.1148 0.1148 ( 3740 PWs) bands (ev): -37.6848 -37.6848 -16.6695 -16.6695 -16.1647 -16.1647 -16.1643 -16.1643 -3.0490 -3.0490 -3.0468 -3.0468 -3.0157 -3.0157 -3.0045 -3.0045 -2.9202 -2.9202 -2.9171 -2.9171 -2.1824 -2.1824 -2.1760 -2.1760 -2.1661 -2.1661 -2.0793 -2.0793 -2.0567 -2.0567 -2.0420 -2.0420 -1.8821 -1.8821 -1.8237 -1.8237 -1.8197 -1.8197 2.6689 2.6689 8.5242 8.5242 8.5566 8.5566 9.6669 9.6669 11.7175 11.7175 11.7577 11.7577 13.1080 13.1080 13.1782 13.1782 13.7553 13.7553 14.6215 14.6215 14.6760 14.6760 k = 0.1230 0.1230 0.1230 ( 3740 PWs) bands (ev): -37.6848 -37.6848 -16.6696 -16.6696 -16.1649 -16.1649 -16.1645 -16.1645 -3.0468 -3.0468 -3.0441 -3.0441 -3.0125 -3.0125 -3.0003 -3.0003 -2.9192 -2.9192 -2.9156 -2.9156 -2.1818 -2.1818 -2.1743 -2.1743 -2.1653 -2.1653 -2.0813 -2.0813 -2.0551 -2.0551 -2.0454 -2.0454 -1.8867 -1.8867 -1.8293 -1.8293 -1.8237 -1.8237 2.7158 2.7158 8.4466 8.4466 8.4784 8.4784 9.6031 9.6031 11.8287 11.8287 11.8617 11.8617 13.0509 13.0509 13.1315 13.1315 13.7686 13.7686 14.6042 14.6042 14.6588 14.6588 k = 0.1311 0.1311 0.1311 ( 3740 PWs) bands (ev): -37.6847 -37.6847 -16.6698 -16.6698 -16.1651 -16.1651 -16.1646 -16.1646 -3.0445 -3.0445 -3.0414 -3.0414 -3.0092 -3.0092 -2.9959 -2.9959 -2.9180 -2.9180 -2.9140 -2.9140 -2.1813 -2.1813 -2.1725 -2.1725 -2.1645 -2.1645 -2.0833 -2.0833 -2.0533 -2.0533 -2.0489 -2.0489 -1.8916 -1.8916 -1.8351 -1.8351 -1.8276 -1.8276 2.7658 2.7658 8.3715 8.3715 8.4029 8.4029 9.5394 9.5394 11.9286 11.9286 11.9539 11.9539 12.9999 12.9999 13.0914 13.0914 13.7810 13.7810 14.5909 14.5909 14.6452 14.6452 k = 0.1393 0.1393 0.1393 ( 3731 PWs) bands (ev): -37.6847 -37.6847 -16.6700 -16.6700 -16.1653 -16.1653 -16.1648 -16.1648 -3.0421 -3.0421 -3.0386 -3.0386 -3.0057 -3.0057 -2.9913 -2.9913 -2.9169 -2.9169 -2.9123 -2.9123 -2.1808 -2.1808 -2.1707 -2.1707 -2.1635 -2.1635 -2.0853 -2.0853 -2.0522 -2.0522 -2.0512 -2.0512 -1.8969 -1.8969 -1.8410 -1.8410 -1.8313 -1.8313 2.8190 2.8190 8.2992 8.2992 8.3299 8.3299 9.4762 9.4762 12.0117 12.0117 12.0293 12.0293 12.9611 12.9611 13.0627 13.0627 13.7925 13.7925 14.5816 14.5816 14.6352 14.6352 k = 0.1475 0.1475 0.1475 ( 3725 PWs) bands (ev): -37.6847 -37.6847 -16.6701 -16.6701 -16.1655 -16.1655 -16.1649 -16.1649 -3.0399 -3.0399 -3.0358 -3.0358 -3.0021 -3.0021 -2.9868 -2.9868 -2.9157 -2.9157 -2.9106 -2.9106 -2.1805 -2.1805 -2.1688 -2.1688 -2.1625 -2.1625 -2.0873 -2.0873 -2.0555 -2.0555 -2.0490 -2.0490 -1.9027 -1.9027 -1.8471 -1.8471 -1.8348 -1.8348 2.8754 2.8754 8.2296 8.2296 8.2596 8.2596 9.4140 9.4140 12.0701 12.0701 12.0821 12.0821 12.9418 12.9418 13.0510 13.0510 13.8029 13.8029 14.5758 14.5758 14.6286 14.6286 k = 0.1557 0.1557 0.1557 ( 3713 PWs) bands (ev): -37.6847 -37.6847 -16.6703 -16.6703 -16.1657 -16.1657 -16.1651 -16.1651 -3.0376 -3.0376 -3.0331 -3.0331 -2.9984 -2.9984 -2.9821 -2.9821 -2.9145 -2.9145 -2.9089 -2.9089 -2.1802 -2.1802 -2.1668 -2.1668 -2.1615 -2.1615 -2.0894 -2.0894 -2.0586 -2.0586 -2.0465 -2.0465 -1.9088 -1.9088 -1.8532 -1.8532 -1.8380 -1.8380 2.9350 2.9350 8.1628 8.1628 8.1919 8.1919 9.3530 9.3530 12.0972 12.0972 12.1075 12.1075 12.9490 12.9490 13.0609 13.0609 13.8117 13.8117 14.5736 14.5736 14.6252 14.6252 k = 0.1639 0.1639 0.1639 ( 3713 PWs) bands (ev): -37.6847 -37.6847 -16.6705 -16.6705 -16.1659 -16.1659 -16.1653 -16.1653 -3.0354 -3.0354 -3.0304 -3.0304 -2.9947 -2.9947 -2.9775 -2.9775 -2.9135 -2.9135 -2.9072 -2.9072 -2.1802 -2.1802 -2.1648 -2.1648 -2.1605 -2.1605 -2.0916 -2.0916 -2.0616 -2.0616 -2.0439 -2.0439 -1.9154 -1.9154 -1.8595 -1.8595 -1.8411 -1.8411 2.9976 2.9976 8.0986 8.0986 8.1270 8.1270 9.2935 9.2935 12.0906 12.0906 12.1041 12.1041 12.9845 12.9845 13.0936 13.0936 13.8186 13.8186 14.5745 14.5745 14.6248 14.6248 k = 0.1721 0.1721 0.1721 ( 3713 PWs) bands (ev): -37.6847 -37.6847 -16.6706 -16.6706 -16.1662 -16.1662 -16.1654 -16.1654 -3.0332 -3.0332 -3.0279 -3.0279 -2.9911 -2.9911 -2.9729 -2.9729 -2.9125 -2.9125 -2.9056 -2.9056 -2.1805 -2.1805 -2.1627 -2.1627 -2.1595 -2.1595 -2.0937 -2.0937 -2.0644 -2.0644 -2.0412 -2.0412 -1.9222 -1.9222 -1.8659 -1.8659 -1.8439 -1.8439 3.0634 3.0634 8.0372 8.0372 8.0647 8.0647 9.2357 9.2357 12.0545 12.0545 12.0748 12.0748 13.0439 13.0439 13.1459 13.1459 13.8228 13.8228 14.5785 14.5785 14.6272 14.6272 k = 0.1803 0.1803 0.1803 ( 3725 PWs) bands (ev): -37.6846 -37.6846 -16.6709 -16.6709 -16.1664 -16.1664 -16.1656 -16.1656 -3.0311 -3.0311 -3.0254 -3.0254 -2.9876 -2.9876 -2.9687 -2.9687 -2.9118 -2.9118 -2.9041 -2.9041 -2.1811 -2.1811 -2.1606 -2.1606 -2.1586 -2.1586 -2.0958 -2.0958 -2.0671 -2.0671 -2.0383 -2.0383 -1.9295 -1.9295 -1.8723 -1.8723 -1.8466 -1.8466 3.1323 3.1323 7.9786 7.9786 8.0052 8.0052 9.1799 9.1799 11.9964 11.9964 12.0248 12.0248 13.1193 13.1193 13.2122 13.2122 13.8233 13.8233 14.5854 14.5854 14.6319 14.6319 k = 0.1885 0.1885 0.1885 ( 3713 PWs) bands (ev): -37.6846 -37.6846 -16.6710 -16.6710 -16.1666 -16.1666 -16.1658 -16.1658 -3.0289 -3.0289 -3.0230 -3.0230 -2.9840 -2.9840 -2.9641 -2.9641 -2.9109 -2.9109 -2.9024 -2.9024 -2.1819 -2.1819 -2.1583 -2.1583 -2.1576 -2.1576 -2.0976 -2.0976 -2.0691 -2.0691 -2.0351 -2.0351 -1.9367 -1.9367 -1.8786 -1.8786 -1.8488 -1.8488 3.2042 3.2042 7.9227 7.9227 7.9484 7.9484 9.1262 9.1262 11.9232 11.9232 11.9596 11.9596 13.2035 13.2035 13.2864 13.2864 13.8184 13.8184 14.5948 14.5948 14.6385 14.6385 k = 0.1967 0.1967 0.1967 ( 3704 PWs) bands (ev): -37.6846 -37.6846 -16.6712 -16.6712 -16.1669 -16.1669 -16.1660 -16.1660 -3.0268 -3.0268 -3.0207 -3.0207 -2.9804 -2.9804 -2.9598 -2.9598 -2.9102 -2.9102 -2.9009 -2.9009 -2.1829 -2.1829 -2.1567 -2.1567 -2.1559 -2.1559 -2.0994 -2.0994 -2.0708 -2.0708 -2.0318 -2.0318 -1.9440 -1.9440 -1.8848 -1.8848 -1.8509 -1.8509 3.2792 3.2792 7.8696 7.8696 7.8943 7.8943 9.0748 9.0748 11.8399 11.8399 11.8835 11.8835 13.2910 13.2910 13.3639 13.3639 13.8056 13.8056 14.6065 14.6065 14.6460 14.6460 k = 0.2049 0.2049 0.2049 ( 3710 PWs) bands (ev): -37.6846 -37.6846 -16.6714 -16.6714 -16.1671 -16.1671 -16.1662 -16.1662 -3.0248 -3.0248 -3.0186 -3.0186 -2.9772 -2.9772 -2.9557 -2.9557 -2.9097 -2.9097 -2.8996 -2.8996 -2.1845 -2.1845 -2.1561 -2.1561 -2.1535 -2.1535 -2.1009 -2.1009 -2.0721 -2.0721 -2.0284 -2.0284 -1.9516 -1.9516 -1.8909 -1.8909 -1.8528 -1.8528 3.3572 3.3572 7.8191 7.8191 7.8429 7.8429 9.0258 9.0258 11.7497 11.7497 11.7997 11.7997 13.3780 13.3780 13.4407 13.4407 13.7812 13.7812 14.6203 14.6203 14.6486 14.6486 k = 0.2131 0.2131 0.2131 ( 3722 PWs) bands (ev): -37.6846 -37.6846 -16.6716 -16.6716 -16.1673 -16.1673 -16.1664 -16.1664 -3.0230 -3.0230 -3.0166 -3.0166 -2.9743 -2.9743 -2.9518 -2.9518 -2.9095 -2.9095 -2.8984 -2.8984 -2.1865 -2.1865 -2.1556 -2.1556 -2.1512 -2.1512 -2.1022 -2.1022 -2.0730 -2.0730 -2.0250 -2.0250 -1.9591 -1.9591 -1.8970 -1.8970 -1.8548 -1.8548 3.4382 3.4382 7.7714 7.7714 7.7942 7.7942 8.9795 8.9795 11.6550 11.6550 11.7106 11.7106 13.4618 13.4618 13.5133 13.5133 13.7406 13.7406 14.5902 14.5902 14.6357 14.6357 k = 0.2213 0.2213 0.2213 ( 3722 PWs) bands (ev): -37.6845 -37.6845 -16.6718 -16.6718 -16.1675 -16.1675 -16.1666 -16.1666 -3.0211 -3.0211 -3.0148 -3.0148 -2.9714 -2.9714 -2.9481 -2.9481 -2.9093 -2.9093 -2.8972 -2.8972 -2.1886 -2.1886 -2.1553 -2.1553 -2.1486 -2.1486 -2.1032 -2.1032 -2.0733 -2.0733 -2.0215 -2.0215 -1.9666 -1.9666 -1.9026 -1.9026 -1.8563 -1.8563 3.5222 3.5222 7.7264 7.7264 7.7482 7.7482 8.9358 8.9358 11.5573 11.5573 11.6176 11.6176 13.5407 13.5407 13.5735 13.5735 13.6843 13.6843 14.4826 14.4826 14.6523 14.6523 k = 0.2295 0.2295 0.2295 ( 3722 PWs) bands (ev): -37.6845 -37.6845 -16.6719 -16.6719 -16.1678 -16.1678 -16.1668 -16.1668 -3.0194 -3.0194 -3.0131 -3.0131 -2.9687 -2.9687 -2.9445 -2.9445 -2.9093 -2.9093 -2.8963 -2.8963 -2.1910 -2.1910 -2.1552 -2.1552 -2.1460 -2.1460 -2.1041 -2.1041 -2.0730 -2.0730 -2.0181 -2.0181 -1.9737 -1.9737 -1.9078 -1.9078 -1.8577 -1.8577 3.6091 3.6091 7.6841 7.6841 7.7048 7.7048 8.8948 8.8948 11.4576 11.4576 11.5220 11.5220 13.5540 13.5540 13.6136 13.6136 13.6745 13.6745 14.3966 14.3966 14.6698 14.6698 k = 0.2377 0.2377 0.2377 ( 3728 PWs) bands (ev): -37.6845 -37.6845 -16.6721 -16.6721 -16.1680 -16.1680 -16.1670 -16.1670 -3.0176 -3.0176 -3.0116 -3.0116 -2.9662 -2.9662 -2.9412 -2.9412 -2.9097 -2.9097 -2.8955 -2.8955 -2.1938 -2.1938 -2.1556 -2.1556 -2.1432 -2.1432 -2.1046 -2.1046 -2.0722 -2.0722 -2.0149 -2.0149 -1.9809 -1.9809 -1.9127 -1.9127 -1.8588 -1.8588 3.6988 3.6988 7.6444 7.6444 7.6641 7.6641 8.8568 8.8568 11.3566 11.3566 11.4247 11.4247 13.4427 13.4427 13.6799 13.6799 13.7240 13.7240 14.3370 14.3370 14.6875 14.6875 k = 0.2459 0.2459 0.2459 ( 3728 PWs) bands (ev): -37.6845 -37.6845 -16.6723 -16.6723 -16.1682 -16.1682 -16.1672 -16.1672 -3.0160 -3.0160 -3.0102 -3.0102 -2.9639 -2.9639 -2.9381 -2.9381 -2.9102 -2.9102 -2.8948 -2.8948 -2.1967 -2.1967 -2.1562 -2.1562 -2.1404 -2.1404 -2.1048 -2.1048 -2.0708 -2.0708 -2.0119 -2.0119 -1.9878 -1.9878 -1.9170 -1.9170 -1.8598 -1.8598 3.7914 3.7914 7.6074 7.6074 7.6260 7.6260 8.8216 8.8216 11.2551 11.2551 11.3263 11.3263 13.3026 13.3026 13.7394 13.7394 13.7750 13.7750 14.2993 14.2993 14.7051 14.7051 k = 0.2541 0.2541 0.2541 ( 3728 PWs) bands (ev): -37.6845 -37.6845 -16.6725 -16.6725 -16.1683 -16.1683 -16.1674 -16.1674 -3.0145 -3.0145 -3.0089 -3.0089 -2.9619 -2.9619 -2.9353 -2.9353 -2.9110 -2.9110 -2.8942 -2.8942 -2.1998 -2.1998 -2.1573 -2.1573 -2.1375 -2.1375 -2.1047 -2.1047 -2.0690 -2.0690 -2.0092 -2.0092 -1.9944 -1.9944 -1.9206 -1.9206 -1.8606 -1.8606 3.8868 3.8868 7.5729 7.5729 7.5905 7.5905 8.7893 8.7893 11.1534 11.1534 11.2273 11.2273 13.1465 13.1465 13.7921 13.7921 13.8215 13.8215 14.2772 14.2772 14.7220 14.7220 k = 0.2623 0.2623 0.2623 ( 3725 PWs) bands (ev): -37.6844 -37.6844 -16.6726 -16.6726 -16.1685 -16.1685 -16.1675 -16.1675 -3.0130 -3.0130 -3.0077 -3.0077 -2.9600 -2.9600 -2.9327 -2.9327 -2.9119 -2.9119 -2.8939 -2.8939 -2.2029 -2.2029 -2.1586 -2.1586 -2.1345 -2.1345 -2.1043 -2.1043 -2.0667 -2.0667 -2.0071 -2.0071 -2.0005 -2.0005 -1.9232 -1.9232 -1.8612 -1.8612 3.9849 3.9849 7.5410 7.5410 7.5576 7.5576 8.7600 8.7600 11.0520 11.0520 11.1283 11.1283 12.9805 12.9805 13.8383 13.8383 13.8627 13.8627 14.2654 14.2654 14.7381 14.7381 k = 0.2705 0.2705 0.2705 ( 3722 PWs) bands (ev): -37.6844 -37.6844 -16.6728 -16.6728 -16.1687 -16.1687 -16.1677 -16.1677 -3.0117 -3.0117 -3.0067 -3.0067 -2.9585 -2.9585 -2.9304 -2.9304 -2.9131 -2.9131 -2.8938 -2.8938 -2.2062 -2.2062 -2.1603 -2.1603 -2.1315 -2.1315 -2.1035 -2.1035 -2.0641 -2.0641 -2.0063 -2.0063 -2.0056 -2.0056 -1.9249 -1.9249 -1.8616 -1.8616 4.0857 4.0857 7.5117 7.5117 7.5272 7.5272 8.7337 8.7337 10.9512 10.9512 11.0296 11.0296 12.8086 12.8086 13.8785 13.8785 13.8988 13.8988 14.2602 14.2602 14.7531 14.7531 k = 0.2787 0.2787 0.2787 ( 3722 PWs) bands (ev): -37.6844 -37.6844 -16.6729 -16.6729 -16.1688 -16.1688 -16.1679 -16.1679 -3.0105 -3.0105 -3.0059 -3.0059 -2.9571 -2.9571 -2.9283 -2.9283 -2.9145 -2.9145 -2.8939 -2.8939 -2.2095 -2.2095 -2.1625 -2.1625 -2.1283 -2.1283 -2.1026 -2.1026 -2.0612 -2.0612 -2.0116 -2.0116 -2.0049 -2.0049 -1.9255 -1.9255 -1.8618 -1.8618 4.1892 4.1892 7.4849 7.4849 7.4993 7.4993 8.7103 8.7103 10.8511 10.8511 10.9314 10.9314 12.6334 12.6334 13.9132 13.9132 13.9300 13.9300 14.2593 14.2593 14.7669 14.7669 k = 0.2869 0.2869 0.2869 ( 3716 PWs) bands (ev): -37.6844 -37.6844 -16.6730 -16.6730 -16.1690 -16.1690 -16.1680 -16.1680 -3.0094 -3.0094 -3.0051 -3.0051 -2.9560 -2.9560 -2.9265 -2.9265 -2.9162 -2.9162 -2.8941 -2.8941 -2.2128 -2.2128 -2.1650 -2.1650 -2.1251 -2.1251 -2.1012 -2.1012 -2.0581 -2.0581 -2.0163 -2.0163 -2.0050 -2.0050 -1.9249 -1.9249 -1.8618 -1.8618 4.2952 4.2952 7.4605 7.4605 7.4738 7.4738 8.6899 8.6899 10.7521 10.7521 10.8341 10.8341 12.4564 12.4564 13.9431 13.9431 13.9569 13.9569 14.2610 14.2610 14.7796 14.7796 k = 0.2951 0.2951 0.2951 ( 3728 PWs) bands (ev): -37.6844 -37.6844 -16.6732 -16.6732 -16.1691 -16.1691 -16.1682 -16.1682 -3.0084 -3.0084 -3.0046 -3.0046 -2.9553 -2.9553 -2.9251 -2.9251 -2.9183 -2.9183 -2.8945 -2.8945 -2.2163 -2.2163 -2.1679 -2.1679 -2.1220 -2.1220 -2.0996 -2.0996 -2.0554 -2.0554 -2.0205 -2.0205 -2.0060 -2.0060 -1.9233 -1.9233 -1.8617 -1.8617 4.4038 4.4038 7.4385 7.4385 7.4507 7.4507 8.6723 8.6723 10.6545 10.6545 10.7379 10.7379 12.2786 12.2786 13.9685 13.9685 13.9798 13.9798 14.2640 14.2640 14.7912 14.7912 k = 0.3033 0.3033 0.3033 ( 3728 PWs) bands (ev): -37.6843 -37.6843 -16.6733 -16.6733 -16.1693 -16.1693 -16.1684 -16.1684 -3.0076 -3.0076 -3.0042 -3.0042 -2.9546 -2.9546 -2.9237 -2.9237 -2.9204 -2.9204 -2.8952 -2.8952 -2.2196 -2.2196 -2.1709 -2.1709 -2.1188 -2.1188 -2.0977 -2.0977 -2.0528 -2.0528 -2.0237 -2.0237 -2.0076 -2.0076 -1.9206 -1.9206 -1.8614 -1.8614 4.5148 4.5148 7.4188 7.4188 7.4300 7.4300 8.6576 8.6576 10.5583 10.5583 10.6431 10.6431 12.1009 12.1009 13.9900 13.9900 13.9992 13.9992 14.2675 14.2675 14.8020 14.8020 k = 0.3115 0.3115 0.3115 ( 3719 PWs) bands (ev): -37.6843 -37.6843 -16.6734 -16.6734 -16.1694 -16.1694 -16.1685 -16.1685 -3.0068 -3.0068 -3.0038 -3.0038 -2.9541 -2.9541 -2.9226 -2.9226 -2.9226 -2.9226 -2.8958 -2.8958 -2.2227 -2.2227 -2.1741 -2.1741 -2.1155 -2.1155 -2.0955 -2.0955 -2.0509 -2.0509 -2.0257 -2.0257 -2.0098 -2.0098 -1.9171 -1.9171 -1.8609 -1.8609 4.6282 4.6282 7.4015 7.4015 7.4115 7.4115 8.6456 8.6456 10.4638 10.4638 10.5499 10.5499 11.9238 11.9238 14.0081 14.0081 14.0155 14.0155 14.2708 14.2708 14.8120 14.8120 k = 0.3197 0.3197 0.3197 ( 3716 PWs) bands (ev): -37.6843 -37.6843 -16.6735 -16.6735 -16.1695 -16.1695 -16.1686 -16.1686 -3.0063 -3.0063 -3.0037 -3.0037 -2.9538 -2.9538 -2.9250 -2.9250 -2.9217 -2.9217 -2.8967 -2.8967 -2.2258 -2.2258 -2.1775 -2.1775 -2.1122 -2.1122 -2.0934 -2.0934 -2.0500 -2.0500 -2.0261 -2.0261 -2.0124 -2.0124 -1.9130 -1.9130 -1.8601 -1.8601 4.7439 4.7439 7.3863 7.3863 7.3953 7.3953 8.6361 8.6361 10.3712 10.3712 10.4584 10.4584 11.7476 11.7476 14.0233 14.0233 14.0291 14.0291 14.2731 14.2731 14.8214 14.8214 k = 0.3279 0.3279 0.3279 ( 3710 PWs) bands (ev): -37.6843 -37.6843 -16.6736 -16.6736 -16.1695 -16.1695 -16.1688 -16.1688 -3.0059 -3.0059 -3.0036 -3.0036 -2.9537 -2.9537 -2.9274 -2.9274 -2.9210 -2.9210 -2.8978 -2.8978 -2.2288 -2.2288 -2.1809 -2.1809 -2.1089 -2.1089 -2.0911 -2.0911 -2.0503 -2.0503 -2.0250 -2.0250 -2.0152 -2.0152 -1.9083 -1.9083 -1.8592 -1.8592 4.8619 4.8619 7.3734 7.3734 7.3812 7.3812 8.6291 8.6291 10.2807 10.2807 10.3689 10.3689 11.5728 11.5728 14.0359 14.0359 14.0404 14.0404 14.2738 14.2738 14.8305 14.8305 k = 0.3361 0.3361 0.3361 ( 3710 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1696 -16.1696 -16.1689 -16.1689 -3.0057 -3.0057 -3.0037 -3.0037 -2.9538 -2.9538 -2.9300 -2.9300 -2.9205 -2.9205 -2.8990 -2.8990 -2.2317 -2.2317 -2.1844 -2.1844 -2.1057 -2.1057 -2.0888 -2.0888 -2.0514 -2.0514 -2.0227 -2.0227 -2.0183 -2.0183 -1.9033 -1.9033 -1.8581 -1.8581 4.9820 4.9820 7.3625 7.3625 7.3691 7.3691 8.6244 8.6244 10.1923 10.1923 10.2815 10.2815 11.3994 11.3994 14.0462 14.0462 14.0495 14.0495 14.2723 14.2723 14.8393 14.8393 k = 0.3443 0.3443 0.3443 ( 3716 PWs) bands (ev): -37.6843 -37.6843 -16.6738 -16.6738 -16.1697 -16.1697 -16.1690 -16.1690 -3.0056 -3.0056 -3.0039 -3.0039 -2.9540 -2.9540 -2.9326 -2.9326 -2.9203 -2.9203 -2.9004 -2.9004 -2.2346 -2.2346 -2.1880 -2.1880 -2.1026 -2.1026 -2.0865 -2.0865 -2.0530 -2.0530 -2.0215 -2.0215 -2.0198 -2.0198 -1.8981 -1.8981 -1.8569 -1.8569 5.1042 5.1042 7.3536 7.3536 7.3590 7.3590 8.6217 8.6217 10.1064 10.1064 10.1965 10.1965 11.2279 11.2279 14.0545 14.0545 14.0569 14.0569 14.2677 14.2677 14.8479 14.8479 k = 0.3525 0.3525 0.3525 ( 3719 PWs) bands (ev): -37.6843 -37.6843 -16.6739 -16.6739 -16.1698 -16.1698 -16.1692 -16.1692 -3.0058 -3.0058 -3.0043 -3.0043 -2.9543 -2.9543 -2.9353 -2.9353 -2.9202 -2.9202 -2.9019 -2.9019 -2.2373 -2.2373 -2.1915 -2.1915 -2.0995 -2.0995 -2.0841 -2.0841 -2.0547 -2.0547 -2.0247 -2.0247 -2.0165 -2.0165 -1.8926 -1.8926 -1.8555 -1.8555 5.2283 5.2283 7.3466 7.3466 7.3509 7.3509 8.6207 8.6207 10.0230 10.0230 10.1139 10.1139 11.0586 11.0586 14.0611 14.0611 14.0627 14.0627 14.2594 14.2594 14.8564 14.8564 k = 0.3607 0.3607 0.3607 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6740 -16.6740 -16.1699 -16.1699 -16.1693 -16.1693 -3.0060 -3.0060 -3.0047 -3.0047 -2.9547 -2.9547 -2.9379 -2.9379 -2.9201 -2.9201 -2.9033 -2.9033 -2.2399 -2.2399 -2.1949 -2.1949 -2.0964 -2.0964 -2.0817 -2.0817 -2.0563 -2.0563 -2.0278 -2.0278 -2.0130 -2.0130 -1.8871 -1.8871 -1.8539 -1.8539 5.3543 5.3543 7.3413 7.3413 7.3444 7.3444 8.6211 8.6211 9.9424 9.9424 10.0340 10.0340 10.8916 10.8916 14.0663 14.0663 14.0672 14.0672 14.2463 14.2463 14.8649 14.8649 k = 0.3689 0.3689 0.3689 ( 3710 PWs) bands (ev): -37.6842 -37.6842 -16.6741 -16.6741 -16.1699 -16.1699 -16.1694 -16.1694 -3.0064 -3.0064 -3.0053 -3.0053 -2.9551 -2.9551 -2.9404 -2.9404 -2.9202 -2.9202 -2.9048 -2.9048 -2.2423 -2.2423 -2.1982 -2.1982 -2.0934 -2.0934 -2.0793 -2.0793 -2.0578 -2.0578 -2.0308 -2.0308 -2.0095 -2.0095 -1.8816 -1.8816 -1.8521 -1.8521 5.4821 5.4821 7.3378 7.3378 7.3397 7.3397 8.6224 8.6224 9.8647 9.8647 9.9570 9.9570 10.7274 10.7274 14.0703 14.0703 14.0706 14.0706 14.2276 14.2276 14.8733 14.8733 k = 0.3770 0.3770 0.3770 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6741 -16.6741 -16.1700 -16.1700 -16.1695 -16.1695 -3.0070 -3.0070 -3.0060 -3.0060 -2.9557 -2.9557 -2.9429 -2.9429 -2.9204 -2.9204 -2.9065 -2.9065 -2.2447 -2.2447 -2.2014 -2.2014 -2.0907 -2.0907 -2.0773 -2.0773 -2.0591 -2.0591 -2.0337 -2.0337 -2.0061 -2.0061 -1.8762 -1.8762 -1.8503 -1.8503 5.6114 5.6114 7.3358 7.3358 7.3365 7.3365 8.6242 8.6242 9.7900 9.7900 9.8829 9.8829 10.5663 10.5663 14.0731 14.0731 14.0732 14.0732 14.2024 14.2024 14.8816 14.8816 k = 0.3852 0.3852 0.3852 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6742 -16.6742 -16.1700 -16.1700 -16.1696 -16.1696 -3.0076 -3.0076 -3.0067 -3.0067 -2.9562 -2.9562 -2.9454 -2.9454 -2.9207 -2.9207 -2.9080 -2.9080 -2.2469 -2.2469 -2.2044 -2.2044 -2.0881 -2.0881 -2.0753 -2.0753 -2.0601 -2.0601 -2.0365 -2.0365 -2.0029 -2.0029 -1.8709 -1.8709 -1.8482 -1.8482 5.7422 5.7422 7.3347 7.3347 7.3353 7.3353 8.6257 8.6257 9.7187 9.7187 9.8120 9.8120 10.4090 10.4090 14.0748 14.0748 14.0752 14.0752 14.1699 14.1699 14.8898 14.8898 k = 0.3934 0.3934 0.3934 ( 3722 PWs) bands (ev): -37.6842 -37.6842 -16.6743 -16.6743 -16.1701 -16.1701 -16.1697 -16.1697 -3.0084 -3.0084 -3.0077 -3.0077 -2.9568 -2.9568 -2.9477 -2.9477 -2.9210 -2.9210 -2.9095 -2.9095 -2.2490 -2.2490 -2.2074 -2.2074 -2.0856 -2.0856 -2.0736 -2.0736 -2.0609 -2.0609 -2.0391 -2.0391 -1.9998 -1.9998 -1.8658 -1.8658 -1.8462 -1.8462 5.8742 5.8742 7.3341 7.3341 7.3359 7.3359 8.6261 8.6261 9.6509 9.6509 9.7442 9.7442 10.2562 10.2562 14.0756 14.0756 14.0766 14.0766 14.1301 14.1301 14.8978 14.8978 k = 0.4016 0.4016 0.4016 ( 3719 PWs) bands (ev): -37.6842 -37.6842 -16.6743 -16.6743 -16.1701 -16.1701 -16.1698 -16.1698 -3.0092 -3.0092 -3.0086 -3.0086 -2.9575 -2.9575 -2.9498 -2.9498 -2.9213 -2.9213 -2.9109 -2.9109 -2.2510 -2.2510 -2.2101 -2.2101 -2.0833 -2.0833 -2.0720 -2.0720 -2.0613 -2.0613 -2.0415 -2.0415 -1.9969 -1.9969 -1.8607 -1.8607 -1.8442 -1.8442 6.0074 6.0074 7.3347 7.3347 7.3378 7.3378 8.6244 8.6244 9.5868 9.5868 9.6797 9.6797 10.1089 10.1089 14.0732 14.0732 14.0774 14.0774 14.0858 14.0858 14.9056 14.9056 k = 0.4098 0.4098 0.4098 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6744 -16.6744 -16.1701 -16.1701 -16.1698 -16.1698 -3.0100 -3.0100 -3.0095 -3.0095 -2.9580 -2.9580 -2.9518 -2.9518 -2.9216 -2.9216 -2.9123 -2.9123 -2.2528 -2.2528 -2.2125 -2.2125 -2.0811 -2.0811 -2.0710 -2.0710 -2.0611 -2.0611 -2.0437 -2.0437 -1.9941 -1.9941 -1.8559 -1.8559 -1.8422 -1.8422 6.1415 6.1415 7.3363 7.3363 7.3405 7.3405 8.6192 8.6192 9.5266 9.5266 9.6184 9.6184 9.9688 9.9688 14.0278 14.0278 14.0777 14.0777 14.0778 14.0778 14.9132 14.9132 k = 0.4180 0.4180 0.4180 ( 3728 PWs) bands (ev): -37.6842 -37.6842 -16.6744 -16.6744 -16.1702 -16.1702 -16.1699 -16.1699 -3.0111 -3.0111 -3.0106 -3.0106 -2.9588 -2.9588 -2.9537 -2.9537 -2.9221 -2.9221 -2.9137 -2.9137 -2.2546 -2.2546 -2.2150 -2.2150 -2.0793 -2.0793 -2.0706 -2.0706 -2.0607 -2.0607 -2.0457 -2.0457 -1.9917 -1.9917 -1.8515 -1.8515 -1.8403 -1.8403 6.2761 6.2761 7.3385 7.3385 7.3440 7.3440 8.6088 8.6088 9.4705 9.4705 9.5600 9.5600 9.8378 9.8378 13.9699 13.9699 14.0774 14.0774 14.0777 14.0777 14.9204 14.9204 k = 0.4262 0.4262 0.4262 ( 3728 PWs) bands (ev): -37.6842 -37.6842 -16.6745 -16.6745 -16.1702 -16.1702 -16.1700 -16.1700 -3.0120 -3.0120 -3.0115 -3.0115 -2.9593 -2.9593 -2.9554 -2.9554 -2.9225 -2.9225 -2.9150 -2.9150 -2.2561 -2.2561 -2.2171 -2.2171 -2.0775 -2.0775 -2.0704 -2.0704 -2.0598 -2.0598 -2.0474 -2.0474 -1.9894 -1.9894 -1.8474 -1.8474 -1.8383 -1.8383 6.4110 6.4110 7.3414 7.3414 7.3480 7.3480 8.5910 8.5910 9.4188 9.4188 9.5036 9.5036 9.7191 9.7191 13.9092 13.9092 14.0771 14.0771 14.0775 14.0775 14.9272 14.9272 k = 0.4344 0.4344 0.4344 ( 3728 PWs) bands (ev): -37.6842 -37.6842 -16.6745 -16.6745 -16.1702 -16.1702 -16.1701 -16.1701 -3.0129 -3.0129 -3.0125 -3.0125 -2.9598 -2.9598 -2.9568 -2.9568 -2.9228 -2.9228 -2.9162 -2.9162 -2.2575 -2.2575 -2.2189 -2.2189 -2.0761 -2.0761 -2.0704 -2.0704 -2.0588 -2.0588 -2.0489 -2.0489 -1.9874 -1.9874 -1.8436 -1.8436 -1.8365 -1.8365 6.5456 6.5456 7.3446 7.3446 7.3524 7.3524 8.5634 8.5634 9.3716 9.3716 9.4482 9.4482 9.6163 9.6163 13.8483 13.8483 14.0767 14.0767 14.0770 14.0770 14.9335 14.9335 k = 0.4426 0.4426 0.4426 ( 3734 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1702 -16.1702 -16.1701 -16.1701 -3.0138 -3.0138 -3.0135 -3.0135 -2.9604 -2.9604 -2.9581 -2.9581 -2.9232 -2.9232 -2.9173 -2.9173 -2.2588 -2.2588 -2.2206 -2.2206 -2.0749 -2.0749 -2.0706 -2.0706 -2.0577 -2.0577 -2.0502 -2.0502 -1.9857 -1.9857 -1.8402 -1.8402 -1.8348 -1.8348 6.6793 6.6793 7.3481 7.3481 7.3569 7.3569 8.5238 8.5238 9.3293 9.3293 9.3925 9.3925 9.5335 9.5335 13.7894 13.7894 14.0762 14.0762 14.0765 14.0765 14.9392 14.9392 k = 0.4508 0.4508 0.4508 ( 3738 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1703 -16.1703 -16.1702 -16.1702 -3.0146 -3.0146 -3.0144 -3.0144 -2.9608 -2.9608 -2.9592 -2.9592 -2.9235 -2.9235 -2.9183 -2.9183 -2.2599 -2.2599 -2.2221 -2.2221 -2.0739 -2.0739 -2.0709 -2.0709 -2.0567 -2.0567 -2.0513 -2.0513 -1.9842 -1.9842 -1.8372 -1.8372 -1.8332 -1.8332 6.8113 6.8113 7.3516 7.3516 7.3613 7.3613 8.4708 8.4708 9.2921 9.2921 9.3379 9.3379 9.4714 9.4714 13.7344 13.7344 14.0757 14.0757 14.0760 14.0760 14.9443 14.9443 k = 0.4590 0.4590 0.4590 ( 3726 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1703 -16.1703 -16.1702 -16.1702 -3.0152 -3.0152 -3.0151 -3.0151 -2.9611 -2.9611 -2.9601 -2.9601 -2.9237 -2.9237 -2.9190 -2.9190 -2.2607 -2.2607 -2.2232 -2.2232 -2.0729 -2.0729 -2.0710 -2.0710 -2.0557 -2.0557 -2.0519 -2.0519 -1.9828 -1.9828 -1.8346 -1.8346 -1.8317 -1.8317 6.9400 6.9400 7.3550 7.3550 7.3655 7.3655 8.4046 8.4046 9.2602 9.2602 9.2889 9.2889 9.4262 9.4262 13.6852 13.6852 14.0752 14.0752 14.0754 14.0754 14.9487 14.9487 k = 0.4672 0.4672 0.4672 ( 3726 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1703 -16.1703 -16.1702 -16.1702 -3.0158 -3.0158 -3.0158 -3.0158 -2.9614 -2.9614 -2.9608 -2.9608 -2.9239 -2.9239 -2.9197 -2.9197 -2.2615 -2.2615 -2.2242 -2.2242 -2.0724 -2.0724 -2.0712 -2.0712 -2.0549 -2.0549 -2.0525 -2.0525 -1.9818 -1.9818 -1.8324 -1.8324 -1.8306 -1.8306 7.0631 7.0631 7.3580 7.3580 7.3693 7.3693 8.3284 8.3284 9.2337 9.2337 9.2493 9.2493 9.3933 9.3933 13.6431 13.6431 14.0748 14.0748 14.0749 14.0749 14.9524 14.9524 k = 0.4754 0.4754 0.4754 ( 3708 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1702 -16.1702 -16.1702 -16.1702 -3.0162 -3.0162 -3.0162 -3.0162 -2.9616 -2.9616 -2.9612 -2.9612 -2.9239 -2.9239 -2.9201 -2.9201 -2.2620 -2.2620 -2.2249 -2.2249 -2.0718 -2.0718 -2.0711 -2.0711 -2.0542 -2.0542 -2.0528 -2.0528 -1.9807 -1.9807 -1.8306 -1.8306 -1.8294 -1.8294 7.1768 7.1768 7.3607 7.3607 7.3724 7.3724 8.2478 8.2478 9.2129 9.2129 9.2201 9.2201 9.3695 9.3695 13.6093 13.6093 14.0745 14.0745 14.0745 14.0745 14.9553 14.9553 k = 0.4836 0.4836 0.4836 ( 3690 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1702 -16.1702 -16.1701 -16.1701 -3.0165 -3.0165 -3.0164 -3.0164 -2.9616 -2.9616 -2.9615 -2.9615 -2.9240 -2.9240 -2.9204 -2.9204 -2.2623 -2.2623 -2.2253 -2.2253 -2.0715 -2.0715 -2.0711 -2.0711 -2.0535 -2.0535 -2.0529 -2.0529 -1.9800 -1.9800 -1.8292 -1.8292 -1.8285 -1.8285 7.2738 7.2738 7.3631 7.3631 7.3748 7.3748 8.1720 8.1720 9.1980 9.1980 9.2006 9.2006 9.3534 9.3534 13.5845 13.5845 14.0742 14.0742 14.0743 14.0743 14.9574 14.9574 k = 0.4918 0.4918 0.4918 ( 3648 PWs) bands (ev): -37.6841 -37.6841 -16.6744 -16.6744 -16.1701 -16.1701 -16.1701 -16.1701 -3.0164 -3.0164 -3.0164 -3.0164 -2.9615 -2.9615 -2.9615 -2.9615 -2.9237 -2.9237 -2.9204 -2.9204 -2.2623 -2.2623 -2.2254 -2.2254 -2.0710 -2.0710 -2.0709 -2.0709 -2.0529 -2.0529 -2.0527 -2.0527 -1.9793 -1.9793 -1.8279 -1.8279 -1.8278 -1.8278 7.3405 7.3405 7.3671 7.3671 7.3762 7.3762 8.1149 8.1149 9.1890 9.1890 9.1895 9.1895 9.3440 9.3440 13.5694 13.5694 14.0741 14.0741 14.0741 14.0741 14.9587 14.9589 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -37.6841 -37.6841 -16.6744 -16.6744 -16.1701 -16.1701 -16.1701 -16.1701 -3.0165 -3.0165 -3.0165 -3.0165 -2.9615 -2.9615 -2.9615 -2.9615 -2.9237 -2.9237 -2.9205 -2.9205 -2.2623 -2.2623 -2.2255 -2.2255 -2.0709 -2.0709 -2.0709 -2.0709 -2.0528 -2.0528 -2.0528 -2.0528 -1.9791 -1.9791 -1.8276 -1.8276 -1.8276 -1.8276 7.3571 7.3571 7.3767 7.3767 7.3767 7.3767 8.0929 8.0929 9.1859 9.1859 9.1859 9.1859 9.3409 9.3409 13.5643 13.5643 14.0741 14.0741 14.0741 14.0741 14.9591 14.9591 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -37.6841 -37.6841 -16.6744 -16.6744 -16.1701 -16.1701 -16.1701 -16.1701 -3.0165 -3.0165 -3.0165 -3.0165 -2.9615 -2.9615 -2.9615 -2.9615 -2.9237 -2.9237 -2.9205 -2.9205 -2.2623 -2.2623 -2.2255 -2.2255 -2.0709 -2.0709 -2.0709 -2.0709 -2.0528 -2.0528 -2.0528 -2.0528 -1.9791 -1.9791 -1.8276 -1.8276 -1.8276 -1.8276 7.3571 7.3571 7.3767 7.3767 7.3767 7.3767 8.0929 8.0929 9.1859 9.1859 9.1859 9.1859 9.3409 9.3409 13.5643 13.5643 14.0741 14.0741 14.0741 14.0741 14.9591 14.9591 k = 0.4900 0.5000 0.4900 ( 3648 PWs) bands (ev): -37.6841 -37.6841 -16.6744 -16.6744 -16.1701 -16.1701 -16.1701 -16.1701 -3.0164 -3.0164 -3.0164 -3.0164 -2.9615 -2.9615 -2.9615 -2.9615 -2.9237 -2.9237 -2.9204 -2.9204 -2.2623 -2.2623 -2.2254 -2.2254 -2.0710 -2.0710 -2.0709 -2.0709 -2.0528 -2.0528 -2.0527 -2.0527 -1.9793 -1.9793 -1.8279 -1.8279 -1.8278 -1.8278 7.3419 7.3419 7.3660 7.3660 7.3760 7.3760 8.1148 8.1148 9.1876 9.1876 9.1908 9.1908 9.3440 9.3440 13.5694 13.5694 14.0739 14.0739 14.0744 14.0744 14.9588 14.9592 k = 0.4800 0.5000 0.4800 ( 3700 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1702 -16.1702 -16.1702 -16.1702 -3.0166 -3.0166 -3.0165 -3.0165 -2.9618 -2.9618 -2.9615 -2.9615 -2.9240 -2.9240 -2.9205 -2.9205 -2.2623 -2.2623 -2.2254 -2.2254 -2.0716 -2.0716 -2.0711 -2.0711 -2.0536 -2.0536 -2.0529 -2.0529 -1.9801 -1.9801 -1.8292 -1.8292 -1.8288 -1.8288 7.2805 7.2805 7.3535 7.3535 7.3775 7.3775 8.1725 8.1725 9.1926 9.1926 9.2051 9.2051 9.3538 9.3538 13.5843 13.5843 14.0733 14.0733 14.0752 14.0752 14.9575 14.9580 k = 0.4700 0.5000 0.4700 ( 3708 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1702 -16.1702 -16.1702 -16.1702 -3.0163 -3.0163 -3.0161 -3.0161 -2.9617 -2.9617 -2.9611 -2.9611 -2.9240 -2.9240 -2.9202 -2.9202 -2.2619 -2.2619 -2.2249 -2.2249 -2.0719 -2.0719 -2.0711 -2.0711 -2.0541 -2.0541 -2.0529 -2.0529 -1.9808 -1.9808 -1.8305 -1.8305 -1.8295 -1.8295 7.1908 7.1908 7.3345 7.3345 7.3831 7.3831 8.2510 8.2510 9.2009 9.2009 9.2280 9.2280 9.3717 9.3717 13.6088 13.6088 14.0724 14.0724 14.0768 14.0768 14.9552 14.9552 k = 0.4600 0.5000 0.4600 ( 3716 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1703 -16.1703 -16.1702 -16.1702 -3.0159 -3.0159 -3.0155 -3.0155 -2.9615 -2.9615 -2.9605 -2.9605 -2.9239 -2.9239 -2.9197 -2.9197 -2.2614 -2.2614 -2.2241 -2.2241 -2.0723 -2.0723 -2.0711 -2.0711 -2.0547 -2.0547 -2.0527 -2.0527 -1.9817 -1.9817 -1.8321 -1.8321 -1.8307 -1.8307 7.0860 7.0860 7.3078 7.3078 7.3919 7.3919 8.3379 8.3379 9.2123 9.2123 9.2574 9.2574 9.4010 9.4010 13.6421 13.6421 14.0715 14.0715 14.0790 14.0790 14.9514 14.9514 k = 0.4500 0.5000 0.4500 ( 3720 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1703 -16.1703 -16.1701 -16.1701 -3.0153 -3.0153 -3.0148 -3.0148 -2.9613 -2.9613 -2.9598 -2.9598 -2.9237 -2.9237 -2.9191 -2.9191 -2.2607 -2.2607 -2.2232 -2.2232 -2.0728 -2.0728 -2.0710 -2.0710 -2.0553 -2.0553 -2.0523 -2.0523 -1.9828 -1.9828 -1.8342 -1.8342 -1.8319 -1.8319 6.9732 6.9732 7.2741 7.2741 7.4036 7.4036 8.4255 8.4255 9.2269 9.2269 9.2899 9.2899 9.4462 9.4462 13.6831 13.6831 14.0709 14.0709 14.0818 14.0818 14.9458 14.9458 k = 0.4400 0.5000 0.4400 ( 3720 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1703 -16.1703 -16.1701 -16.1701 -3.0147 -3.0147 -3.0140 -3.0140 -2.9610 -2.9610 -2.9588 -2.9588 -2.9234 -2.9234 -2.9183 -2.9183 -2.2598 -2.2598 -2.2220 -2.2220 -2.0735 -2.0735 -2.0709 -2.0709 -2.0560 -2.0560 -2.0518 -2.0518 -1.9840 -1.9840 -1.8367 -1.8367 -1.8334 -1.8334 6.8564 6.8564 7.2337 7.2337 7.4181 7.4181 8.5093 8.5093 9.2443 9.2443 9.3224 9.3224 9.5110 9.5110 13.7302 13.7302 14.0713 14.0713 14.0852 14.0852 14.9384 14.9384 k = 0.4300 0.5000 0.4300 ( 3718 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1703 -16.1703 -16.1700 -16.1700 -3.0139 -3.0139 -3.0131 -3.0131 -2.9606 -2.9606 -2.9577 -2.9577 -2.9231 -2.9231 -2.9173 -2.9173 -2.2587 -2.2587 -2.2205 -2.2205 -2.0744 -2.0744 -2.0707 -2.0707 -2.0567 -2.0567 -2.0512 -2.0512 -1.9855 -1.9855 -1.8395 -1.8395 -1.8352 -1.8352 6.7378 6.7378 7.1873 7.1873 7.4354 7.4354 8.5868 8.5868 9.2646 9.2646 9.3542 9.3542 9.5959 9.5959 13.7809 13.7809 14.0738 14.0738 14.0891 14.0891 14.9293 14.9293 k = 0.4200 0.5000 0.4200 ( 3720 PWs) bands (ev): -37.6842 -37.6842 -16.6745 -16.6745 -16.1703 -16.1703 -16.1699 -16.1699 -3.0130 -3.0130 -3.0120 -3.0120 -2.9603 -2.9603 -2.9563 -2.9563 -2.9228 -2.9228 -2.9162 -2.9162 -2.2574 -2.2574 -2.2189 -2.2189 -2.0756 -2.0756 -2.0707 -2.0707 -2.0573 -2.0573 -2.0505 -2.0505 -1.9873 -1.9873 -1.8427 -1.8427 -1.8373 -1.8373 6.6188 6.6188 7.1353 7.1353 7.4553 7.4553 8.6577 8.6577 9.2874 9.2874 9.3865 9.3865 9.6989 9.6989 13.8316 13.8316 14.0806 14.0806 14.0935 14.0935 14.9184 14.9184 k = 0.4100 0.5000 0.4100 ( 3720 PWs) bands (ev): -37.6842 -37.6842 -16.6745 -16.6745 -16.1703 -16.1703 -16.1698 -16.1698 -3.0120 -3.0120 -3.0110 -3.0110 -2.9599 -2.9599 -2.9549 -2.9549 -2.9224 -2.9224 -2.9150 -2.9150 -2.2560 -2.2560 -2.2170 -2.2170 -2.0771 -2.0771 -2.0706 -2.0706 -2.0578 -2.0578 -2.0495 -2.0495 -1.9892 -1.9892 -1.8463 -1.8463 -1.8395 -1.8395 6.5004 6.5004 7.0784 7.0784 7.4779 7.4779 8.7224 8.7224 9.3127 9.3127 9.4206 9.4206 9.8173 9.8173 13.8765 13.8765 14.0946 14.0946 14.0989 14.0989 14.9057 14.9057 k = 0.4000 0.5000 0.4000 ( 3712 PWs) bands (ev): -37.6842 -37.6842 -16.6744 -16.6744 -16.1703 -16.1703 -16.1697 -16.1697 -3.0109 -3.0109 -3.0098 -3.0098 -2.9593 -2.9593 -2.9532 -2.9532 -2.9220 -2.9220 -2.9136 -2.9136 -2.2544 -2.2544 -2.2149 -2.2149 -2.0788 -2.0788 -2.0705 -2.0705 -2.0583 -2.0583 -2.0483 -2.0483 -1.9913 -1.9913 -1.8500 -1.8500 -1.8418 -1.8418 6.3833 6.3833 7.0171 7.0171 7.5033 7.5033 8.7821 8.7821 9.3404 9.3404 9.4573 9.4573 9.9483 9.9483 13.9098 13.9098 14.1030 14.1030 14.1219 14.1219 14.8913 14.8913 k = 0.3900 0.5000 0.3900 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6744 -16.6744 -16.1703 -16.1703 -16.1696 -16.1696 -3.0098 -3.0098 -3.0088 -3.0088 -2.9588 -2.9588 -2.9515 -2.9515 -2.9216 -2.9216 -2.9123 -2.9123 -2.2528 -2.2528 -2.2126 -2.2126 -2.0810 -2.0810 -2.0705 -2.0705 -2.0587 -2.0587 -2.0470 -2.0470 -1.9937 -1.9937 -1.8542 -1.8542 -1.8444 -1.8444 6.2678 6.2678 6.9520 6.9520 7.5315 7.5315 8.8381 8.8381 9.3702 9.3702 9.4972 9.4972 10.0894 10.0894 13.9287 13.9287 14.1085 14.1085 14.1594 14.1594 14.8751 14.8751 k = 0.3800 0.5000 0.3800 ( 3720 PWs) bands (ev): -37.6842 -37.6842 -16.6743 -16.6743 -16.1704 -16.1704 -16.1695 -16.1695 -3.0086 -3.0086 -3.0078 -3.0078 -2.9583 -2.9583 -2.9496 -2.9496 -2.9213 -2.9213 -2.9109 -2.9109 -2.2510 -2.2510 -2.2102 -2.2102 -2.0834 -2.0834 -2.0706 -2.0706 -2.0589 -2.0589 -2.0455 -2.0455 -1.9963 -1.9963 -1.8587 -1.8587 -1.8472 -1.8472 6.1543 6.1543 6.8836 6.8836 7.5624 7.5624 8.8917 8.8917 9.4023 9.4023 9.5404 9.5404 10.2384 10.2384 13.9360 13.9360 14.1141 14.1141 14.2029 14.2029 14.8571 14.8571 k = 0.3700 0.5000 0.3700 ( 3720 PWs) bands (ev): -37.6842 -37.6842 -16.6743 -16.6743 -16.1704 -16.1704 -16.1694 -16.1694 -3.0073 -3.0073 -3.0069 -3.0069 -2.9577 -2.9577 -2.9476 -2.9476 -2.9209 -2.9209 -2.9094 -2.9094 -2.2491 -2.2491 -2.2075 -2.2075 -2.0861 -2.0861 -2.0707 -2.0707 -2.0591 -2.0591 -2.0437 -2.0437 -1.9991 -1.9991 -1.8632 -1.8632 -1.8500 -1.8500 6.0430 6.0430 6.8125 6.8125 7.5961 7.5961 8.9439 8.9439 9.4365 9.4365 9.5874 9.5874 10.3938 10.3938 13.9358 13.9358 14.1197 14.1197 14.2456 14.2456 14.8372 14.8372 k = 0.3600 0.5000 0.3600 ( 3712 PWs) bands (ev): -37.6842 -37.6842 -16.6742 -16.6742 -16.1704 -16.1704 -16.1693 -16.1693 -3.0060 -3.0060 -3.0058 -3.0058 -2.9570 -2.9570 -2.9456 -2.9456 -2.9204 -2.9204 -2.9079 -2.9079 -2.2470 -2.2470 -2.2045 -2.2045 -2.0889 -2.0889 -2.0707 -2.0707 -2.0591 -2.0591 -2.0417 -2.0417 -2.0019 -2.0019 -1.8680 -1.8680 -1.8528 -1.8528 5.9342 5.9342 6.7391 6.7391 7.6326 7.6326 8.9956 8.9956 9.4727 9.4727 9.6381 9.6381 10.5540 10.5540 13.9310 13.9310 14.1254 14.1254 14.2828 14.2828 14.8153 14.8153 k = 0.3500 0.5000 0.3500 ( 3712 PWs) bands (ev): -37.6842 -37.6842 -16.6742 -16.6742 -16.1704 -16.1704 -16.1691 -16.1691 -3.0052 -3.0052 -3.0044 -3.0044 -2.9563 -2.9563 -2.9435 -2.9435 -2.9201 -2.9201 -2.9063 -2.9063 -2.2449 -2.2449 -2.2015 -2.2015 -2.0920 -2.0920 -2.0708 -2.0708 -2.0590 -2.0590 -2.0397 -2.0397 -2.0049 -2.0049 -1.8729 -1.8729 -1.8558 -1.8558 5.8280 5.8280 6.6640 6.6640 7.6720 7.6720 9.0472 9.0472 9.5111 9.5111 9.6926 9.6926 10.7178 10.7178 13.9231 13.9231 14.1308 14.1308 14.3122 14.3122 14.7912 14.7912 k = 0.3400 0.5000 0.3400 ( 3708 PWs) bands (ev): -37.6842 -37.6842 -16.6741 -16.6741 -16.1704 -16.1704 -16.1690 -16.1690 -3.0045 -3.0045 -3.0030 -3.0030 -2.9556 -2.9556 -2.9413 -2.9413 -2.9197 -2.9197 -2.9047 -2.9047 -2.2427 -2.2427 -2.1983 -2.1983 -2.0953 -2.0953 -2.0710 -2.0710 -2.0588 -2.0588 -2.0373 -2.0373 -2.0079 -2.0079 -1.8779 -1.8779 -1.8588 -1.8588 5.7244 5.7244 6.5876 6.5876 7.7142 7.7142 9.0992 9.0992 9.5515 9.5515 9.7509 9.7509 10.8843 10.8843 13.9132 13.9132 14.1361 14.1361 14.3334 14.3334 14.7650 14.7650 k = 0.3300 0.5000 0.3300 ( 3706 PWs) bands (ev): -37.6842 -37.6842 -16.6740 -16.6740 -16.1704 -16.1704 -16.1688 -16.1688 -3.0039 -3.0039 -3.0015 -3.0015 -2.9549 -2.9549 -2.9392 -2.9392 -2.9194 -2.9194 -2.9032 -2.9032 -2.2404 -2.2404 -2.1949 -2.1949 -2.0987 -2.0987 -2.0711 -2.0711 -2.0586 -2.0586 -2.0350 -2.0350 -2.0110 -2.0110 -1.8830 -1.8830 -1.8619 -1.8619 5.6237 5.6237 6.5102 6.5102 7.7592 7.7592 9.1520 9.1520 9.5939 9.5939 9.8131 9.8131 11.0526 11.0526 13.9017 13.9017 14.1409 14.1409 14.3469 14.3469 14.7363 14.7363 k = 0.3200 0.5000 0.3200 ( 3718 PWs) bands (ev): -37.6842 -37.6842 -16.6740 -16.6740 -16.1705 -16.1705 -16.1687 -16.1687 -3.0037 -3.0037 -3.0000 -3.0000 -2.9542 -2.9542 -2.9373 -2.9373 -2.9192 -2.9192 -2.9017 -2.9017 -2.2382 -2.2382 -2.1915 -2.1915 -2.1023 -2.1023 -2.0715 -2.0715 -2.0584 -2.0584 -2.0328 -2.0328 -2.0138 -2.0138 -1.8884 -1.8884 -1.8649 -1.8649 5.5258 5.5258 6.4323 6.4323 7.8071 7.8071 9.2058 9.2058 9.6384 9.6384 9.8790 9.8790 11.2218 11.2218 13.8890 13.8890 14.1451 14.1451 14.3538 14.3538 14.7049 14.7049 k = 0.3100 0.5000 0.3100 ( 3730 PWs) bands (ev): -37.6843 -37.6843 -16.6740 -16.6740 -16.1705 -16.1705 -16.1685 -16.1685 -3.0034 -3.0034 -2.9986 -2.9986 -2.9537 -2.9537 -2.9354 -2.9354 -2.9191 -2.9191 -2.9003 -2.9003 -2.2360 -2.2360 -2.1881 -2.1881 -2.1059 -2.1059 -2.0718 -2.0718 -2.0582 -2.0582 -2.0312 -2.0312 -2.0159 -2.0159 -1.8937 -1.8937 -1.8680 -1.8680 5.4308 5.4308 6.3542 6.3542 7.8581 7.8581 9.2606 9.2606 9.6848 9.6848 9.9488 9.9488 11.3911 11.3911 13.8753 13.8753 14.1485 14.1485 14.3554 14.3554 14.6706 14.6706 k = 0.3000 0.5000 0.3000 ( 3734 PWs) bands (ev): -37.6843 -37.6843 -16.6739 -16.6739 -16.1705 -16.1705 -16.1684 -16.1684 -3.0033 -3.0033 -2.9971 -2.9971 -2.9529 -2.9529 -2.9336 -2.9336 -2.9189 -2.9189 -2.8989 -2.8989 -2.2336 -2.2336 -2.1845 -2.1845 -2.1095 -2.1095 -2.0721 -2.0721 -2.0578 -2.0578 -2.0308 -2.0308 -2.0164 -2.0164 -1.8990 -1.8990 -1.8710 -1.8710 5.3388 5.3388 6.2762 6.2762 7.9119 7.9119 9.3167 9.3167 9.7332 9.7332 10.0223 10.0223 11.5598 11.5598 13.8608 13.8608 14.1511 14.1511 14.3528 14.3528 14.6332 14.6332 k = 0.2900 0.5000 0.2900 ( 3726 PWs) bands (ev): -37.6843 -37.6843 -16.6738 -16.6738 -16.1705 -16.1705 -16.1681 -16.1681 -3.0033 -3.0033 -2.9955 -2.9955 -2.9521 -2.9521 -2.9319 -2.9319 -2.9187 -2.9187 -2.8974 -2.8974 -2.2313 -2.2313 -2.1810 -2.1810 -2.1128 -2.1128 -2.0724 -2.0724 -2.0573 -2.0573 -2.0321 -2.0321 -2.0148 -2.0148 -1.9042 -1.9042 -1.8738 -1.8738 5.2497 5.2497 6.1987 6.1987 7.9688 7.9688 9.3740 9.3740 9.7836 9.7836 10.0996 10.0996 11.7273 11.7273 13.8456 13.8456 14.1525 14.1525 14.3469 14.3469 14.5922 14.5922 k = 0.2800 0.5000 0.2800 ( 3728 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1705 -16.1705 -16.1680 -16.1680 -3.0034 -3.0034 -2.9940 -2.9940 -2.9514 -2.9514 -2.9304 -2.9304 -2.9185 -2.9185 -2.8961 -2.8961 -2.2290 -2.2290 -2.1775 -2.1775 -2.1161 -2.1161 -2.0727 -2.0727 -2.0568 -2.0568 -2.0347 -2.0347 -2.0119 -2.0119 -1.9096 -1.9096 -1.8766 -1.8766 5.1638 5.1638 6.1219 6.1219 8.0287 8.0287 9.4325 9.4325 9.8358 9.8358 10.1807 10.1807 11.8927 11.8927 13.8298 13.8298 14.1526 14.1526 14.3385 14.3385 14.5471 14.5471 k = 0.2700 0.5000 0.2700 ( 3728 PWs) bands (ev): -37.6843 -37.6843 -16.6736 -16.6736 -16.1705 -16.1705 -16.1678 -16.1678 -3.0038 -3.0038 -2.9925 -2.9925 -2.9506 -2.9506 -2.9291 -2.9291 -2.9184 -2.9184 -2.8950 -2.8950 -2.2268 -2.2268 -2.1742 -2.1742 -2.1192 -2.1192 -2.0731 -2.0731 -2.0562 -2.0562 -2.0378 -2.0378 -2.0081 -2.0081 -1.9149 -1.9149 -1.8792 -1.8792 5.0809 5.0809 6.0461 6.0461 8.0916 8.0916 9.4921 9.4921 9.8899 9.8899 10.2655 10.2655 12.0553 12.0553 13.8136 13.8136 14.1511 14.1511 14.3280 14.3280 14.4977 14.4977 k = 0.2600 0.5000 0.2600 ( 3724 PWs) bands (ev): -37.6843 -37.6843 -16.6735 -16.6735 -16.1705 -16.1705 -16.1675 -16.1675 -3.0043 -3.0043 -2.9909 -2.9909 -2.9497 -2.9497 -2.9281 -2.9281 -2.9181 -2.9181 -2.8940 -2.8940 -2.2246 -2.2246 -2.1711 -2.1711 -2.1219 -2.1219 -2.0735 -2.0735 -2.0555 -2.0555 -2.0409 -2.0409 -2.0037 -2.0037 -1.9201 -1.9201 -1.8816 -1.8816 5.0010 5.0010 5.9715 5.9715 8.1575 8.1575 9.5528 9.5528 9.9457 9.9457 10.3539 10.3539 12.2145 12.2145 13.7970 13.7970 14.1478 14.1478 14.3161 14.3161 14.4432 14.4432 k = 0.2500 0.5000 0.2500 ( 3738 PWs) bands (ev): -37.6843 -37.6843 -16.6735 -16.6735 -16.1706 -16.1706 -16.1674 -16.1674 -3.0052 -3.0052 -2.9895 -2.9895 -2.9490 -2.9490 -2.9275 -2.9275 -2.9179 -2.9179 -2.8933 -2.8933 -2.2227 -2.2227 -2.1684 -2.1684 -2.1245 -2.1245 -2.0740 -2.0740 -2.0551 -2.0551 -2.0442 -2.0442 -1.9991 -1.9991 -1.9254 -1.9254 -1.8839 -1.8839 4.9243 4.9243 5.8983 5.8983 8.2266 8.2266 9.6145 9.6145 10.0032 10.0032 10.4460 10.4460 12.3694 12.3694 13.7802 13.7802 14.1426 14.1426 14.3029 14.3029 14.3833 14.3833 k = 0.2400 0.5000 0.2400 ( 3734 PWs) bands (ev): -37.6844 -37.6844 -16.6734 -16.6734 -16.1705 -16.1705 -16.1671 -16.1671 -3.0060 -3.0060 -2.9880 -2.9880 -2.9482 -2.9482 -2.9271 -2.9271 -2.9175 -2.9175 -2.8925 -2.8925 -2.2208 -2.2208 -2.1661 -2.1661 -2.1264 -2.1264 -2.0745 -2.0745 -2.0548 -2.0548 -2.0468 -2.0468 -1.9941 -1.9941 -1.9306 -1.9306 -1.8859 -1.8859 4.8506 4.8506 5.8267 5.8267 8.2988 8.2988 9.6771 9.6771 10.0623 10.0623 10.5417 10.5417 12.5195 12.5195 13.7631 13.7631 14.1351 14.1351 14.2881 14.2881 14.3178 14.3178 k = 0.2300 0.5000 0.2300 ( 3738 PWs) bands (ev): -37.6844 -37.6844 -16.6733 -16.6733 -16.1706 -16.1706 -16.1669 -16.1669 -3.0071 -3.0071 -2.9866 -2.9866 -2.9474 -2.9474 -2.9270 -2.9270 -2.9171 -2.9171 -2.8919 -2.8919 -2.2191 -2.2191 -2.1644 -2.1644 -2.1277 -2.1277 -2.0750 -2.0750 -2.0554 -2.0554 -2.0486 -2.0486 -1.9889 -1.9889 -1.9357 -1.9357 -1.8877 -1.8877 4.7800 4.7800 5.7569 5.7569 8.3741 8.3741 9.7405 9.7405 10.1228 10.1228 10.6410 10.6410 12.6641 12.6641 13.7460 13.7460 14.1251 14.1251 14.2417 14.2417 14.2764 14.2764 k = 0.2200 0.5000 0.2200 ( 3734 PWs) bands (ev): -37.6844 -37.6844 -16.6732 -16.6732 -16.1705 -16.1705 -16.1667 -16.1667 -3.0083 -3.0083 -2.9851 -2.9851 -2.9466 -2.9466 -2.9271 -2.9271 -2.9165 -2.9165 -2.8914 -2.8914 -2.2174 -2.2174 -2.1632 -2.1632 -2.1283 -2.1283 -2.0756 -2.0756 -2.0571 -2.0571 -2.0489 -2.0489 -1.9836 -1.9836 -1.9407 -1.9407 -1.8892 -1.8892 4.7126 4.7126 5.6891 5.6891 8.4526 8.4526 9.8044 9.8044 10.1848 10.1848 10.7437 10.7437 12.8028 12.8028 13.7290 13.7290 14.1124 14.1124 14.1618 14.1618 14.2607 14.2607 k = 0.2100 0.5000 0.2100 ( 3734 PWs) bands (ev): -37.6844 -37.6844 -16.6731 -16.6731 -16.1705 -16.1705 -16.1665 -16.1665 -3.0097 -3.0097 -2.9837 -2.9837 -2.9457 -2.9457 -2.9274 -2.9274 -2.9160 -2.9160 -2.8912 -2.8912 -2.2161 -2.2161 -2.1626 -2.1626 -2.1282 -2.1282 -2.0762 -2.0762 -2.0595 -2.0595 -2.0484 -2.0484 -1.9783 -1.9783 -1.9454 -1.9454 -1.8904 -1.8904 4.6482 4.6482 5.6234 5.6234 8.5342 8.5342 9.8687 9.8687 10.2481 10.2481 10.8499 10.8499 12.9351 12.9351 13.7120 13.7120 14.0722 14.0722 14.0979 14.0979 14.2454 14.2454 k = 0.2000 0.5000 0.2000 ( 3740 PWs) bands (ev): -37.6844 -37.6844 -16.6730 -16.6730 -16.1705 -16.1705 -16.1663 -16.1663 -3.0114 -3.0114 -2.9824 -2.9824 -2.9450 -2.9450 -2.9279 -2.9279 -2.9155 -2.9155 -2.8912 -2.8912 -2.2149 -2.2149 -2.1625 -2.1625 -2.1277 -2.1277 -2.0768 -2.0768 -2.0621 -2.0621 -2.0476 -2.0476 -1.9732 -1.9732 -1.9500 -1.9500 -1.8913 -1.8913 4.5869 4.5869 5.5599 5.5599 8.6190 8.6190 9.9332 9.9332 10.3124 10.3124 10.9595 10.9595 13.0607 13.0607 13.6953 13.6953 13.9754 13.9754 14.0792 14.0792 14.2299 14.2299 k = 0.1900 0.5000 0.1900 ( 3748 PWs) bands (ev): -37.6844 -37.6844 -16.6729 -16.6729 -16.1706 -16.1706 -16.1661 -16.1661 -3.0131 -3.0131 -2.9811 -2.9811 -2.9442 -2.9442 -2.9285 -2.9285 -2.9151 -2.9151 -2.8913 -2.8913 -2.2140 -2.2140 -2.1628 -2.1628 -2.1266 -2.1266 -2.0775 -2.0775 -2.0646 -2.0646 -2.0467 -2.0467 -1.9689 -1.9689 -1.9538 -1.9538 -1.8919 -1.8919 4.5287 4.5287 5.4988 5.4988 8.7071 8.7071 9.9978 9.9978 10.3777 10.3777 11.0723 11.0723 13.1795 13.1795 13.6789 13.6789 13.8697 13.8697 14.0577 14.0577 14.2144 14.2144 k = 0.1800 0.5000 0.1800 ( 3740 PWs) bands (ev): -37.6844 -37.6844 -16.6728 -16.6728 -16.1705 -16.1705 -16.1658 -16.1658 -3.0150 -3.0150 -2.9798 -2.9798 -2.9433 -2.9433 -2.9291 -2.9291 -2.9147 -2.9147 -2.8914 -2.8914 -2.2132 -2.2132 -2.1632 -2.1632 -2.1250 -2.1250 -2.0782 -2.0782 -2.0668 -2.0668 -2.0456 -2.0456 -1.9664 -1.9664 -1.9553 -1.9553 -1.8919 -1.8919 4.4736 4.4736 5.4402 5.4402 8.7983 8.7983 10.0620 10.0620 10.4438 10.4438 11.1883 11.1883 13.2910 13.2910 13.6629 13.6629 13.7561 13.7561 14.0333 14.0333 14.1987 14.1987 k = 0.1700 0.5000 0.1700 ( 3746 PWs) bands (ev): -37.6845 -37.6845 -16.6727 -16.6727 -16.1705 -16.1705 -16.1656 -16.1656 -3.0171 -3.0171 -2.9786 -2.9786 -2.9426 -2.9426 -2.9297 -2.9297 -2.9144 -2.9144 -2.8918 -2.8918 -2.2128 -2.2128 -2.1637 -2.1637 -2.1233 -2.1233 -2.0791 -2.0791 -2.0690 -2.0690 -2.0447 -2.0447 -1.9679 -1.9679 -1.9533 -1.9533 -1.8913 -1.8913 4.4215 4.4215 5.3843 5.3843 8.8928 8.8928 10.1258 10.1258 10.5105 10.5105 11.3074 11.3074 13.3944 13.3944 13.6293 13.6293 13.6538 13.6538 14.0059 14.0059 14.1830 14.1830 k = 0.1600 0.5000 0.1600 ( 3746 PWs) bands (ev): -37.6845 -37.6845 -16.6726 -16.6726 -16.1705 -16.1705 -16.1654 -16.1654 -3.0192 -3.0192 -2.9775 -2.9775 -2.9418 -2.9418 -2.9303 -2.9303 -2.9142 -2.9142 -2.8924 -2.8924 -2.2125 -2.2125 -2.1641 -2.1641 -2.1214 -2.1214 -2.0799 -2.0799 -2.0710 -2.0710 -2.0439 -2.0439 -1.9712 -1.9712 -1.9497 -1.9497 -1.8902 -1.8902 4.3725 4.3725 5.3310 5.3310 8.9904 8.9904 10.1888 10.1888 10.5776 10.5776 11.4294 11.4294 13.4703 13.4703 13.5229 13.5229 13.6386 13.6386 13.9758 13.9758 14.1670 14.1670 k = 0.1500 0.5000 0.1500 ( 3734 PWs) bands (ev): -37.6845 -37.6845 -16.6725 -16.6725 -16.1705 -16.1705 -16.1652 -16.1652 -3.0214 -3.0214 -2.9764 -2.9764 -2.9410 -2.9410 -2.9307 -2.9307 -2.9139 -2.9139 -2.8929 -2.8929 -2.2124 -2.2124 -2.1644 -2.1644 -2.1192 -2.1192 -2.0807 -2.0807 -2.0726 -2.0726 -2.0432 -2.0432 -1.9746 -1.9746 -1.9458 -1.9458 -1.8885 -1.8885 4.3266 4.3266 5.2806 5.2806 9.0913 9.0913 10.2507 10.2507 10.6447 10.6447 11.5541 11.5541 13.3598 13.3598 13.5720 13.5720 13.6419 13.6419 13.9437 13.9437 14.1508 14.1508 k = 0.1400 0.5000 0.1400 ( 3734 PWs) bands (ev): -37.6845 -37.6845 -16.6724 -16.6724 -16.1705 -16.1705 -16.1650 -16.1650 -3.0236 -3.0236 -2.9754 -2.9754 -2.9404 -2.9404 -2.9311 -2.9311 -2.9138 -2.9138 -2.8937 -2.8937 -2.2126 -2.2126 -2.1646 -2.1646 -2.1171 -2.1171 -2.0816 -2.0816 -2.0742 -2.0742 -2.0428 -2.0428 -1.9781 -1.9781 -1.9424 -1.9424 -1.8862 -1.8862 4.2836 4.2836 5.2330 5.2330 9.1953 9.1953 10.3112 10.3112 10.7117 10.7117 11.6815 11.6815 13.2184 13.2184 13.5878 13.5878 13.6969 13.6969 13.9110 13.9110 14.1341 14.1341 k = 0.1300 0.5000 0.1300 ( 3738 PWs) bands (ev): -37.6845 -37.6845 -16.6723 -16.6723 -16.1705 -16.1705 -16.1648 -16.1648 -3.0260 -3.0260 -2.9745 -2.9745 -2.9400 -2.9400 -2.9314 -2.9314 -2.9137 -2.9137 -2.8947 -2.8947 -2.2129 -2.2129 -2.1647 -2.1647 -2.1149 -2.1149 -2.0826 -2.0826 -2.0757 -2.0757 -2.0427 -2.0427 -1.9814 -1.9814 -1.9395 -1.9395 -1.8834 -1.8834 4.2437 4.2437 5.1884 5.1884 9.3025 9.3025 10.3699 10.3699 10.7781 10.7781 11.8111 11.8111 13.0711 13.0711 13.5798 13.5798 13.7647 13.7647 13.8845 13.8845 14.1169 14.1169 k = 0.1200 0.5000 0.1200 ( 3738 PWs) bands (ev): -37.6845 -37.6845 -16.6722 -16.6722 -16.1705 -16.1705 -16.1646 -16.1646 -3.0283 -3.0283 -2.9736 -2.9736 -2.9396 -2.9396 -2.9313 -2.9313 -2.9137 -2.9137 -2.8957 -2.8957 -2.2133 -2.2133 -2.1646 -2.1646 -2.1126 -2.1126 -2.0836 -2.0836 -2.0770 -2.0770 -2.0428 -2.0428 -1.9844 -1.9844 -1.9371 -1.9371 -1.8802 -1.8802 4.2069 4.2069 5.1468 5.1468 9.4128 9.4128 10.4266 10.4266 10.8436 10.8436 11.9429 11.9429 12.9197 12.9197 13.5688 13.5688 13.7909 13.7909 13.8977 13.8977 14.0988 14.0988 k = 0.1100 0.5000 0.1100 ( 3730 PWs) bands (ev): -37.6845 -37.6845 -16.6722 -16.6722 -16.1704 -16.1704 -16.1644 -16.1644 -3.0304 -3.0304 -2.9728 -2.9728 -2.9394 -2.9394 -2.9310 -2.9310 -2.9136 -2.9136 -2.8968 -2.8968 -2.2138 -2.2138 -2.1642 -2.1642 -2.1101 -2.1101 -2.0845 -2.0845 -2.0780 -2.0780 -2.0432 -2.0432 -1.9870 -1.9870 -1.9349 -1.9349 -1.8766 -1.8766 4.1730 4.1730 5.1084 5.1084 9.5261 9.5261 10.4809 10.4809 10.9077 10.9077 12.0763 12.0763 12.7653 12.7653 13.5575 13.5575 13.7655 13.7655 13.9589 13.9589 14.0799 14.0799 k = 0.1000 0.5000 0.1000 ( 3726 PWs) bands (ev): -37.6845 -37.6845 -16.6721 -16.6721 -16.1704 -16.1704 -16.1643 -16.1643 -3.0327 -3.0327 -2.9720 -2.9720 -2.9394 -2.9394 -2.9306 -2.9306 -2.9136 -2.9136 -2.8980 -2.8980 -2.2144 -2.2144 -2.1639 -2.1639 -2.1077 -2.1077 -2.0855 -2.0855 -2.0790 -2.0790 -2.0440 -2.0440 -1.9893 -1.9893 -1.9332 -1.9332 -1.8728 -1.8728 4.1421 4.1421 5.0731 5.0731 9.6423 9.6423 10.5323 10.5323 10.9699 10.9699 12.2112 12.2112 12.6089 12.6089 13.5468 13.5468 13.7276 13.7276 14.0260 14.0260 14.0630 14.0630 k = 0.0900 0.5000 0.0900 ( 3722 PWs) bands (ev): -37.6845 -37.6845 -16.6720 -16.6720 -16.1704 -16.1704 -16.1641 -16.1641 -3.0348 -3.0348 -2.9714 -2.9714 -2.9395 -2.9395 -2.9299 -2.9299 -2.9136 -2.9136 -2.8992 -2.8992 -2.2150 -2.2150 -2.1635 -2.1635 -2.1052 -2.1052 -2.0863 -2.0863 -2.0799 -2.0799 -2.0451 -2.0451 -1.9912 -1.9912 -1.9319 -1.9319 -1.8690 -1.8690 4.1141 4.1141 5.0410 5.0410 9.7613 9.7613 10.5807 10.5807 11.0297 11.0297 12.3465 12.3465 12.4517 12.4517 13.5366 13.5366 13.6871 13.6871 14.0310 14.0310 14.1065 14.1065 k = 0.0800 0.5000 0.0800 ( 3730 PWs) bands (ev): -37.6846 -37.6846 -16.6719 -16.6719 -16.1704 -16.1704 -16.1640 -16.1640 -3.0368 -3.0368 -2.9710 -2.9710 -2.9397 -2.9397 -2.9293 -2.9293 -2.9137 -2.9137 -2.9006 -2.9006 -2.2158 -2.2158 -2.1630 -2.1630 -2.1028 -2.1028 -2.0872 -2.0872 -2.0807 -2.0807 -2.0466 -2.0466 -1.9928 -1.9928 -1.9308 -1.9308 -1.8654 -1.8654 4.0892 4.0892 5.0121 5.0121 9.8828 9.8828 10.6256 10.6256 11.0863 11.0863 12.2931 12.2931 12.4832 12.4832 13.5271 13.5271 13.6467 13.6467 14.0057 14.0057 14.1762 14.1762 k = 0.0700 0.5000 0.0700 ( 3718 PWs) bands (ev): -37.6846 -37.6846 -16.6719 -16.6719 -16.1704 -16.1704 -16.1638 -16.1638 -3.0385 -3.0385 -2.9704 -2.9704 -2.9398 -2.9398 -2.9283 -2.9283 -2.9136 -2.9136 -2.9018 -2.9018 -2.2163 -2.2163 -2.1625 -2.1625 -2.1003 -2.1003 -2.0879 -2.0879 -2.0813 -2.0813 -2.0483 -2.0483 -1.9940 -1.9940 -1.9299 -1.9299 -1.8618 -1.8618 4.0672 4.0672 4.9866 4.9866 10.0066 10.0066 10.6668 10.6668 11.1391 11.1391 12.1358 12.1358 12.6183 12.6183 13.5182 13.5182 13.6082 13.6082 13.9755 13.9755 14.2456 14.2456 k = 0.0600 0.5000 0.0600 ( 3718 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1637 -16.1637 -3.0401 -3.0401 -2.9700 -2.9700 -2.9400 -2.9400 -2.9274 -2.9274 -2.9136 -2.9136 -2.9031 -2.9031 -2.2169 -2.2169 -2.1620 -2.1620 -2.0979 -2.0979 -2.0886 -2.0886 -2.0820 -2.0820 -2.0502 -2.0502 -1.9949 -1.9949 -1.9291 -1.9291 -1.8586 -1.8586 4.0482 4.0482 4.9644 4.9644 10.1319 10.1319 10.7041 10.7041 11.1873 11.1873 11.9796 11.9796 12.7520 12.7520 13.5096 13.5096 13.5731 13.5731 13.9399 13.9399 14.3135 14.3135 k = 0.0500 0.5000 0.0500 ( 3728 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1637 -16.1637 -3.0416 -3.0416 -2.9699 -2.9699 -2.9403 -2.9403 -2.9266 -2.9266 -2.9136 -2.9136 -2.9045 -2.9045 -2.2174 -2.2174 -2.1616 -2.1616 -2.0956 -2.0956 -2.0893 -2.0893 -2.0828 -2.0828 -2.0522 -2.0522 -1.9957 -1.9957 -1.9286 -1.9286 -1.8559 -1.8559 4.0320 4.0320 4.9455 4.9455 10.2578 10.2578 10.7378 10.7378 11.2299 11.2299 11.8257 11.8257 12.8825 12.8825 13.5003 13.5003 13.5441 13.5441 13.8979 13.8979 14.3789 14.3789 k = 0.0400 0.5000 0.0400 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1636 -16.1636 -3.0428 -3.0428 -2.9696 -2.9696 -2.9405 -2.9405 -2.9258 -2.9258 -2.9136 -2.9136 -2.9058 -2.9058 -2.2178 -2.2178 -2.1612 -2.1612 -2.0934 -2.0934 -2.0898 -2.0898 -2.0834 -2.0834 -2.0541 -2.0541 -1.9963 -1.9963 -1.9282 -1.9282 -1.8538 -1.8538 4.0189 4.0189 4.9301 4.9301 10.3823 10.3823 10.7686 10.7686 11.2662 11.2662 11.6753 11.6753 13.0077 13.0077 13.4884 13.4884 13.5246 13.5246 13.8484 13.8484 14.4407 14.4407 k = 0.0300 0.5000 0.0300 ( 3728 PWs) bands (ev): -37.6846 -37.6846 -16.6717 -16.6717 -16.1704 -16.1704 -16.1635 -16.1635 -3.0438 -3.0438 -2.9693 -2.9693 -2.9406 -2.9406 -2.9250 -2.9250 -2.9134 -2.9134 -2.9069 -2.9069 -2.2181 -2.2181 -2.1609 -2.1609 -2.0914 -2.0914 -2.0901 -2.0901 -2.0839 -2.0839 -2.0558 -2.0558 -1.9967 -1.9967 -1.9278 -1.9278 -1.8519 -1.8519 4.0086 4.0086 4.9180 4.9180 10.5008 10.5008 10.7990 10.7990 11.2948 11.2948 11.5310 11.5310 13.1236 13.1236 13.4757 13.4757 13.5160 13.5160 13.7908 13.7908 14.4965 14.4965 k = 0.0200 0.5000 0.0200 ( 3732 PWs) bands (ev): -37.6846 -37.6846 -16.6717 -16.6717 -16.1704 -16.1704 -16.1635 -16.1635 -3.0446 -3.0446 -2.9692 -2.9692 -2.9407 -2.9407 -2.9244 -2.9244 -2.9132 -2.9132 -2.9078 -2.9078 -2.2184 -2.2184 -2.1607 -2.1607 -2.0907 -2.0907 -2.0894 -2.0894 -2.0846 -2.0846 -2.0572 -2.0572 -1.9969 -1.9969 -1.9276 -1.9276 -1.8505 -1.8505 4.0013 4.0013 4.9094 4.9094 10.6026 10.6026 10.8349 10.8349 11.3123 11.3123 11.4000 11.4000 13.2228 13.2228 13.4688 13.4688 13.5173 13.5173 13.7251 13.7251 14.5425 14.5425 k = 0.0100 0.5000 0.0100 ( 3754 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1635 -16.1635 -3.0452 -3.0452 -2.9692 -2.9692 -2.9410 -2.9410 -2.9241 -2.9241 -2.9132 -2.9132 -2.9088 -2.9088 -2.2185 -2.2185 -2.1609 -2.1609 -2.0910 -2.0910 -2.0883 -2.0883 -2.0855 -2.0855 -2.0582 -2.0582 -1.9971 -1.9971 -1.9278 -1.9278 -1.8497 -1.8497 3.9969 3.9969 4.9043 4.9043 10.6692 10.6692 10.8819 10.8819 11.2722 11.2722 11.3410 11.3410 13.2905 13.2905 13.4707 13.4707 13.5361 13.5361 13.6541 13.6541 14.5737 14.5737 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -37.6846 -37.6846 -16.6718 -16.6718 -16.1704 -16.1704 -16.1635 -16.1635 -3.0456 -3.0456 -2.9692 -2.9692 -2.9411 -2.9411 -2.9239 -2.9239 -2.9132 -2.9132 -2.9091 -2.9091 -2.2186 -2.2186 -2.1610 -2.1610 -2.0911 -2.0911 -2.0877 -2.0877 -2.0860 -2.0860 -2.0586 -2.0586 -1.9972 -1.9972 -1.9279 -1.9279 -1.8494 -1.8494 3.9955 3.9955 4.9025 4.9025 10.6907 10.6907 10.9118 10.9118 11.2253 11.2253 11.3414 11.3414 13.3134 13.3134 13.4734 13.4734 13.5813 13.5813 13.5891 13.5891 14.5849 14.5849 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9924 -2.9924 -2.9603 -2.9603 -2.9474 -2.9474 -2.9268 -2.9268 -2.9000 -2.9000 -2.8832 -2.8832 -2.1817 -2.1817 -2.1400 -2.1400 -2.1044 -2.1044 -2.0876 -2.0876 -2.0638 -2.0638 -2.0533 -2.0533 -2.0290 -2.0290 -1.9664 -1.9664 -1.9368 -1.9368 5.4753 5.4753 6.3401 6.3401 6.3725 6.3725 8.1800 8.1800 11.8652 11.8652 11.8719 11.8719 13.3507 13.3507 13.7888 13.7888 13.8540 13.8540 14.2302 14.2302 15.0863 15.0863 k = 0.5000 0.5000 0.0139 ( 3692 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9926 -2.9926 -2.9605 -2.9605 -2.9477 -2.9477 -2.9267 -2.9267 -2.9002 -2.9002 -2.8834 -2.8834 -2.1822 -2.1822 -2.1404 -2.1404 -2.1042 -2.1042 -2.0877 -2.0877 -2.0640 -2.0640 -2.0534 -2.0534 -2.0292 -2.0292 -1.9660 -1.9660 -1.9366 -1.9366 5.4770 5.4770 6.3413 6.3413 6.3737 6.3737 8.1815 8.1815 11.8591 11.8591 11.8662 11.8662 13.3141 13.3141 13.7892 13.7892 13.8541 13.8541 14.2577 14.2577 15.0851 15.0851 k = 0.5000 0.5000 0.0278 ( 3692 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1664 -16.1664 -2.9927 -2.9927 -2.9605 -2.9605 -2.9484 -2.9484 -2.9263 -2.9263 -2.9007 -2.9007 -2.8835 -2.8835 -2.1832 -2.1832 -2.1412 -2.1412 -2.1035 -2.1035 -2.0875 -2.0875 -2.0640 -2.0640 -2.0532 -2.0532 -2.0294 -2.0294 -1.9645 -1.9645 -1.9359 -1.9359 5.4822 5.4822 6.3449 6.3449 6.3773 6.3773 8.1860 8.1860 11.8412 11.8412 11.8496 11.8496 13.2166 13.2166 13.7901 13.7901 13.8548 13.8548 14.3269 14.3269 15.0818 15.0818 k = 0.5000 0.5000 0.0417 ( 3692 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1665 -16.1665 -2.9930 -2.9930 -2.9607 -2.9607 -2.9495 -2.9495 -2.9257 -2.9257 -2.9014 -2.9014 -2.8838 -2.8838 -2.1849 -2.1849 -2.1426 -2.1426 -2.1023 -2.1023 -2.0872 -2.0872 -2.0640 -2.0640 -2.0531 -2.0531 -2.0297 -2.0297 -1.9622 -1.9622 -1.9347 -1.9347 5.4910 5.4910 6.3510 6.3510 6.3833 6.3833 8.1936 8.1936 11.8116 11.8116 11.8221 11.8221 13.0807 13.0807 13.7918 13.7918 13.8563 13.8563 14.4139 14.4139 15.0769 15.0769 k = 0.5000 0.5000 0.0556 ( 3692 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1720 -16.1720 -16.1665 -16.1665 -2.9932 -2.9932 -2.9609 -2.9609 -2.9509 -2.9509 -2.9250 -2.9250 -2.9023 -2.9023 -2.8842 -2.8842 -2.1871 -2.1871 -2.1444 -2.1444 -2.1008 -2.1008 -2.0869 -2.0869 -2.0641 -2.0641 -2.0528 -2.0528 -2.0300 -2.0300 -1.9590 -1.9590 -1.9330 -1.9330 5.5032 5.5032 6.3594 6.3594 6.3917 6.3917 8.2042 8.2042 11.7710 11.7710 11.7843 11.7843 12.9229 12.9229 13.7940 13.7940 13.8588 13.8588 14.5015 14.5015 15.0709 15.0709 k = 0.5000 0.5000 0.0694 ( 3688 PWs) bands (ev): -37.6843 -37.6843 -16.6737 -16.6737 -16.1719 -16.1719 -16.1666 -16.1666 -2.9936 -2.9936 -2.9613 -2.9613 -2.9525 -2.9525 -2.9241 -2.9241 -2.9035 -2.9035 -2.8847 -2.8847 -2.1898 -2.1898 -2.1467 -2.1467 -2.0990 -2.0990 -2.0863 -2.0863 -2.0641 -2.0641 -2.0524 -2.0524 -2.0301 -2.0301 -1.9553 -1.9553 -1.9310 -1.9310 5.5189 5.5189 6.3702 6.3702 6.4025 6.4025 8.2177 8.2177 11.7201 11.7201 11.7367 11.7367 12.7526 12.7526 13.7968 13.7968 13.8622 13.8622 14.5802 14.5802 15.0642 15.0642 k = 0.5000 0.5000 0.0833 ( 3696 PWs) bands (ev): -37.6843 -37.6843 -16.6738 -16.6738 -16.1719 -16.1719 -16.1667 -16.1667 -2.9941 -2.9941 -2.9619 -2.9619 -2.9541 -2.9541 -2.9233 -2.9233 -2.9050 -2.9050 -2.8854 -2.8854 -2.1929 -2.1929 -2.1494 -2.1494 -2.0971 -2.0971 -2.0860 -2.0860 -2.0642 -2.0642 -2.0522 -2.0522 -2.0302 -2.0302 -1.9510 -1.9510 -1.9285 -1.9285 5.5381 5.5381 6.3834 6.3834 6.4157 6.4157 8.2342 8.2342 11.6596 11.6596 11.6800 11.6800 12.5752 12.5752 13.8003 13.8003 13.8663 13.8663 14.6467 14.6467 15.0574 15.0574 k = 0.5000 0.5000 0.0972 ( 3696 PWs) bands (ev): -37.6843 -37.6843 -16.6738 -16.6738 -16.1718 -16.1718 -16.1668 -16.1668 -2.9946 -2.9946 -2.9628 -2.9628 -2.9555 -2.9555 -2.9225 -2.9225 -2.9066 -2.9066 -2.8861 -2.8861 -2.1962 -2.1962 -2.1525 -2.1525 -2.0949 -2.0949 -2.0855 -2.0855 -2.0643 -2.0643 -2.0519 -2.0519 -2.0299 -2.0299 -1.9462 -1.9462 -1.9256 -1.9256 5.5608 5.5608 6.3990 6.3990 6.4312 6.4312 8.2535 8.2535 11.5904 11.5904 11.6149 11.6149 12.3937 12.3937 13.8043 13.8043 13.8712 13.8712 14.7009 14.7009 15.0507 15.0507 k = 0.5000 0.5000 0.1111 ( 3704 PWs) bands (ev): -37.6843 -37.6843 -16.6738 -16.6738 -16.1718 -16.1718 -16.1669 -16.1669 -2.9953 -2.9953 -2.9642 -2.9642 -2.9567 -2.9567 -2.9218 -2.9218 -2.9086 -2.9086 -2.8871 -2.8871 -2.1998 -2.1998 -2.1558 -2.1558 -2.0927 -2.0927 -2.0850 -2.0850 -2.0645 -2.0645 -2.0517 -2.0517 -2.0294 -2.0294 -1.9410 -1.9410 -1.9224 -1.9224 5.5869 5.5869 6.4169 6.4169 6.4491 6.4491 8.2757 8.2757 11.5136 11.5136 11.5423 11.5423 12.2100 12.2100 13.8088 13.8088 13.8768 13.8768 14.7442 14.7442 15.0442 15.0442 k = 0.5000 0.5000 0.1250 ( 3696 PWs) bands (ev): -37.6843 -37.6843 -16.6738 -16.6738 -16.1718 -16.1718 -16.1670 -16.1670 -2.9959 -2.9959 -2.9660 -2.9660 -2.9574 -2.9574 -2.9211 -2.9211 -2.9106 -2.9106 -2.8880 -2.8880 -2.2034 -2.2034 -2.1593 -2.1593 -2.0904 -2.0904 -2.0845 -2.0845 -2.0645 -2.0645 -2.0515 -2.0515 -2.0284 -2.0284 -1.9355 -1.9355 -1.9187 -1.9187 5.6165 5.6165 6.4371 6.4371 6.4692 6.4692 8.3005 8.3005 11.4300 11.4300 11.4631 11.4631 12.0255 12.0255 13.8138 13.8138 13.8830 13.8830 14.7788 14.7788 15.0380 15.0380 k = 0.5000 0.5000 0.1389 ( 3704 PWs) bands (ev): -37.6843 -37.6843 -16.6739 -16.6739 -16.1717 -16.1717 -16.1671 -16.1671 -2.9966 -2.9966 -2.9682 -2.9682 -2.9581 -2.9581 -2.9206 -2.9206 -2.9128 -2.9128 -2.8892 -2.8892 -2.2072 -2.2072 -2.1630 -2.1630 -2.0883 -2.0883 -2.0840 -2.0840 -2.0647 -2.0647 -2.0514 -2.0514 -2.0273 -2.0273 -1.9299 -1.9299 -1.9149 -1.9149 5.6495 5.6495 6.4596 6.4596 6.4917 6.4917 8.3280 8.3280 11.3406 11.3406 11.3780 11.3780 11.8409 11.8409 13.8193 13.8193 13.8899 13.8899 14.8065 14.8065 15.0322 15.0322 k = 0.5000 0.5000 0.1528 ( 3704 PWs) bands (ev): -37.6843 -37.6843 -16.6739 -16.6739 -16.1716 -16.1716 -16.1673 -16.1673 -2.9974 -2.9974 -2.9706 -2.9706 -2.9585 -2.9585 -2.9201 -2.9201 -2.9152 -2.9152 -2.8904 -2.8904 -2.2110 -2.2110 -2.1667 -2.1667 -2.0861 -2.0861 -2.0835 -2.0835 -2.0648 -2.0648 -2.0513 -2.0513 -2.0257 -2.0257 -1.9241 -1.9241 -1.9108 -1.9108 5.6859 5.6859 6.4843 6.4843 6.5163 6.5163 8.3580 8.3580 11.2462 11.2462 11.2879 11.2879 11.6570 11.6570 13.8251 13.8251 13.8973 13.8973 14.8289 14.8289 15.0269 15.0269 k = 0.5000 0.5000 0.1667 ( 3688 PWs) bands (ev): -37.6843 -37.6843 -16.6739 -16.6739 -16.1716 -16.1716 -16.1673 -16.1673 -2.9982 -2.9982 -2.9730 -2.9730 -2.9586 -2.9586 -2.9196 -2.9196 -2.9175 -2.9175 -2.8916 -2.8916 -2.2147 -2.2147 -2.1705 -2.1705 -2.0838 -2.0838 -2.0828 -2.0828 -2.0647 -2.0647 -2.0512 -2.0512 -2.0238 -2.0238 -1.9180 -1.9180 -1.9063 -1.9063 5.7257 5.7257 6.5113 6.5113 6.5432 6.5432 8.3905 8.3905 11.1478 11.1478 11.1937 11.1937 11.4741 11.4741 13.8312 13.8312 13.9052 13.9052 14.8473 14.8473 15.0220 15.0220 k = 0.5000 0.5000 0.1806 ( 3716 PWs) bands (ev): -37.6843 -37.6843 -16.6740 -16.6740 -16.1715 -16.1715 -16.1676 -16.1676 -2.9993 -2.9993 -2.9759 -2.9759 -2.9591 -2.9591 -2.9202 -2.9202 -2.9196 -2.9196 -2.8933 -2.8933 -2.2186 -2.2186 -2.1745 -2.1745 -2.0825 -2.0825 -2.0820 -2.0820 -2.0650 -2.0650 -2.0515 -2.0515 -2.0220 -2.0220 -1.9123 -1.9123 -1.9019 -1.9019 5.7689 5.7689 6.5404 6.5404 6.5722 6.5722 8.4252 8.4252 11.0461 11.0461 11.0960 11.0960 11.2926 11.2926 13.8375 13.8375 13.9135 13.9135 14.8626 14.8626 15.0174 15.0174 k = 0.5000 0.5000 0.1944 ( 3716 PWs) bands (ev): -37.6843 -37.6843 -16.6740 -16.6740 -16.1715 -16.1715 -16.1677 -16.1677 -3.0002 -3.0002 -2.9786 -2.9786 -2.9593 -2.9593 -2.9228 -2.9228 -2.9194 -2.9194 -2.8948 -2.8948 -2.2223 -2.2223 -2.1783 -2.1783 -2.0819 -2.0819 -2.0801 -2.0801 -2.0650 -2.0650 -2.0515 -2.0515 -2.0198 -2.0198 -1.9064 -1.9064 -1.8973 -1.8973 5.8155 5.8155 6.5716 6.5716 6.6032 6.6032 8.4621 8.4621 10.9417 10.9417 10.9955 10.9955 11.1128 11.1128 13.8440 13.8440 13.9223 13.9223 14.8756 14.8756 15.0132 15.0132 k = 0.5000 0.5000 0.2083 ( 3716 PWs) bands (ev): -37.6843 -37.6843 -16.6741 -16.6741 -16.1714 -16.1714 -16.1679 -16.1679 -3.0012 -3.0012 -2.9813 -2.9813 -2.9595 -2.9595 -2.9254 -2.9254 -2.9193 -2.9193 -2.8964 -2.8964 -2.2258 -2.2258 -2.1821 -2.1821 -2.0813 -2.0813 -2.0783 -2.0783 -2.0650 -2.0650 -2.0516 -2.0516 -2.0174 -2.0174 -1.9005 -1.9005 -1.8926 -1.8926 5.8654 5.8654 6.6049 6.6049 6.6363 6.6363 8.5009 8.5009 10.8355 10.8355 10.8930 10.8930 10.9349 10.9349 13.8505 13.8505 13.9314 13.9314 14.8866 14.8866 15.0093 15.0093 k = 0.5000 0.5000 0.2222 ( 3712 PWs) bands (ev): -37.6842 -37.6842 -16.6741 -16.6741 -16.1713 -16.1713 -16.1680 -16.1680 -3.0022 -3.0022 -2.9840 -2.9840 -2.9597 -2.9597 -2.9281 -2.9281 -2.9192 -2.9192 -2.8980 -2.8980 -2.2292 -2.2292 -2.1858 -2.1858 -2.0806 -2.0806 -2.0766 -2.0766 -2.0649 -2.0649 -2.0517 -2.0517 -2.0149 -2.0149 -1.8947 -1.8947 -1.8878 -1.8878 5.9187 5.9187 6.6402 6.6402 6.6712 6.6712 8.5415 8.5415 10.7280 10.7280 10.7591 10.7591 10.7892 10.7892 13.8570 13.8570 13.9407 13.9407 14.8962 14.8962 15.0058 15.0058 k = 0.5000 0.5000 0.2361 ( 3712 PWs) bands (ev): -37.6842 -37.6842 -16.6741 -16.6741 -16.1712 -16.1712 -16.1682 -16.1682 -3.0032 -3.0032 -2.9867 -2.9867 -2.9598 -2.9598 -2.9307 -2.9307 -2.9193 -2.9193 -2.8996 -2.8996 -2.2324 -2.2324 -2.1895 -2.1895 -2.0800 -2.0800 -2.0752 -2.0752 -2.0648 -2.0648 -2.0518 -2.0518 -2.0123 -2.0123 -1.8890 -1.8890 -1.8831 -1.8831 5.9752 5.9752 6.6773 6.6773 6.7080 6.7080 8.5837 8.5837 10.5854 10.5854 10.6201 10.6201 10.6844 10.6844 13.8632 13.8632 13.9503 13.9503 14.9046 14.9046 15.0025 15.0025 k = 0.5000 0.5000 0.2500 ( 3700 PWs) bands (ev): -37.6842 -37.6842 -16.6741 -16.6741 -16.1711 -16.1711 -16.1683 -16.1683 -3.0042 -3.0042 -2.9893 -2.9893 -2.9599 -2.9599 -2.9333 -2.9333 -2.9193 -2.9193 -2.9012 -2.9012 -2.2355 -2.2355 -2.1929 -2.1929 -2.0792 -2.0792 -2.0738 -2.0738 -2.0644 -2.0644 -2.0518 -2.0518 -2.0096 -2.0096 -1.8833 -1.8833 -1.8783 -1.8783 6.0349 6.0349 6.7162 6.7162 6.7465 6.7465 8.6272 8.6272 10.4143 10.4143 10.5118 10.5118 10.5795 10.5795 13.8692 13.8692 13.9599 13.9599 14.9120 14.9120 14.9995 14.9995 k = 0.5000 0.5000 0.2639 ( 3724 PWs) bands (ev): -37.6842 -37.6842 -16.6742 -16.6742 -16.1711 -16.1711 -16.1685 -16.1685 -3.0054 -3.0054 -2.9920 -2.9920 -2.9602 -2.9602 -2.9361 -2.9361 -2.9197 -2.9197 -2.9031 -2.9031 -2.2386 -2.2386 -2.1964 -2.1964 -2.0788 -2.0788 -2.0730 -2.0730 -2.0642 -2.0642 -2.0521 -2.0521 -2.0072 -2.0072 -1.8781 -1.8781 -1.8738 -1.8738 6.0979 6.0979 6.7566 6.7566 6.7865 6.7865 8.6718 8.6718 10.2457 10.2457 10.4040 10.4040 10.4748 10.4748 13.8745 13.8745 13.9696 13.9696 14.9186 14.9186 14.9968 14.9968 k = 0.5000 0.5000 0.2778 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6742 -16.6742 -16.1710 -16.1710 -16.1687 -16.1687 -3.0064 -3.0064 -2.9945 -2.9945 -2.9603 -2.9603 -2.9386 -2.9386 -2.9199 -2.9199 -2.9047 -2.9047 -2.2413 -2.2413 -2.1996 -2.1996 -2.0781 -2.0781 -2.0721 -2.0721 -2.0636 -2.0636 -2.0522 -2.0522 -2.0045 -2.0045 -1.8728 -1.8728 -1.8692 -1.8692 6.1640 6.1640 6.7986 6.7986 6.8280 6.8280 8.7172 8.7172 10.0797 10.0797 10.2970 10.2970 10.3709 10.3709 13.8791 13.8791 13.9793 13.9793 14.9245 14.9245 14.9454 14.9454 k = 0.5000 0.5000 0.2917 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6743 -16.6743 -16.1709 -16.1709 -16.1688 -16.1688 -3.0074 -3.0074 -2.9969 -2.9969 -2.9604 -2.9604 -2.9411 -2.9411 -2.9202 -2.9202 -2.9063 -2.9063 -2.2439 -2.2439 -2.2027 -2.2027 -2.0775 -2.0775 -2.0716 -2.0716 -2.0628 -2.0628 -2.0523 -2.0523 -2.0020 -2.0020 -1.8678 -1.8678 -1.8648 -1.8648 6.2332 6.2332 6.8420 6.8420 6.8707 6.8707 8.7631 8.7631 9.9165 9.9165 10.1915 10.1915 10.2684 10.2684 13.8824 13.8824 13.9889 13.9889 14.8143 14.8143 14.9298 14.9298 k = 0.5000 0.5000 0.3056 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6743 -16.6743 -16.1708 -16.1708 -16.1690 -16.1690 -3.0085 -3.0085 -2.9993 -2.9993 -2.9606 -2.9606 -2.9436 -2.9436 -2.9205 -2.9205 -2.9079 -2.9079 -2.2464 -2.2464 -2.2056 -2.2056 -2.0768 -2.0768 -2.0713 -2.0713 -2.0619 -2.0619 -2.0524 -2.0524 -1.9994 -1.9994 -1.8631 -1.8631 -1.8605 -1.8605 6.3055 6.3055 6.8864 6.8864 6.9144 6.9144 8.8091 8.8091 9.7561 9.7561 10.0878 10.0878 10.1677 10.1677 13.8841 13.8841 13.9982 13.9982 14.6900 14.6900 14.9346 14.9346 k = 0.5000 0.5000 0.3194 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6743 -16.6743 -16.1708 -16.1708 -16.1691 -16.1691 -3.0095 -3.0095 -3.0015 -3.0015 -2.9608 -2.9608 -2.9459 -2.9459 -2.9209 -2.9209 -2.9095 -2.9095 -2.2487 -2.2487 -2.2083 -2.2083 -2.0762 -2.0762 -2.0711 -2.0711 -2.0610 -2.0610 -2.0525 -2.0525 -1.9970 -1.9970 -1.8586 -1.8586 -1.8564 -1.8564 6.3807 6.3807 6.9316 6.9316 6.9588 6.9588 8.8549 8.8549 9.5987 9.5987 9.9865 9.9865 10.0694 10.0694 13.8835 13.8835 14.0074 14.0074 14.5734 14.5734 14.9389 14.9389 k = 0.5000 0.5000 0.3333 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6744 -16.6744 -16.1707 -16.1707 -16.1693 -16.1693 -3.0105 -3.0105 -3.0037 -3.0037 -2.9609 -2.9609 -2.9481 -2.9481 -2.9213 -2.9213 -2.9110 -2.9110 -2.2508 -2.2508 -2.2109 -2.2109 -2.0756 -2.0756 -2.0711 -2.0711 -2.0600 -2.0600 -2.0526 -2.0526 -1.9947 -1.9947 -1.8543 -1.8543 -1.8526 -1.8526 6.4588 6.4588 6.9774 6.9774 7.0037 7.0037 8.9000 8.9000 9.4445 9.4445 9.8880 9.8880 9.9740 9.9740 13.8796 13.8796 14.0162 14.0162 14.4662 14.4662 14.9427 14.9427 k = 0.5000 0.5000 0.3472 ( 3720 PWs) bands (ev): -37.6842 -37.6842 -16.6744 -16.6744 -16.1706 -16.1706 -16.1694 -16.1694 -3.0114 -3.0114 -3.0057 -3.0057 -2.9611 -2.9611 -2.9502 -2.9502 -2.9217 -2.9217 -2.9125 -2.9125 -2.2527 -2.2527 -2.2133 -2.2133 -2.0750 -2.0750 -2.0710 -2.0710 -2.0591 -2.0591 -2.0528 -2.0528 -1.9925 -1.9925 -1.8503 -1.8503 -1.8489 -1.8489 6.5395 6.5395 7.0234 7.0234 7.0487 7.0487 8.9439 8.9439 9.2935 9.2935 9.7930 9.7930 9.8821 9.8821 13.8709 13.8709 14.0246 14.0246 14.3700 14.3700 14.9460 14.9460 k = 0.5000 0.5000 0.3611 ( 3720 PWs) bands (ev): -37.6842 -37.6842 -16.6744 -16.6744 -16.1706 -16.1706 -16.1696 -16.1696 -3.0123 -3.0123 -3.0076 -3.0076 -2.9612 -2.9612 -2.9521 -2.9521 -2.9221 -2.9221 -2.9139 -2.9139 -2.2545 -2.2545 -2.2154 -2.2154 -2.0745 -2.0745 -2.0711 -2.0711 -2.0582 -2.0582 -2.0528 -2.0528 -1.9905 -1.9905 -1.8467 -1.8467 -1.8455 -1.8455 6.6229 6.6229 7.0692 7.0692 7.0933 7.0933 8.9862 8.9862 9.1460 9.1460 9.7020 9.7020 9.7944 9.7944 13.8557 13.8557 14.0325 14.0325 14.2871 14.2871 14.9489 14.9489 k = 0.5000 0.5000 0.3750 ( 3720 PWs) bands (ev): -37.6842 -37.6842 -16.6745 -16.6745 -16.1705 -16.1705 -16.1697 -16.1697 -3.0131 -3.0131 -3.0093 -3.0093 -2.9614 -2.9614 -2.9539 -2.9539 -2.9225 -2.9225 -2.9152 -2.9152 -2.2560 -2.2560 -2.2174 -2.2174 -2.0739 -2.0739 -2.0711 -2.0711 -2.0573 -2.0573 -2.0530 -2.0530 -1.9886 -1.9886 -1.8432 -1.8432 -1.8423 -1.8423 6.7085 6.7085 7.1142 7.1142 7.1371 7.1371 9.0023 9.0023 9.0263 9.0263 9.6156 9.6156 9.7116 9.7116 13.8323 13.8323 14.0399 14.0399 14.2198 14.2198 14.9514 14.9514 k = 0.5000 0.5000 0.3889 ( 3716 PWs) bands (ev): -37.6842 -37.6842 -16.6745 -16.6745 -16.1705 -16.1705 -16.1698 -16.1698 -3.0139 -3.0139 -3.0108 -3.0108 -2.9615 -2.9615 -2.9556 -2.9556 -2.9228 -2.9228 -2.9163 -2.9163 -2.2574 -2.2574 -2.2191 -2.2191 -2.0735 -2.0735 -2.0712 -2.0712 -2.0564 -2.0564 -2.0530 -2.0530 -1.9868 -1.9868 -1.8401 -1.8401 -1.8394 -1.8394 6.7960 6.7960 7.1580 7.1580 7.1794 7.1794 8.8627 8.8627 9.0635 9.0635 9.5346 9.5346 9.6346 9.6346 13.8001 13.8001 14.0467 14.0467 14.1690 14.1690 14.9534 14.9534 k = 0.5000 0.5000 0.4028 ( 3716 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1704 -16.1704 -16.1699 -16.1699 -3.0145 -3.0145 -3.0122 -3.0122 -2.9616 -2.9616 -2.9570 -2.9570 -2.9231 -2.9231 -2.9174 -2.9174 -2.2586 -2.2586 -2.2207 -2.2207 -2.0731 -2.0731 -2.0713 -2.0713 -2.0557 -2.0557 -2.0530 -2.0530 -1.9852 -1.9852 -1.8374 -1.8374 -1.8369 -1.8369 6.8851 6.8851 7.1997 7.1997 7.2197 7.2197 8.7278 8.7278 9.0972 9.0972 9.4598 9.4598 9.5642 9.5642 13.7607 13.7607 14.0529 14.0529 14.1335 14.1335 14.9551 14.9551 k = 0.5000 0.5000 0.4167 ( 3720 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1703 -16.1703 -16.1700 -16.1700 -3.0152 -3.0152 -3.0135 -3.0135 -2.9618 -2.9618 -2.9583 -2.9583 -2.9234 -2.9234 -2.9183 -2.9183 -2.2597 -2.2597 -2.2221 -2.2221 -2.0727 -2.0727 -2.0714 -2.0714 -2.0552 -2.0552 -2.0530 -2.0530 -1.9839 -1.9839 -1.8351 -1.8351 -1.8347 -1.8347 6.9748 6.9748 7.2386 7.2386 7.2571 7.2571 8.5981 8.5981 9.1265 9.1265 9.3920 9.3920 9.5017 9.5017 13.7181 13.7181 14.0584 14.0584 14.1101 14.1101 14.9564 14.9564 k = 0.5000 0.5000 0.4306 ( 3720 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1703 -16.1703 -16.1701 -16.1701 -3.0157 -3.0157 -3.0145 -3.0145 -2.9619 -2.9619 -2.9594 -2.9594 -2.9237 -2.9237 -2.9191 -2.9191 -2.2606 -2.2606 -2.2233 -2.2233 -2.0724 -2.0724 -2.0715 -2.0715 -2.0546 -2.0546 -2.0531 -2.0531 -1.9827 -1.9827 -1.8331 -1.8331 -1.8328 -1.8328 7.0641 7.0641 7.2740 7.2740 7.2909 7.2909 8.4751 8.4751 9.1505 9.1505 9.3321 9.3321 9.4483 9.4483 13.6761 13.6761 14.0631 14.0631 14.0951 14.0951 14.9574 14.9574 k = 0.5000 0.5000 0.4444 ( 3712 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1703 -16.1703 -16.1701 -16.1701 -3.0161 -3.0161 -3.0154 -3.0154 -2.9619 -2.9619 -2.9602 -2.9602 -2.9238 -2.9238 -2.9197 -2.9197 -2.2613 -2.2613 -2.2242 -2.2242 -2.0720 -2.0720 -2.0715 -2.0715 -2.0541 -2.0541 -2.0531 -2.0531 -1.9816 -1.9816 -1.8313 -1.8313 -1.8311 -1.8311 7.1509 7.1509 7.3048 7.3048 7.3202 7.3202 8.3606 8.3606 9.1685 9.1685 9.2813 9.2813 9.4054 9.4054 13.6383 13.6383 14.0670 14.0670 14.0857 14.0857 14.9581 14.9581 k = 0.5000 0.5000 0.4583 ( 3712 PWs) bands (ev): -37.6841 -37.6841 -16.6746 -16.6746 -16.1702 -16.1702 -16.1702 -16.1702 -3.0164 -3.0164 -3.0160 -3.0160 -2.9620 -2.9620 -2.9610 -2.9610 -2.9240 -2.9240 -2.9202 -2.9202 -2.2619 -2.2619 -2.2249 -2.2249 -2.0718 -2.0718 -2.0716 -2.0716 -2.0538 -2.0538 -2.0531 -2.0531 -1.9808 -1.9808 -1.8300 -1.8300 -1.8299 -1.8299 7.2318 7.2318 7.3302 7.3302 7.3442 7.3442 8.2579 8.2579 9.1797 9.1797 9.2404 9.2404 9.3741 9.3741 13.6069 13.6069 14.0700 14.0700 14.0799 14.0799 14.9586 14.9593 k = 0.5000 0.5000 0.4722 ( 3696 PWs) bands (ev): -37.6841 -37.6841 -16.6745 -16.6745 -16.1702 -16.1702 -16.1702 -16.1702 -3.0166 -3.0166 -3.0164 -3.0164 -2.9619 -2.9619 -2.9614 -2.9614 -2.9240 -2.9240 -2.9204 -2.9204 -2.2622 -2.2622 -2.2254 -2.2254 -2.0715 -2.0715 -2.0714 -2.0714 -2.0535 -2.0535 -2.0529 -2.0529 -1.9801 -1.9801 -1.8289 -1.8289 -1.8289 -1.8289 7.3007 7.3007 7.3499 7.3499 7.3620 7.3620 8.1728 8.1728 9.1847 9.1847 9.2104 9.2104 9.3542 9.3542 13.5835 13.5835 14.0723 14.0723 14.0764 14.0764 14.9592 14.9596 k = 0.5000 0.5000 0.4861 ( 3648 PWs) bands (ev): -37.6841 -37.6841 -16.6744 -16.6744 -16.1701 -16.1701 -16.1701 -16.1701 -3.0164 -3.0164 -3.0164 -3.0164 -2.9615 -2.9615 -2.9614 -2.9614 -2.9237 -2.9237 -2.9204 -2.9204 -2.2623 -2.2623 -2.2254 -2.2254 -2.0709 -2.0709 -2.0709 -2.0709 -2.0528 -2.0528 -2.0528 -2.0528 -1.9792 -1.9792 -1.8278 -1.8278 -1.8278 -1.8278 7.3458 7.3458 7.3659 7.3659 7.3730 7.3730 8.1142 8.1142 9.1860 9.1860 9.1921 9.1921 9.3440 9.3440 13.5692 13.5692 14.0736 14.0736 14.0746 14.0746 14.9591 14.9591 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -37.6841 -37.6841 -16.6744 -16.6744 -16.1701 -16.1701 -16.1701 -16.1701 -3.0165 -3.0165 -3.0165 -3.0165 -2.9615 -2.9615 -2.9615 -2.9615 -2.9237 -2.9237 -2.9205 -2.9205 -2.2623 -2.2623 -2.2255 -2.2255 -2.0709 -2.0709 -2.0709 -2.0709 -2.0528 -2.0528 -2.0528 -2.0528 -1.9791 -1.9791 -1.8276 -1.8276 -1.8276 -1.8276 7.3571 7.3571 7.3767 7.3767 7.3767 7.3767 8.0929 8.0929 9.1859 9.1859 9.1859 9.1859 9.3409 9.3409 13.5643 13.5643 14.0741 14.0741 14.0741 14.0741 14.9591 14.9591 Writing output data file ScIn3.save init_run : 0.24s CPU 0.41s WALL ( 1 calls) electrons : 141.63s CPU 143.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 141.62s CPU 143.71s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s 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 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 275 calls) cegterg : 130.28s CPU 131.90s WALL ( 366 calls) Called by sum_band: Called by *egterg: h_psi : 70.94s CPU 72.16s WALL ( 5867 calls) s_psi : 4.53s CPU 4.64s WALL ( 5867 calls) g_psi : 0.20s CPU 0.19s WALL ( 5226 calls) cdiaghg : 49.71s CPU 50.13s WALL ( 5501 calls) cegterg:over : 5.06s CPU 5.24s WALL ( 5226 calls) cegterg:upda : 4.23s CPU 4.33s WALL ( 5226 calls) cegterg:last : 2.31s CPU 2.27s WALL ( 916 calls) cdiaghg:chol : 2.80s CPU 2.84s WALL ( 5501 calls) cdiaghg:inve : 1.95s CPU 1.90s WALL ( 5501 calls) cdiaghg:para : 3.22s CPU 3.28s WALL ( 11002 calls) Called by h_psi: h_psi:vloc : 60.78s CPU 61.84s WALL ( 5867 calls) h_psi:vnl : 9.94s CPU 10.12s WALL ( 5867 calls) add_vuspsi : 5.32s CPU 5.34s WALL ( 5867 calls) General routines calbec : 4.61s CPU 4.76s WALL ( 5867 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.64s CPU 57.73s WALL ( 729012 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.19s WALL ( 550 calls) Parallel routines fft_scatter : 21.28s CPU 21.71s WALL ( 729035 calls) PWSCF : 2m36.17s CPU 2m46.62s WALL This run was terminated on: 19:23:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=