Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:27:41 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: ./CaSnO3.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 36 22 6 1008 458 78 Max 37 23 7 1013 469 83 Sum 1321 793 241 36377 16663 2897 bravais-lattice index = 14 lattice parameter (alat) = 7.1810 a.u. unit-cell volume = 370.2945 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.180959 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Sn 14.00 118.71000 Sn( 1.00) Ca 10.00 40.07800 Ca( 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= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389830), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050847), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949152), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949153 0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389831), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050848), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949153), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 Dense grid: 36377 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16663 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 134, 50) NL pseudopotentials 0.11 Mb ( 67, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1011) G-vector shells 0.00 Mb ( 269) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 134, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CaSnO3.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 7.4 secs Computing kpt #: 3 total cpu time spent up to now is 8.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.0 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.2 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.7 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.2 secs Computing kpt #: 19 total cpu time spent up to now is 13.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.7 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.8 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 15.3 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 15.8 secs Computing kpt #: 29 total cpu time spent up to now is 16.1 secs Computing kpt #: 30 total cpu time spent up to now is 16.4 secs Computing kpt #: 31 total cpu time spent up to now is 16.6 secs Computing kpt #: 32 total cpu time spent up to now is 16.9 secs Computing kpt #: 33 total cpu time spent up to now is 17.1 secs Computing kpt #: 34 total cpu time spent up to now is 17.4 secs Computing kpt #: 35 total cpu time spent up to now is 17.6 secs Computing kpt #: 36 total cpu time spent up to now is 17.9 secs Computing kpt #: 37 total cpu time spent up to now is 18.1 secs Computing kpt #: 38 total cpu time spent up to now is 18.3 secs Computing kpt #: 39 total cpu time spent up to now is 18.6 secs Computing kpt #: 40 total cpu time spent up to now is 18.8 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.3 secs Computing kpt #: 43 total cpu time spent up to now is 19.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.8 secs Computing kpt #: 45 total cpu time spent up to now is 20.0 secs Computing kpt #: 46 total cpu time spent up to now is 20.2 secs Computing kpt #: 47 total cpu time spent up to now is 20.5 secs Computing kpt #: 48 total cpu time spent up to now is 20.8 secs Computing kpt #: 49 total cpu time spent up to now is 21.1 secs Computing kpt #: 50 total cpu time spent up to now is 21.3 secs Computing kpt #: 51 total cpu time spent up to now is 21.5 secs Computing kpt #: 52 total cpu time spent up to now is 21.8 secs Computing kpt #: 53 total cpu time spent up to now is 22.0 secs Computing kpt #: 54 total cpu time spent up to now is 22.3 secs Computing kpt #: 55 total cpu time spent up to now is 22.5 secs Computing kpt #: 56 total cpu time spent up to now is 22.8 secs Computing kpt #: 57 total cpu time spent up to now is 23.0 secs Computing kpt #: 58 total cpu time spent up to now is 23.2 secs Computing kpt #: 59 total cpu time spent up to now is 23.5 secs Computing kpt #: 60 total cpu time spent up to now is 23.7 secs Computing kpt #: 61 total cpu time spent up to now is 23.9 secs Computing kpt #: 62 total cpu time spent up to now is 24.2 secs Computing kpt #: 63 total cpu time spent up to now is 24.4 secs Computing kpt #: 64 total cpu time spent up to now is 24.7 secs Computing kpt #: 65 total cpu time spent up to now is 24.9 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.4 secs Computing kpt #: 68 total cpu time spent up to now is 25.6 secs Computing kpt #: 69 total cpu time spent up to now is 25.9 secs Computing kpt #: 70 total cpu time spent up to now is 26.1 secs Computing kpt #: 71 total cpu time spent up to now is 26.3 secs Computing kpt #: 72 total cpu time spent up to now is 26.6 secs Computing kpt #: 73 total cpu time spent up to now is 26.8 secs Computing kpt #: 74 total cpu time spent up to now is 27.1 secs Computing kpt #: 75 total cpu time spent up to now is 27.3 secs Computing kpt #: 76 total cpu time spent up to now is 27.5 secs Computing kpt #: 77 total cpu time spent up to now is 27.8 secs Computing kpt #: 78 total cpu time spent up to now is 28.0 secs Computing kpt #: 79 total cpu time spent up to now is 28.2 secs Computing kpt #: 80 total cpu time spent up to now is 28.4 secs Computing kpt #: 81 total cpu time spent up to now is 28.7 secs Computing kpt #: 82 total cpu time spent up to now is 28.9 secs Computing kpt #: 83 total cpu time spent up to now is 29.1 secs Computing kpt #: 84 total cpu time spent up to now is 29.4 secs Computing kpt #: 85 total cpu time spent up to now is 29.6 secs Computing kpt #: 86 total cpu time spent up to now is 29.8 secs Computing kpt #: 87 total cpu time spent up to now is 30.1 secs Computing kpt #: 88 total cpu time spent up to now is 30.3 secs Computing kpt #: 89 total cpu time spent up to now is 30.5 secs Computing kpt #: 90 total cpu time spent up to now is 30.8 secs Computing kpt #: 91 total cpu time spent up to now is 31.0 secs Computing kpt #: 92 total cpu time spent up to now is 31.2 secs Computing kpt #: 93 total cpu time spent up to now is 31.5 secs Computing kpt #: 94 total cpu time spent up to now is 31.7 secs Computing kpt #: 95 total cpu time spent up to now is 31.9 secs Computing kpt #: 96 total cpu time spent up to now is 32.2 secs Computing kpt #: 97 total cpu time spent up to now is 32.4 secs Computing kpt #: 98 total cpu time spent up to now is 32.7 secs Computing kpt #: 99 total cpu time spent up to now is 32.9 secs Computing kpt #: 100 total cpu time spent up to now is 33.1 secs Computing kpt #: 101 total cpu time spent up to now is 33.4 secs Computing kpt #: 102 total cpu time spent up to now is 33.6 secs Computing kpt #: 103 total cpu time spent up to now is 33.8 secs Computing kpt #: 104 total cpu time spent up to now is 34.1 secs Computing kpt #: 105 total cpu time spent up to now is 34.3 secs Computing kpt #: 106 total cpu time spent up to now is 34.6 secs Computing kpt #: 107 total cpu time spent up to now is 34.8 secs Computing kpt #: 108 total cpu time spent up to now is 35.1 secs Computing kpt #: 109 total cpu time spent up to now is 35.3 secs Computing kpt #: 110 total cpu time spent up to now is 35.5 secs Computing kpt #: 111 total cpu time spent up to now is 35.8 secs Computing kpt #: 112 total cpu time spent up to now is 36.1 secs Computing kpt #: 113 total cpu time spent up to now is 36.3 secs Computing kpt #: 114 total cpu time spent up to now is 36.6 secs Computing kpt #: 115 total cpu time spent up to now is 36.8 secs Computing kpt #: 116 total cpu time spent up to now is 37.1 secs Computing kpt #: 117 total cpu time spent up to now is 37.3 secs Computing kpt #: 118 total cpu time spent up to now is 37.6 secs Computing kpt #: 119 total cpu time spent up to now is 37.8 secs Computing kpt #: 120 total cpu time spent up to now is 38.1 secs Computing kpt #: 121 total cpu time spent up to now is 38.4 secs Computing kpt #: 122 total cpu time spent up to now is 38.6 secs Computing kpt #: 123 total cpu time spent up to now is 38.9 secs Computing kpt #: 124 total cpu time spent up to now is 39.1 secs Computing kpt #: 125 total cpu time spent up to now is 39.4 secs Computing kpt #: 126 total cpu time spent up to now is 39.7 secs Computing kpt #: 127 total cpu time spent up to now is 39.9 secs Computing kpt #: 128 total cpu time spent up to now is 40.2 secs Computing kpt #: 129 total cpu time spent up to now is 40.4 secs Computing kpt #: 130 total cpu time spent up to now is 40.7 secs Computing kpt #: 131 total cpu time spent up to now is 40.9 secs Computing kpt #: 132 total cpu time spent up to now is 41.2 secs Computing kpt #: 133 total cpu time spent up to now is 41.5 secs Computing kpt #: 134 total cpu time spent up to now is 41.8 secs Computing kpt #: 135 total cpu time spent up to now is 42.0 secs Computing kpt #: 136 total cpu time spent up to now is 42.4 secs Computing kpt #: 137 total cpu time spent up to now is 42.9 secs Computing kpt #: 138 total cpu time spent up to now is 43.3 secs Computing kpt #: 139 total cpu time spent up to now is 43.7 secs Computing kpt #: 140 total cpu time spent up to now is 44.2 secs Computing kpt #: 141 total cpu time spent up to now is 44.7 secs Computing kpt #: 142 total cpu time spent up to now is 45.2 secs Computing kpt #: 143 total cpu time spent up to now is 45.7 secs Computing kpt #: 144 total cpu time spent up to now is 46.2 secs Computing kpt #: 145 total cpu time spent up to now is 46.6 secs Computing kpt #: 146 total cpu time spent up to now is 47.3 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.4 secs Computing kpt #: 148 total cpu time spent up to now is 48.7 secs Computing kpt #: 149 total cpu time spent up to now is 49.1 secs Computing kpt #: 150 total cpu time spent up to now is 49.4 secs Computing kpt #: 151 total cpu time spent up to now is 50.0 secs Computing kpt #: 152 total cpu time spent up to now is 50.5 secs Computing kpt #: 153 total cpu time spent up to now is 50.9 secs Computing kpt #: 154 total cpu time spent up to now is 51.4 secs Computing kpt #: 155 total cpu time spent up to now is 51.8 secs Computing kpt #: 156 total cpu time spent up to now is 52.3 secs Computing kpt #: 157 total cpu time spent up to now is 52.7 secs Computing kpt #: 158 total cpu time spent up to now is 53.1 secs Computing kpt #: 159 total cpu time spent up to now is 53.5 secs Computing kpt #: 160 total cpu time spent up to now is 53.8 secs Computing kpt #: 161 total cpu time spent up to now is 54.1 secs Computing kpt #: 162 total cpu time spent up to now is 54.4 secs Computing kpt #: 163 total cpu time spent up to now is 54.7 secs Computing kpt #: 164 total cpu time spent up to now is 54.9 secs Computing kpt #: 165 total cpu time spent up to now is 55.2 secs Computing kpt #: 166 total cpu time spent up to now is 55.4 secs Computing kpt #: 167 total cpu time spent up to now is 55.7 secs Computing kpt #: 168 total cpu time spent up to now is 55.9 secs Computing kpt #: 169 total cpu time spent up to now is 56.2 secs Computing kpt #: 170 total cpu time spent up to now is 56.4 secs Computing kpt #: 171 total cpu time spent up to now is 56.7 secs Computing kpt #: 172 total cpu time spent up to now is 57.0 secs Computing kpt #: 173 total cpu time spent up to now is 57.2 secs Computing kpt #: 174 total cpu time spent up to now is 57.5 secs Computing kpt #: 175 total cpu time spent up to now is 57.7 secs Computing kpt #: 176 total cpu time spent up to now is 58.0 secs Computing kpt #: 177 total cpu time spent up to now is 58.3 secs Computing kpt #: 178 total cpu time spent up to now is 58.5 secs Computing kpt #: 179 total cpu time spent up to now is 58.8 secs Computing kpt #: 180 total cpu time spent up to now is 59.1 secs Computing kpt #: 181 total cpu time spent up to now is 59.3 secs Computing kpt #: 182 total cpu time spent up to now is 59.6 secs Computing kpt #: 183 total cpu time spent up to now is 59.8 secs Computing kpt #: 184 total cpu time spent up to now is 60.1 secs Computing kpt #: 185 total cpu time spent up to now is 60.3 secs Computing kpt #: 186 total cpu time spent up to now is 60.6 secs Computing kpt #: 187 total cpu time spent up to now is 60.8 secs Computing kpt #: 188 total cpu time spent up to now is 61.1 secs Computing kpt #: 189 total cpu time spent up to now is 61.3 secs Computing kpt #: 190 total cpu time spent up to now is 61.5 secs Computing kpt #: 191 total cpu time spent up to now is 61.8 secs Computing kpt #: 192 total cpu time spent up to now is 62.0 secs Computing kpt #: 193 total cpu time spent up to now is 62.3 secs Computing kpt #: 194 total cpu time spent up to now is 62.5 secs Computing kpt #: 195 total cpu time spent up to now is 62.8 secs Computing kpt #: 196 total cpu time spent up to now is 63.0 secs Computing kpt #: 197 total cpu time spent up to now is 63.2 secs Computing kpt #: 198 total cpu time spent up to now is 63.5 secs Computing kpt #: 199 total cpu time spent up to now is 63.7 secs Computing kpt #: 200 total cpu time spent up to now is 63.9 secs Computing kpt #: 201 total cpu time spent up to now is 64.2 secs Computing kpt #: 202 total cpu time spent up to now is 64.4 secs Computing kpt #: 203 total cpu time spent up to now is 64.6 secs Computing kpt #: 204 total cpu time spent up to now is 64.9 secs Computing kpt #: 205 total cpu time spent up to now is 65.1 secs Computing kpt #: 206 total cpu time spent up to now is 65.3 secs Computing kpt #: 207 total cpu time spent up to now is 65.6 secs Computing kpt #: 208 total cpu time spent up to now is 65.8 secs Computing kpt #: 209 total cpu time spent up to now is 66.0 secs Computing kpt #: 210 total cpu time spent up to now is 66.2 secs Computing kpt #: 211 total cpu time spent up to now is 66.5 secs Computing kpt #: 212 total cpu time spent up to now is 66.7 secs Computing kpt #: 213 total cpu time spent up to now is 66.9 secs Computing kpt #: 214 total cpu time spent up to now is 67.1 secs Computing kpt #: 215 total cpu time spent up to now is 67.4 secs Computing kpt #: 216 total cpu time spent up to now is 67.6 secs Computing kpt #: 217 total cpu time spent up to now is 67.8 secs Computing kpt #: 218 total cpu time spent up to now is 68.0 secs Computing kpt #: 219 total cpu time spent up to now is 68.3 secs Computing kpt #: 220 total cpu time spent up to now is 68.5 secs Computing kpt #: 221 total cpu time spent up to now is 68.7 secs Computing kpt #: 222 total cpu time spent up to now is 68.9 secs Computing kpt #: 223 total cpu time spent up to now is 69.1 secs Computing kpt #: 224 total cpu time spent up to now is 69.4 secs Computing kpt #: 225 total cpu time spent up to now is 69.6 secs Computing kpt #: 226 total cpu time spent up to now is 69.8 secs Computing kpt #: 227 total cpu time spent up to now is 70.0 secs Computing kpt #: 228 total cpu time spent up to now is 70.3 secs Computing kpt #: 229 total cpu time spent up to now is 70.5 secs Computing kpt #: 230 total cpu time spent up to now is 70.7 secs Computing kpt #: 231 total cpu time spent up to now is 71.0 secs Computing kpt #: 232 total cpu time spent up to now is 71.2 secs Computing kpt #: 233 total cpu time spent up to now is 71.4 secs Computing kpt #: 234 total cpu time spent up to now is 71.6 secs Computing kpt #: 235 total cpu time spent up to now is 71.9 secs Computing kpt #: 236 total cpu time spent up to now is 72.1 secs Computing kpt #: 237 total cpu time spent up to now is 72.3 secs Computing kpt #: 238 total cpu time spent up to now is 72.6 secs Computing kpt #: 239 total cpu time spent up to now is 72.8 secs Computing kpt #: 240 total cpu time spent up to now is 73.0 secs Computing kpt #: 241 total cpu time spent up to now is 73.3 secs Computing kpt #: 242 total cpu time spent up to now is 73.5 secs Computing kpt #: 243 total cpu time spent up to now is 73.7 secs Computing kpt #: 244 total cpu time spent up to now is 74.0 secs Computing kpt #: 245 total cpu time spent up to now is 74.2 secs Computing kpt #: 246 total cpu time spent up to now is 74.5 secs Computing kpt #: 247 total cpu time spent up to now is 74.7 secs Computing kpt #: 248 total cpu time spent up to now is 74.9 secs Computing kpt #: 249 total cpu time spent up to now is 75.2 secs Computing kpt #: 250 total cpu time spent up to now is 75.4 secs Computing kpt #: 251 total cpu time spent up to now is 75.7 secs Computing kpt #: 252 total cpu time spent up to now is 75.9 secs Computing kpt #: 253 total cpu time spent up to now is 76.1 secs Computing kpt #: 254 total cpu time spent up to now is 76.4 secs Computing kpt #: 255 total cpu time spent up to now is 76.6 secs Computing kpt #: 256 total cpu time spent up to now is 76.9 secs Computing kpt #: 257 total cpu time spent up to now is 77.1 secs Computing kpt #: 258 total cpu time spent up to now is 77.4 secs Computing kpt #: 259 total cpu time spent up to now is 77.6 secs Computing kpt #: 260 total cpu time spent up to now is 77.9 secs Computing kpt #: 261 total cpu time spent up to now is 78.2 secs Computing kpt #: 262 total cpu time spent up to now is 78.4 secs Computing kpt #: 263 total cpu time spent up to now is 78.7 secs Computing kpt #: 264 total cpu time spent up to now is 78.9 secs Computing kpt #: 265 total cpu time spent up to now is 79.2 secs Computing kpt #: 266 total cpu time spent up to now is 79.4 secs Computing kpt #: 267 total cpu time spent up to now is 79.7 secs Computing kpt #: 268 total cpu time spent up to now is 79.9 secs Computing kpt #: 269 total cpu time spent up to now is 80.2 secs Computing kpt #: 270 total cpu time spent up to now is 80.4 secs Computing kpt #: 271 total cpu time spent up to now is 80.7 secs Computing kpt #: 272 total cpu time spent up to now is 80.9 secs Computing kpt #: 273 total cpu time spent up to now is 81.2 secs Computing kpt #: 274 total cpu time spent up to now is 81.4 secs Computing kpt #: 275 total cpu time spent up to now is 81.7 secs Computing kpt #: 276 total cpu time spent up to now is 82.0 secs Computing kpt #: 277 total cpu time spent up to now is 82.2 secs Computing kpt #: 278 total cpu time spent up to now is 82.4 secs Computing kpt #: 279 total cpu time spent up to now is 82.7 secs Computing kpt #: 280 total cpu time spent up to now is 82.9 secs Computing kpt #: 281 total cpu time spent up to now is 83.1 secs Computing kpt #: 282 total cpu time spent up to now is 83.4 secs Computing kpt #: 283 total cpu time spent up to now is 83.6 secs Computing kpt #: 284 total cpu time spent up to now is 83.8 secs Computing kpt #: 285 total cpu time spent up to now is 84.1 secs Computing kpt #: 286 total cpu time spent up to now is 84.3 secs Computing kpt #: 287 total cpu time spent up to now is 84.5 secs Computing kpt #: 288 total cpu time spent up to now is 84.8 secs Computing kpt #: 289 total cpu time spent up to now is 85.0 secs Computing kpt #: 290 total cpu time spent up to now is 85.2 secs Computing kpt #: 291 total cpu time spent up to now is 85.5 secs Computing kpt #: 292 total cpu time spent up to now is 85.7 secs Computing kpt #: 293 total cpu time spent up to now is 85.9 secs Computing kpt #: 294 total cpu time spent up to now is 86.2 secs Computing kpt #: 295 total cpu time spent up to now is 86.4 secs Computing kpt #: 296 total cpu time spent up to now is 86.6 secs Computing kpt #: 297 total cpu time spent up to now is 86.9 secs Computing kpt #: 298 total cpu time spent up to now is 87.1 secs Computing kpt #: 299 total cpu time spent up to now is 87.3 secs Computing kpt #: 300 total cpu time spent up to now is 87.6 secs Computing kpt #: 301 total cpu time spent up to now is 87.8 secs Computing kpt #: 302 total cpu time spent up to now is 88.0 secs Computing kpt #: 303 total cpu time spent up to now is 88.2 secs Computing kpt #: 304 total cpu time spent up to now is 88.5 secs Computing kpt #: 305 total cpu time spent up to now is 88.7 secs Computing kpt #: 306 total cpu time spent up to now is 88.9 secs Computing kpt #: 307 total cpu time spent up to now is 89.1 secs Computing kpt #: 308 total cpu time spent up to now is 89.4 secs Computing kpt #: 309 total cpu time spent up to now is 89.6 secs Computing kpt #: 310 total cpu time spent up to now is 89.8 secs Computing kpt #: 311 total cpu time spent up to now is 90.0 secs Computing kpt #: 312 total cpu time spent up to now is 90.3 secs Computing kpt #: 313 total cpu time spent up to now is 90.5 secs Computing kpt #: 314 total cpu time spent up to now is 90.7 secs Computing kpt #: 315 total cpu time spent up to now is 90.9 secs Computing kpt #: 316 total cpu time spent up to now is 91.2 secs Computing kpt #: 317 total cpu time spent up to now is 91.4 secs Computing kpt #: 318 total cpu time spent up to now is 91.6 secs Computing kpt #: 319 total cpu time spent up to now is 91.8 secs Computing kpt #: 320 total cpu time spent up to now is 92.1 secs Computing kpt #: 321 total cpu time spent up to now is 92.3 secs Computing kpt #: 322 total cpu time spent up to now is 92.5 secs ethr = 2.38E-08, avg # of iterations = 16.4 total cpu time spent up to now is 92.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): -24.3036 -24.3036 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2114 -9.2114 -9.1615 -9.1615 -6.4719 -6.4719 -6.1604 -6.1604 -6.1604 -6.1604 -6.1325 -6.1325 -5.4513 -5.4513 -5.4513 -5.4513 6.8458 6.8458 8.1472 8.1472 8.2880 8.2880 8.2880 8.2880 9.6570 9.6570 9.6570 9.6570 9.6736 9.6736 11.9216 11.9216 12.0110 12.0110 12.0110 12.0110 18.2735 18.2735 18.9716 18.9716 18.9717 18.9723 k = 0.0000 0.0119-0.0000 ( 2103 PWs) bands (ev): -24.3036 -24.3036 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2114 -9.2114 -9.1615 -9.1615 -6.4803 -6.4803 -6.2098 -6.2098 -6.1603 -6.1603 -6.0864 -6.0864 -5.4513 -5.4513 -5.4373 -5.4373 6.8376 6.8376 8.1503 8.1503 8.2881 8.2881 8.2942 8.2942 9.6562 9.6562 9.6563 9.6563 9.6728 9.6728 11.9198 11.9198 12.0076 12.0076 12.0109 12.0109 18.2665 18.2665 18.9644 18.9645 18.9712 18.9712 k = 0.0000 0.0238-0.0000 ( 2103 PWs) bands (ev): -24.3034 -24.3034 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2113 -9.2113 -9.1616 -9.1616 -6.5083 -6.5083 -6.2645 -6.2645 -6.1600 -6.1600 -6.0380 -6.0380 -5.4514 -5.4514 -5.3965 -5.3965 6.8137 6.8137 8.1582 8.1582 8.2884 8.2884 8.3135 8.3135 9.6538 9.6538 9.6541 9.6541 9.6705 9.6705 11.9137 11.9137 11.9983 11.9983 12.0106 12.0106 18.2459 18.2459 18.9360 18.9360 18.9628 18.9628 k = 0.0000 0.0357-0.0000 ( 2103 PWs) bands (ev): -24.3031 -24.3031 -10.2308 -10.2308 -10.2307 -10.2307 -9.2114 -9.2114 -9.2112 -9.2112 -9.1617 -9.1617 -6.5602 -6.5602 -6.3040 -6.3040 -6.1595 -6.1595 -6.0003 -6.0003 -5.4515 -5.4515 -5.3319 -5.3319 6.7759 6.7759 8.1674 8.1674 8.2889 8.2889 8.3475 8.3475 9.6499 9.6499 9.6504 9.6504 9.6667 9.6667 11.9007 11.9007 11.9857 11.9857 12.0102 12.0102 18.2128 18.2128 18.8989 18.8989 18.9310 18.9310 k = 0.0000 0.0476-0.0000 ( 2103 PWs) bands (ev): -24.3026 -24.3026 -10.2308 -10.2308 -10.2307 -10.2307 -9.2114 -9.2114 -9.2111 -9.2111 -9.1619 -9.1619 -6.6333 -6.6333 -6.3273 -6.3273 -6.1588 -6.1588 -5.9725 -5.9725 -5.4517 -5.4517 -5.2483 -5.2483 6.7264 6.7264 8.1755 8.1755 8.2896 8.2896 8.3965 8.3965 9.6444 9.6444 9.6454 9.6454 9.6614 9.6614 11.8773 11.8773 11.9737 11.9737 12.0096 12.0096 18.1684 18.1684 18.8597 18.8597 18.8737 18.8737 k = 0.0000 0.0595-0.0000 ( 2087 PWs) bands (ev): -24.3020 -24.3020 -10.2308 -10.2308 -10.2306 -10.2306 -9.2115 -9.2115 -9.2109 -9.2109 -9.1622 -9.1622 -6.7195 -6.7195 -6.3398 -6.3398 -6.1579 -6.1579 -5.9522 -5.9522 -5.4519 -5.4519 -5.1501 -5.1501 6.6677 6.6677 8.1818 8.1818 8.2905 8.2905 8.4586 8.4586 9.6375 9.6375 9.6389 9.6389 9.6548 9.6548 11.8412 11.8412 11.9649 11.9649 12.0088 12.0088 18.1136 18.1136 18.8005 18.8005 18.8198 18.8198 k = 0.0000 0.0714-0.0000 ( 2079 PWs) bands (ev): -24.3013 -24.3013 -10.2307 -10.2307 -10.2305 -10.2305 -9.2115 -9.2115 -9.2107 -9.2107 -9.1625 -9.1625 -6.8127 -6.8127 -6.3466 -6.3466 -6.1568 -6.1568 -5.9372 -5.9372 -5.4522 -5.4522 -5.0414 -5.0414 6.6020 6.6020 8.1867 8.1867 8.2914 8.2914 8.5310 8.5310 9.6293 9.6293 9.6311 9.6311 9.6468 9.6468 11.7931 11.7931 11.9588 11.9588 12.0079 12.0079 18.0488 18.0488 18.7191 18.7191 18.7796 18.7796 k = 0.0000 0.0833-0.0000 ( 2080 PWs) bands (ev): -24.3005 -24.3005 -10.2307 -10.2307 -10.2305 -10.2305 -9.2116 -9.2116 -9.2104 -9.2104 -9.1628 -9.1628 -6.9091 -6.9091 -6.3503 -6.3503 -6.1556 -6.1556 -5.9257 -5.9257 -5.4525 -5.4525 -4.9252 -4.9252 6.5312 6.5312 8.1906 8.1906 8.2925 8.2925 8.6115 8.6115 9.6198 9.6198 9.6221 9.6221 9.6376 9.6376 11.7346 11.7346 11.9546 11.9546 12.0069 12.0069 17.9741 17.9741 18.6348 18.6348 18.7392 18.7392 k = 0.0000 0.0952-0.0000 ( 2080 PWs) bands (ev): -24.2996 -24.2996 -10.2307 -10.2307 -10.2303 -10.2303 -9.2117 -9.2117 -9.2101 -9.2101 -9.1632 -9.1632 -7.0065 -7.0065 -6.3521 -6.3521 -6.1541 -6.1541 -5.9165 -5.9165 -5.4529 -5.4529 -4.8033 -4.8033 6.4567 6.4567 8.1939 8.1939 8.2935 8.2935 8.6979 8.6979 9.6091 9.6091 9.6118 9.6118 9.6273 9.6273 11.6671 11.6671 11.9513 11.9513 12.0057 12.0057 17.8898 17.8898 18.5508 18.5508 18.6987 18.6987 k = 0.0000 0.1071-0.0000 ( 2080 PWs) bands (ev): -24.2986 -24.2986 -10.2307 -10.2307 -10.2302 -10.2302 -9.2118 -9.2118 -9.2098 -9.2098 -9.1636 -9.1636 -7.1039 -7.1039 -6.3528 -6.3528 -6.1526 -6.1526 -5.9087 -5.9087 -5.4533 -5.4533 -4.6772 -4.6772 6.3797 6.3797 8.1968 8.1968 8.2946 8.2946 8.7887 8.7887 9.5974 9.5974 9.6005 9.6005 9.6160 9.6160 11.5918 11.5918 11.9485 11.9485 12.0045 12.0045 17.7958 17.7958 18.4695 18.4695 18.6579 18.6579 k = 0.0000 0.1190-0.0000 ( 2072 PWs) bands (ev): -24.2974 -24.2974 -10.2307 -10.2307 -10.2301 -10.2301 -9.2120 -9.2120 -9.2095 -9.2095 -9.1641 -9.1641 -7.2004 -7.2004 -6.3526 -6.3526 -6.1508 -6.1508 -5.9019 -5.9019 -5.4537 -5.4537 -4.5479 -4.5479 6.3013 6.3013 8.1993 8.1993 8.2956 8.2956 8.8825 8.8825 9.5849 9.5849 9.5881 9.5881 9.6038 9.6038 11.5096 11.5096 11.9461 11.9461 12.0031 12.0031 17.6928 17.6928 18.3919 18.3919 18.6168 18.6169 k = 0.0000 0.1310-0.0000 ( 2072 PWs) bands (ev): -24.2962 -24.2962 -10.2306 -10.2306 -10.2300 -10.2300 -9.2122 -9.2122 -9.2091 -9.2091 -9.1646 -9.1646 -7.2954 -7.2954 -6.3520 -6.3520 -6.1489 -6.1489 -5.8957 -5.8957 -5.4542 -5.4542 -4.4161 -4.4161 6.2221 6.2221 8.2015 8.2015 8.2966 8.2966 8.9783 8.9783 9.5717 9.5717 9.5750 9.5750 9.5908 9.5908 11.4215 11.4215 11.9438 11.9438 12.0017 12.0017 17.5817 17.5817 18.3185 18.3185 18.5754 18.5754 k = 0.0000 0.1429-0.0000 ( 2060 PWs) bands (ev): -24.2949 -24.2949 -10.2306 -10.2306 -10.2298 -10.2298 -9.2124 -9.2124 -9.2087 -9.2087 -9.1651 -9.1651 -7.3887 -7.3887 -6.3509 -6.3509 -6.1469 -6.1469 -5.8899 -5.8899 -5.4548 -5.4548 -4.2825 -4.2825 6.1427 6.1427 8.2035 8.2035 8.2973 8.2973 9.0748 9.0748 9.5579 9.5579 9.5612 9.5612 9.5770 9.5770 11.3288 11.3288 11.9417 11.9417 12.0003 12.0003 17.4636 17.4636 18.2491 18.2491 18.5337 18.5337 k = 0.0000 0.1548-0.0000 ( 2064 PWs) bands (ev): -24.2935 -24.2935 -10.2306 -10.2306 -10.2297 -10.2297 -9.2127 -9.2127 -9.2083 -9.2083 -9.1657 -9.1657 -7.4799 -7.4799 -6.3495 -6.3495 -6.1447 -6.1447 -5.8843 -5.8843 -5.4553 -5.4553 -4.1475 -4.1475 6.0636 6.0636 8.2052 8.2052 8.2978 8.2978 9.1710 9.1710 9.5438 9.5438 9.5468 9.5468 9.5626 9.5626 11.2328 11.2328 11.9396 11.9396 11.9988 11.9988 17.3396 17.3396 18.1833 18.1833 18.4916 18.4916 k = 0.0000 0.1667-0.0000 ( 2068 PWs) bands (ev): -24.2920 -24.2920 -10.2306 -10.2306 -10.2295 -10.2295 -9.2132 -9.2132 -9.2078 -9.2078 -9.1663 -9.1663 -7.5689 -7.5689 -6.3479 -6.3479 -6.1425 -6.1425 -5.8790 -5.8790 -5.4559 -5.4559 -4.0115 -4.0115 5.9852 5.9852 8.2066 8.2066 8.2980 8.2980 9.2655 9.2655 9.5295 9.5295 9.5320 9.5320 9.5477 9.5477 11.1349 11.1349 11.9375 11.9375 11.9973 11.9973 17.2109 17.2109 18.1205 18.1205 18.4491 18.4491 k = 0.0000 0.1786-0.0000 ( 2056 PWs) bands (ev): -24.2905 -24.2905 -10.2306 -10.2306 -10.2293 -10.2293 -9.2137 -9.2137 -9.2074 -9.2074 -9.1669 -9.1669 -7.6554 -7.6554 -6.3461 -6.3461 -6.1401 -6.1401 -5.8736 -5.8736 -5.4565 -5.4565 -3.8749 -3.8749 5.9078 5.9078 8.2076 8.2076 8.2979 8.2979 9.3562 9.3562 9.5154 9.5154 9.5170 9.5170 9.5324 9.5324 11.0373 11.0373 11.9356 11.9356 11.9958 11.9958 17.0785 17.0785 18.0604 18.0604 18.4065 18.4065 k = 0.0000 0.1905-0.0000 ( 2056 PWs) bands (ev): -24.2889 -24.2889 -10.2307 -10.2307 -10.2291 -10.2291 -9.2143 -9.2143 -9.2069 -9.2069 -9.1675 -9.1675 -7.7393 -7.7393 -6.3441 -6.3441 -6.1376 -6.1376 -5.8683 -5.8683 -5.4572 -5.4572 -3.7380 -3.7380 5.8318 5.8318 8.2083 8.2083 8.2974 8.2974 9.4395 9.4395 9.5017 9.5017 9.5032 9.5032 9.5170 9.5170 10.9426 10.9426 11.9337 11.9337 11.9943 11.9943 16.9432 16.9432 18.0024 18.0024 18.3636 18.3636 k = 0.0000 0.2024-0.0000 ( 2064 PWs) bands (ev): -24.2873 -24.2873 -10.2307 -10.2307 -10.2290 -10.2290 -9.2150 -9.2150 -9.2065 -9.2065 -9.1681 -9.1681 -7.8204 -7.8204 -6.3421 -6.3421 -6.1351 -6.1351 -5.8631 -5.8631 -5.4578 -5.4578 -3.6012 -3.6012 5.7572 5.7572 8.2085 8.2085 8.2964 8.2964 9.4795 9.4795 9.4863 9.4863 9.5016 9.5016 9.5254 9.5254 10.8547 10.8547 11.9318 11.9318 11.9928 11.9928 16.8059 16.8059 17.9462 17.9462 18.3206 18.3206 k = 0.0000 0.2143-0.0000 ( 2060 PWs) bands (ev): -24.2856 -24.2856 -10.2308 -10.2308 -10.2288 -10.2288 -9.2158 -9.2158 -9.2060 -9.2060 -9.1688 -9.1688 -7.8987 -7.8987 -6.3398 -6.3398 -6.1326 -6.1326 -5.8579 -5.8579 -5.4585 -5.4585 -3.4647 -3.4647 5.6845 5.6845 8.2083 8.2083 8.2949 8.2949 9.4691 9.4691 9.4707 9.4707 9.4865 9.4865 9.5848 9.5848 10.7786 10.7786 11.9300 11.9300 11.9913 11.9913 16.6670 16.6670 17.8918 17.8918 18.2777 18.2777 k = 0.0000 0.2262-0.0000 ( 2060 PWs) bands (ev): -24.2839 -24.2839 -10.2308 -10.2308 -10.2286 -10.2286 -9.2169 -9.2169 -9.2056 -9.2056 -9.1694 -9.1694 -7.9741 -7.9741 -6.3376 -6.3376 -6.1299 -6.1299 -5.8526 -5.8526 -5.4592 -5.4592 -3.3289 -3.3289 5.6137 5.6137 8.2075 8.2075 8.2929 8.2929 9.4549 9.4549 9.4563 9.4563 9.4720 9.4720 9.6273 9.6273 10.7209 10.7209 11.9282 11.9282 11.9899 11.9899 16.5270 16.5270 17.8388 17.8388 18.2349 18.2349 k = 0.0000 0.2381-0.0000 ( 2068 PWs) bands (ev): -24.2822 -24.2822 -10.2309 -10.2309 -10.2284 -10.2284 -9.2180 -9.2180 -9.2051 -9.2051 -9.1700 -9.1700 -8.0464 -8.0464 -6.3353 -6.3353 -6.1273 -6.1273 -5.8474 -5.8474 -5.4599 -5.4599 -3.1941 -3.1941 5.5450 5.5450 8.2063 8.2063 8.2903 8.2903 9.4388 9.4388 9.4435 9.4435 9.4583 9.4583 9.6442 9.6442 10.6885 10.6885 11.9265 11.9265 11.9885 11.9885 16.3864 16.3864 17.7872 17.7872 18.1924 18.1924 k = 0.0000 0.2500-0.0000 ( 2076 PWs) bands (ev): -24.2804 -24.2804 -10.2310 -10.2310 -10.2282 -10.2282 -9.2194 -9.2194 -9.2047 -9.2047 -9.1706 -9.1706 -8.1157 -8.1157 -6.3329 -6.3329 -6.1247 -6.1247 -5.8423 -5.8423 -5.4606 -5.4606 -3.0607 -3.0607 5.4785 5.4785 8.2045 8.2045 8.2872 8.2872 9.4226 9.4226 9.4313 9.4313 9.4455 9.4455 9.6309 9.6309 10.6860 10.6860 11.9249 11.9249 11.9872 11.9872 16.2455 16.2455 17.7370 17.7370 18.1503 18.1503 k = 0.0000 0.2619-0.0000 ( 2068 PWs) bands (ev): -24.2787 -24.2787 -10.2311 -10.2311 -10.2280 -10.2280 -9.2210 -9.2210 -9.2042 -9.2042 -9.1712 -9.1712 -8.1817 -8.1817 -6.3305 -6.3305 -6.1220 -6.1220 -5.8372 -5.8372 -5.4613 -5.4613 -2.9288 -2.9288 5.4145 5.4145 8.2022 8.2022 8.2836 8.2836 9.4062 9.4062 9.4196 9.4196 9.4338 9.4338 9.5885 9.5885 10.7132 10.7132 11.9234 11.9234 11.9859 11.9859 16.1046 16.1046 17.6883 17.6883 18.1088 18.1088 k = 0.0000 0.2738-0.0000 ( 2060 PWs) bands (ev): -24.2769 -24.2769 -10.2312 -10.2312 -10.2278 -10.2278 -9.2229 -9.2229 -9.2038 -9.2038 -9.1718 -9.1718 -8.2443 -8.2443 -6.3281 -6.3281 -6.1193 -6.1193 -5.8321 -5.8321 -5.4620 -5.4620 -2.7991 -2.7991 5.3529 5.3529 8.1993 8.1993 8.2794 8.2794 9.3899 9.3899 9.4081 9.4081 9.4231 9.4231 9.5226 9.5226 10.7653 10.7653 11.9219 11.9219 11.9847 11.9847 15.9639 15.9639 17.6410 17.6410 18.0680 18.0680 k = 0.0000 0.2857-0.0000 ( 2060 PWs) bands (ev): -24.2752 -24.2752 -10.2314 -10.2314 -10.2276 -10.2276 -9.2249 -9.2249 -9.2034 -9.2034 -9.1723 -9.1723 -8.3037 -8.3037 -6.3257 -6.3257 -6.1167 -6.1167 -5.8271 -5.8271 -5.4627 -5.4627 -2.6719 -2.6719 5.2940 5.2940 8.1960 8.1960 8.2746 8.2746 9.3738 9.3738 9.3935 9.3935 9.4134 9.4134 9.4431 9.4431 10.8360 10.8360 11.9206 11.9206 11.9835 11.9835 15.8238 15.8238 17.5952 17.5952 18.0281 18.0281 k = 0.0000 0.2976-0.0000 ( 2060 PWs) bands (ev): -24.2735 -24.2735 -10.2316 -10.2316 -10.2275 -10.2275 -9.2273 -9.2273 -9.2031 -9.2031 -9.1728 -9.1728 -8.3597 -8.3597 -6.3233 -6.3233 -6.1141 -6.1141 -5.8222 -5.8222 -5.4634 -5.4634 -2.5475 -2.5475 5.2378 5.2378 8.1922 8.1922 8.2695 8.2695 9.3337 9.3337 9.3579 9.3579 9.3984 9.3984 9.4047 9.4047 10.9198 10.9198 11.9193 11.9193 11.9825 11.9825 15.6844 15.6844 17.5510 17.5510 17.9893 17.9893 k = 0.0000 0.3095-0.0000 ( 2056 PWs) bands (ev): -24.2719 -24.2719 -10.2317 -10.2317 -10.2273 -10.2273 -9.2299 -9.2299 -9.2027 -9.2027 -9.1733 -9.1733 -8.4122 -8.4122 -6.3210 -6.3210 -6.1116 -6.1116 -5.8174 -5.8174 -5.4641 -5.4641 -2.4264 -2.4264 5.1845 5.1845 8.1880 8.1880 8.2639 8.2639 9.2346 9.2346 9.3425 9.3425 9.3873 9.3873 9.3971 9.3971 11.0126 11.0126 11.9181 11.9181 11.9814 11.9814 15.5460 15.5460 17.5086 17.5086 17.9517 17.9517 k = 0.0000 0.3214-0.0000 ( 2060 PWs) bands (ev): -24.2703 -24.2703 -10.2319 -10.2319 -10.2271 -10.2271 -9.2328 -9.2328 -9.2024 -9.2024 -9.1737 -9.1737 -8.4612 -8.4612 -6.3188 -6.3188 -6.1092 -6.1092 -5.8128 -5.8128 -5.4647 -5.4647 -2.3090 -2.3090 5.1340 5.1340 8.1835 8.1835 8.2580 8.2580 9.1296 9.1296 9.3275 9.3275 9.3795 9.3795 9.3904 9.3904 11.1114 11.1114 11.9169 11.9169 11.9805 11.9805 15.4088 15.4088 17.4679 17.4679 17.9154 17.9154 k = 0.0000 0.3333-0.0000 ( 2056 PWs) bands (ev): -24.2687 -24.2687 -10.2321 -10.2321 -10.2270 -10.2270 -9.2360 -9.2360 -9.2021 -9.2021 -9.1741 -9.1741 -8.5067 -8.5067 -6.3166 -6.3166 -6.1068 -6.1068 -5.8084 -5.8084 -5.4653 -5.4653 -2.1958 -2.1958 5.0866 5.0866 8.1787 8.1787 8.2519 8.2519 9.0234 9.0234 9.3132 9.3132 9.3732 9.3732 9.3846 9.3846 11.2142 11.2142 11.9159 11.9159 11.9796 11.9796 15.2731 15.2731 17.4292 17.4292 17.8807 17.8807 k = 0.0000 0.3452-0.0000 ( 2068 PWs) bands (ev): -24.2672 -24.2672 -10.2323 -10.2323 -10.2268 -10.2268 -9.2394 -9.2394 -9.2019 -9.2019 -9.1745 -9.1745 -8.5488 -8.5488 -6.3145 -6.3145 -6.1046 -6.1046 -5.8041 -5.8041 -5.4660 -5.4660 -2.0873 -2.0873 5.0422 5.0422 8.1737 8.1737 8.2456 8.2456 8.9180 8.9180 9.2995 9.2995 9.3679 9.3679 9.3797 9.3797 11.3196 11.3196 11.9149 11.9149 11.9788 11.9788 15.1391 15.1391 17.3926 17.3926 17.8477 17.8477 k = 0.0000 0.3571-0.0000 ( 2060 PWs) bands (ev): -24.2658 -24.2658 -10.2326 -10.2326 -10.2267 -10.2267 -9.2431 -9.2431 -9.2017 -9.2017 -9.1748 -9.1748 -8.5873 -8.5873 -6.3125 -6.3125 -6.1024 -6.1024 -5.8001 -5.8001 -5.4665 -5.4665 -1.9838 -1.9838 5.0009 5.0009 8.1686 8.1686 8.2393 8.2393 8.8152 8.8152 9.2865 9.2865 9.3634 9.3634 9.3756 9.3756 11.4265 11.4265 11.9140 11.9140 11.9781 11.9781 15.0072 15.0072 17.3581 17.3581 17.8164 17.8164 k = 0.0000 0.3690-0.0000 ( 2060 PWs) bands (ev): -24.2645 -24.2645 -10.2328 -10.2328 -10.2265 -10.2265 -9.2470 -9.2470 -9.2015 -9.2015 -9.1751 -9.1751 -8.6222 -8.6222 -6.3106 -6.3106 -6.1004 -6.1004 -5.7962 -5.7962 -5.4671 -5.4671 -1.8861 -1.8861 4.9628 4.9628 8.1634 8.1634 8.2330 8.2330 8.7162 8.7162 9.2743 9.2743 9.3597 9.3597 9.3722 9.3722 11.5338 11.5338 11.9132 11.9132 11.9774 11.9774 14.8778 14.8778 17.3258 17.3258 17.7871 17.7871 k = 0.0000 0.3810-0.0000 ( 2060 PWs) bands (ev): -24.2632 -24.2632 -10.2330 -10.2330 -10.2264 -10.2264 -9.2510 -9.2510 -9.2014 -9.2014 -9.1754 -9.1754 -8.6537 -8.6537 -6.3088 -6.3088 -6.0985 -6.0985 -5.7927 -5.7927 -5.4676 -5.4676 -1.7946 -1.7946 4.9279 4.9279 8.1584 8.1584 8.2269 8.2269 8.6221 8.6221 9.2630 9.2630 9.3567 9.3567 9.3694 9.3694 11.6408 11.6408 11.9125 11.9125 11.9768 11.9768 14.7514 14.7514 17.2960 17.2960 17.7599 17.7599 k = 0.0000 0.3929-0.0000 ( 2060 PWs) bands (ev): -24.2621 -24.2621 -10.2332 -10.2332 -10.2263 -10.2263 -9.2551 -9.2551 -9.2012 -9.2012 -9.1756 -9.1756 -8.6818 -8.6818 -6.3072 -6.3072 -6.0967 -6.0967 -5.7894 -5.7894 -5.4680 -5.4680 -1.7098 -1.7098 4.8963 4.8963 8.1535 8.1535 8.2210 8.2210 8.5339 8.5339 9.2525 9.2525 9.3543 9.3543 9.3672 9.3672 11.7466 11.7466 11.9119 11.9119 11.9762 11.9762 14.6285 14.6285 17.2686 17.2686 17.7349 17.7349 k = 0.0000 0.4048-0.0000 ( 2064 PWs) bands (ev): -24.2610 -24.2610 -10.2334 -10.2334 -10.2262 -10.2262 -9.2592 -9.2592 -9.2011 -9.2011 -9.1758 -9.1758 -8.7065 -8.7065 -6.3057 -6.3057 -6.0951 -6.0951 -5.7864 -5.7864 -5.4685 -5.4685 -1.6323 -1.6323 4.8679 4.8679 8.1488 8.1488 8.2154 8.2154 8.4525 8.4525 9.2431 9.2431 9.3523 9.3523 9.3655 9.3655 11.8501 11.8501 11.9113 11.9113 11.9757 11.9757 14.5100 14.5100 17.2439 17.2439 17.7123 17.7123 k = 0.0000 0.4167-0.0000 ( 2064 PWs) bands (ev): -24.2601 -24.2601 -10.2336 -10.2336 -10.2261 -10.2261 -9.2631 -9.2631 -9.2010 -9.2010 -9.1759 -9.1759 -8.7280 -8.7280 -6.3044 -6.3044 -6.0937 -6.0937 -5.7837 -5.7837 -5.4688 -5.4688 -1.5624 -1.5624 4.8429 4.8429 8.1445 8.1445 8.2103 8.2103 8.3787 8.3787 9.2346 9.2346 9.3508 9.3508 9.3642 9.3642 11.9106 11.9106 11.9504 11.9504 11.9753 11.9753 14.3968 14.3968 17.2218 17.2218 17.6920 17.6920 k = 0.0000 0.4286-0.0000 ( 2064 PWs) bands (ev): -24.2593 -24.2593 -10.2338 -10.2338 -10.2260 -10.2260 -9.2669 -9.2669 -9.2010 -9.2010 -9.1760 -9.1760 -8.7463 -8.7463 -6.3032 -6.3032 -6.0925 -6.0925 -5.7813 -5.7813 -5.4692 -5.4692 -1.5008 -1.5008 4.8212 4.8212 8.1405 8.1405 8.2057 8.2057 8.3132 8.3132 9.2272 9.2272 9.3497 9.3497 9.3632 9.3632 11.9103 11.9103 11.9749 11.9749 12.0456 12.0456 14.2905 14.2905 17.2025 17.2025 17.6742 17.6742 k = 0.0000 0.4405-0.0000 ( 2076 PWs) bands (ev): -24.2586 -24.2586 -10.2339 -10.2339 -10.2259 -10.2259 -9.2703 -9.2703 -9.2009 -9.2009 -9.1761 -9.1761 -8.7616 -8.7616 -6.3023 -6.3023 -6.0915 -6.0915 -5.7793 -5.7793 -5.4695 -5.4695 -1.4478 -1.4478 4.8029 4.8029 8.1371 8.1371 8.2016 8.2016 8.2566 8.2566 9.2209 9.2209 9.3489 9.3489 9.3625 9.3625 11.9099 11.9099 11.9746 11.9746 12.1341 12.1341 14.1927 14.1927 17.1860 17.1860 17.6591 17.6591 k = 0.0000 0.4524-0.0000 ( 2076 PWs) bands (ev): -24.2580 -24.2580 -10.2341 -10.2341 -10.2258 -10.2258 -9.2733 -9.2733 -9.2009 -9.2009 -9.1762 -9.1762 -8.7739 -8.7739 -6.3015 -6.3015 -6.0906 -6.0906 -5.7777 -5.7777 -5.4697 -5.4697 -1.4038 -1.4038 4.7878 4.7878 8.1342 8.1342 8.1982 8.1982 8.2095 8.2095 9.2157 9.2157 9.3483 9.3483 9.3620 9.3620 11.9096 11.9096 11.9744 11.9744 12.2134 12.2134 14.1058 14.1058 17.1724 17.1724 17.6466 17.6466 k = 0.0000 0.4643-0.0000 ( 2080 PWs) bands (ev): -24.2576 -24.2576 -10.2342 -10.2342 -10.2258 -10.2258 -9.2757 -9.2757 -9.2009 -9.2009 -9.1763 -9.1763 -8.7834 -8.7834 -6.3009 -6.3009 -6.0899 -6.0899 -5.7763 -5.7763 -5.4699 -5.4699 -1.3693 -1.3693 4.7761 4.7761 8.1318 8.1318 8.1724 8.1724 8.1955 8.1955 9.2116 9.2116 9.3479 9.3479 9.3617 9.3617 11.9094 11.9094 11.9742 11.9742 12.2806 12.2806 14.0328 14.0328 17.1618 17.1618 17.6368 17.6368 k = 0.0000 0.4762-0.0000 ( 2088 PWs) bands (ev): -24.2572 -24.2572 -10.2343 -10.2343 -10.2258 -10.2258 -9.2775 -9.2775 -9.2009 -9.2009 -9.1763 -9.1763 -8.7902 -8.7902 -6.3004 -6.3004 -6.0894 -6.0894 -5.7754 -5.7754 -5.4700 -5.4700 -1.3444 -1.3444 4.7678 4.7678 8.1301 8.1301 8.1457 8.1457 8.1935 8.1935 9.2087 9.2087 9.3476 9.3476 9.3615 9.3615 11.9092 11.9092 11.9740 11.9740 12.3323 12.3323 13.9769 13.9769 17.1542 17.1542 17.6297 17.6297 k = 0.0000 0.4881-0.0000 ( 2088 PWs) bands (ev): -24.2570 -24.2570 -10.2343 -10.2343 -10.2257 -10.2257 -9.2787 -9.2787 -9.2009 -9.2009 -9.1763 -9.1763 -8.7942 -8.7942 -6.3001 -6.3001 -6.0891 -6.0891 -5.7749 -5.7749 -5.4701 -5.4701 -1.3294 -1.3294 4.7628 4.7628 8.1278 8.1278 8.1307 8.1307 8.1923 8.1923 9.2069 9.2069 9.3474 9.3474 9.3614 9.3614 11.9091 11.9091 11.9739 11.9739 12.3651 12.3651 13.9416 13.9416 17.1496 17.1496 17.6255 17.6255 k = 0.0000 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2570 -24.2570 -10.2343 -10.2343 -10.2257 -10.2257 -9.2790 -9.2790 -9.2009 -9.2009 -9.1763 -9.1763 -8.7955 -8.7955 -6.3000 -6.3000 -6.0890 -6.0890 -5.7747 -5.7747 -5.4701 -5.4701 -1.3244 -1.3244 4.7611 4.7611 8.1235 8.1235 8.1292 8.1292 8.1919 8.1919 9.2063 9.2063 9.3474 9.3474 9.3613 9.3613 11.9091 11.9091 11.9739 11.9739 12.3764 12.3764 13.9296 13.9296 17.1481 17.1481 17.6241 17.6241 k = 0.0000 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2570 -24.2570 -10.2343 -10.2343 -10.2257 -10.2257 -9.2790 -9.2790 -9.2009 -9.2009 -9.1763 -9.1763 -8.7955 -8.7955 -6.3000 -6.3000 -6.0890 -6.0890 -5.7747 -5.7747 -5.4701 -5.4701 -1.3244 -1.3244 4.7611 4.7611 8.1235 8.1235 8.1292 8.1292 8.1919 8.1919 9.2063 9.2063 9.3474 9.3474 9.3613 9.3613 11.9091 11.9091 11.9739 11.9739 12.3764 12.3764 13.9296 13.9296 17.1481 17.1481 17.6241 17.6241 k = 0.0119 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2569 -24.2569 -10.2343 -10.2343 -10.2257 -10.2257 -9.2789 -9.2789 -9.2009 -9.2009 -9.1764 -9.1764 -8.7955 -8.7955 -6.3122 -6.3122 -6.1055 -6.1055 -5.7556 -5.7556 -5.4584 -5.4584 -1.3243 -1.3243 4.7597 4.7597 8.1235 8.1235 8.1283 8.1283 8.1909 8.1909 9.2113 9.2113 9.3455 9.3455 9.3596 9.3596 11.9062 11.9062 11.9712 11.9712 12.3749 12.3749 13.9338 13.9338 17.1462 17.1462 17.6221 17.6221 k = 0.0238 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2567 -24.2567 -10.2343 -10.2343 -10.2257 -10.2257 -9.2785 -9.2785 -9.2008 -9.2008 -9.1764 -9.1764 -8.7956 -8.7956 -6.3518 -6.3518 -6.1363 -6.1363 -5.7164 -5.7164 -5.4208 -5.4208 -1.3242 -1.3242 4.7554 4.7554 8.1227 8.1227 8.1256 8.1256 8.1883 8.1883 9.2259 9.2259 9.3395 9.3395 9.3549 9.3549 11.8962 11.8962 11.9643 11.9643 12.3706 12.3706 13.9464 13.9464 17.1406 17.1406 17.6160 17.6160 k = 0.0357 0.5000-0.0000 ( 2084 PWs) bands (ev): -24.2564 -24.2564 -10.2342 -10.2342 -10.2257 -10.2257 -9.2780 -9.2780 -9.2008 -9.2008 -9.1766 -9.1766 -8.7958 -8.7958 -6.4192 -6.4192 -6.1593 -6.1593 -5.6811 -5.6811 -5.3549 -5.3549 -1.3239 -1.3239 4.7483 4.7483 8.1170 8.1170 8.1245 8.1245 8.1859 8.1859 9.2496 9.2496 9.3282 9.3282 9.3484 9.3484 11.8762 11.8762 11.9565 11.9565 12.3635 12.3635 13.9672 13.9672 17.1312 17.1312 17.6060 17.6060 k = 0.0476 0.5000-0.0000 ( 2084 PWs) bands (ev): -24.2560 -24.2560 -10.2341 -10.2341 -10.2257 -10.2257 -9.2771 -9.2771 -9.2008 -9.2008 -9.1767 -9.1767 -8.7960 -8.7960 -6.5056 -6.5056 -6.1722 -6.1722 -5.6569 -5.6569 -5.2649 -5.2649 -1.3235 -1.3235 4.7385 4.7385 8.1057 8.1057 8.1245 8.1245 8.1854 8.1854 9.2810 9.2810 9.3116 9.3116 9.3408 9.3408 11.8440 11.8440 11.9501 11.9501 12.3535 12.3535 13.9959 13.9959 17.1183 17.1183 17.5921 17.5921 k = 0.0595 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2554 -24.2554 -10.2340 -10.2340 -10.2256 -10.2256 -9.2760 -9.2760 -9.2008 -9.2008 -9.1769 -9.1769 -8.7963 -8.7963 -6.6018 -6.6018 -6.1791 -6.1791 -5.6412 -5.6412 -5.1584 -5.1584 -1.3229 -1.3229 4.7259 4.7259 8.0899 8.0899 8.1246 8.1246 8.1876 8.1876 9.2883 9.2883 9.3194 9.3194 9.3336 9.3336 11.7998 11.7998 11.9454 11.9454 12.3408 12.3408 14.0321 14.0321 17.1019 17.1019 17.5744 17.5744 k = 0.0714 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2547 -24.2547 -10.2338 -10.2338 -10.2256 -10.2256 -9.2748 -9.2748 -9.2008 -9.2008 -9.1772 -9.1772 -8.7966 -8.7966 -6.7023 -6.7023 -6.1828 -6.1828 -5.6303 -5.6303 -5.0418 -5.0418 -1.3223 -1.3223 4.7107 4.7107 8.0709 8.0709 8.1249 8.1249 8.1922 8.1922 9.2621 9.2621 9.3194 9.3194 9.3676 9.3676 11.7445 11.7445 11.9418 11.9418 12.3253 12.3253 14.0754 14.0754 17.0821 17.0821 17.5532 17.5532 k = 0.0833 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2540 -24.2540 -10.2337 -10.2337 -10.2256 -10.2256 -9.2732 -9.2732 -9.2008 -9.2008 -9.1775 -9.1775 -8.7970 -8.7970 -6.8044 -6.8044 -6.1849 -6.1849 -5.6220 -5.6220 -4.9186 -4.9186 -1.3216 -1.3216 4.6930 4.6930 8.0499 8.0499 8.1252 8.1252 8.1990 8.1990 9.2313 9.2313 9.3074 9.3074 9.4176 9.4176 11.6793 11.6793 11.9388 11.9388 12.3071 12.3071 14.1252 14.1252 17.0592 17.0592 17.5285 17.5285 k = 0.0952 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2531 -24.2531 -10.2335 -10.2335 -10.2255 -10.2255 -9.2715 -9.2715 -9.2008 -9.2008 -9.1778 -9.1778 -8.7975 -8.7975 -6.9065 -6.9065 -6.1860 -6.1860 -5.6150 -5.6150 -4.7910 -4.7910 -1.3208 -1.3208 4.6729 4.6729 8.0279 8.0279 8.1254 8.1254 8.2075 8.2075 9.1967 9.1967 9.2935 9.2935 9.4721 9.4721 11.6051 11.6051 11.9360 11.9360 12.2864 12.2864 14.1811 14.1811 17.0333 17.0333 17.5006 17.5006 k = 0.1071 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2521 -24.2521 -10.2333 -10.2333 -10.2255 -10.2255 -9.2696 -9.2696 -9.2008 -9.2008 -9.1781 -9.1781 -8.7981 -8.7981 -7.0079 -7.0079 -6.1865 -6.1865 -5.6088 -5.6088 -4.6602 -4.6602 -1.3198 -1.3198 4.6504 4.6504 8.0057 8.0057 8.1257 8.1257 8.2176 8.2176 9.1589 9.1589 9.2780 9.2780 9.5300 9.5300 11.5225 11.5225 11.9333 11.9333 12.2631 12.2631 14.2424 14.2424 17.0047 17.0047 17.4698 17.4698 k = 0.1190 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2510 -24.2510 -10.2330 -10.2330 -10.2254 -10.2254 -9.2675 -9.2675 -9.2008 -9.2008 -9.1784 -9.1784 -8.7987 -8.7987 -7.1079 -7.1079 -6.1866 -6.1866 -5.6028 -5.6028 -4.5271 -4.5271 -1.3188 -1.3188 4.6259 4.6259 7.9841 7.9841 8.1260 8.1260 8.2291 8.2291 9.1181 9.1181 9.2611 9.2611 9.5905 9.5905 11.4321 11.4321 11.9307 11.9307 12.2374 12.2374 14.3087 14.3087 16.9737 16.9737 17.4362 17.4362 k = 0.1310 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2498 -24.2498 -10.2328 -10.2328 -10.2253 -10.2253 -9.2651 -9.2651 -9.2008 -9.2008 -9.1788 -9.1788 -8.7993 -8.7993 -7.2062 -7.2062 -6.1864 -6.1864 -5.5969 -5.5969 -4.3923 -4.3923 -1.3177 -1.3177 4.5994 4.5994 7.9635 7.9635 8.1262 8.1262 8.2418 8.2418 9.0749 9.0749 9.2428 9.2428 9.6530 9.6530 11.3348 11.3348 11.9280 11.9280 12.2094 12.2094 14.3793 14.3793 16.9403 16.9403 17.4003 17.4003 k = 0.1429 0.5000-0.0000 ( 2072 PWs) bands (ev): -24.2485 -24.2485 -10.2325 -10.2325 -10.2253 -10.2253 -9.2627 -9.2627 -9.2009 -9.2009 -9.1791 -9.1791 -8.8000 -8.8000 -7.3024 -7.3024 -6.1859 -6.1859 -5.5910 -5.5910 -4.2561 -4.2561 -1.3165 -1.3165 4.5711 4.5711 7.9443 7.9443 8.1264 8.1264 8.2557 8.2557 9.0298 9.0298 9.2234 9.2234 9.7169 9.7169 11.2311 11.2311 11.9253 11.9253 12.1792 12.1792 14.4537 14.4537 16.9050 16.9050 17.3623 17.3623 k = 0.1548 0.5000-0.0000 ( 2072 PWs) bands (ev): -24.2472 -24.2472 -10.2323 -10.2323 -10.2252 -10.2252 -9.2600 -9.2600 -9.2009 -9.2009 -9.1794 -9.1794 -8.8008 -8.8008 -7.3964 -7.3964 -6.1853 -6.1853 -5.5850 -5.5850 -4.1191 -4.1191 -1.3152 -1.3152 4.5413 4.5413 7.9266 7.9266 8.1264 8.1264 8.2706 8.2706 8.9830 8.9830 9.2029 9.2029 9.7817 9.7817 11.1216 11.1216 11.9226 11.9226 12.1469 12.1469 14.5315 14.5315 16.8679 16.8679 17.3225 17.3225 k = 0.1667 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2458 -24.2458 -10.2320 -10.2320 -10.2251 -10.2251 -9.2572 -9.2572 -9.2010 -9.2010 -9.1797 -9.1797 -8.8017 -8.8017 -7.4881 -7.4881 -6.1846 -6.1846 -5.5789 -5.5789 -3.9814 -3.9814 -1.3139 -1.3139 4.5100 4.5100 7.9108 7.9108 8.1263 8.1263 8.2865 8.2865 8.9350 8.9350 9.1814 9.1814 9.8469 9.8469 11.0070 11.0070 11.9199 11.9199 12.1127 12.1127 14.6120 14.6120 16.8294 16.8294 17.2813 17.2813 k = 0.1786 0.5000-0.0000 ( 2072 PWs) bands (ev): -24.2443 -24.2443 -10.2317 -10.2317 -10.2250 -10.2250 -9.2543 -9.2543 -9.2011 -9.2011 -9.1800 -9.1800 -8.8026 -8.8026 -7.5773 -7.5773 -6.1837 -6.1837 -5.5727 -5.5727 -3.8434 -3.8434 -1.3124 -1.3124 4.4775 4.4775 7.8969 7.8969 8.1260 8.1260 8.3033 8.3033 8.8863 8.8863 9.1591 9.1591 9.9123 9.9123 10.8880 10.8880 11.9172 11.9172 12.0768 12.0768 14.6948 14.6948 16.7896 16.7896 17.2391 17.2391 k = 0.1905 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2428 -24.2428 -10.2314 -10.2314 -10.2250 -10.2250 -9.2513 -9.2513 -9.2012 -9.2012 -9.1802 -9.1802 -8.8036 -8.8036 -7.6639 -7.6639 -6.1828 -6.1828 -5.5664 -5.5664 -3.7054 -3.7054 -1.3109 -1.3109 4.4440 4.4440 7.8849 7.8849 8.1255 8.1255 8.3208 8.3208 8.8372 8.8372 9.1362 9.1362 9.9773 9.9773 10.7650 10.7650 11.9145 11.9145 12.0392 12.0392 14.7793 14.7793 16.7489 16.7489 17.1961 17.1961 k = 0.2024 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2412 -24.2412 -10.2311 -10.2311 -10.2249 -10.2249 -9.2482 -9.2482 -9.2013 -9.2013 -9.1803 -9.1803 -8.8046 -8.8046 -7.7478 -7.7478 -6.1818 -6.1818 -5.5600 -5.5600 -3.5677 -3.5677 -1.3094 -1.3094 4.4097 4.4097 7.8749 7.8749 8.1247 8.1247 8.3390 8.3390 8.7881 8.7881 9.1127 9.1127 10.0417 10.0417 10.6389 10.6389 11.9119 11.9119 12.0002 12.0002 14.8650 14.8650 16.7074 16.7074 17.1527 17.1527 k = 0.2143 0.5000-0.0000 ( 2076 PWs) bands (ev): -24.2395 -24.2395 -10.2308 -10.2308 -10.2248 -10.2248 -9.2451 -9.2451 -9.2014 -9.2014 -9.1804 -9.1804 -8.8057 -8.8057 -7.8288 -7.8288 -6.1807 -6.1807 -5.5535 -5.5535 -3.4305 -3.4305 -1.3078 -1.3078 4.3749 4.3749 7.8668 7.8668 8.1235 8.1235 8.3578 8.3578 8.7393 8.7393 9.0888 9.0888 10.1052 10.1052 10.5101 10.5101 11.9092 11.9092 11.9600 11.9600 14.9514 14.9514 16.6656 16.6656 17.1093 17.1093 k = 0.2262 0.5000-0.0000 ( 2082 PWs) bands (ev): -24.2379 -24.2379 -10.2305 -10.2305 -10.2247 -10.2247 -9.2419 -9.2419 -9.2015 -9.2015 -9.1805 -9.1805 -8.8068 -8.8068 -7.9070 -7.9070 -6.1797 -6.1797 -5.5469 -5.5469 -3.2942 -3.2942 -1.3061 -1.3061 4.3396 4.3396 7.8607 7.8607 8.1219 8.1219 8.3770 8.3770 8.6913 8.6913 9.0647 9.0647 10.1676 10.1676 10.3795 10.3795 11.9066 11.9066 11.9188 11.9188 15.0379 15.0379 16.6235 16.6235 17.0663 17.0663 k = 0.2381 0.5000-0.0000 ( 2082 PWs) bands (ev): -24.2362 -24.2362 -10.2303 -10.2303 -10.2246 -10.2246 -9.2387 -9.2387 -9.2016 -9.2016 -9.1805 -9.1805 -8.8080 -8.8080 -7.9823 -7.9823 -6.1785 -6.1785 -5.5403 -5.5403 -3.1591 -3.1591 -1.3044 -1.3044 4.3043 4.3043 7.8564 7.8564 8.1198 8.1198 8.3965 8.3965 8.6444 8.6444 9.0404 9.0404 10.2279 10.2279 10.2481 10.2481 11.8767 11.8767 11.9042 11.9042 15.1240 15.1240 16.5817 16.5817 17.0239 17.0239 k = 0.2500 0.5000-0.0000 ( 2078 PWs) bands (ev): -24.2345 -24.2345 -10.2300 -10.2300 -10.2245 -10.2245 -9.2356 -9.2356 -9.2016 -9.2016 -9.1804 -9.1804 -8.8093 -8.8093 -8.0545 -8.0545 -6.1774 -6.1774 -5.5336 -5.5336 -3.0254 -3.0254 -1.3026 -1.3026 4.2690 4.2690 7.8539 7.8539 8.1170 8.1170 8.4162 8.4162 8.5990 8.5990 9.0162 9.0162 10.1146 10.1146 10.2880 10.2880 11.8341 11.8341 11.9017 11.9017 15.2090 15.2090 16.5404 16.5404 16.9824 16.9824 k = 0.2619 0.5000-0.0000 ( 2078 PWs) bands (ev): -24.2329 -24.2329 -10.2297 -10.2297 -10.2244 -10.2244 -9.2326 -9.2326 -9.2016 -9.2016 -9.1802 -9.1802 -8.8106 -8.8106 -8.1237 -8.1237 -6.1762 -6.1762 -5.5270 -5.5270 -2.8935 -2.8935 -1.3008 -1.3008 4.2339 4.2339 7.8529 7.8529 8.1135 8.1135 8.4356 8.4356 8.5558 8.5558 8.9922 8.9922 9.9820 9.9820 10.3454 10.3454 11.7910 11.7910 11.8994 11.8994 15.2922 15.2922 16.5002 16.5002 16.9422 16.9422 k = 0.2738 0.5000-0.0000 ( 2086 PWs) bands (ev): -24.2312 -24.2312 -10.2294 -10.2294 -10.2243 -10.2243 -9.2297 -9.2297 -9.2014 -9.2014 -9.1800 -9.1800 -8.8120 -8.8120 -8.1898 -8.1898 -6.1751 -6.1751 -5.5205 -5.5205 -2.7638 -2.7638 -1.2990 -1.2990 4.1993 4.1993 7.8535 7.8535 8.1090 8.1090 8.4534 8.4534 8.5163 8.5163 8.9684 8.9684 9.8499 9.8499 10.4009 10.4009 11.7479 11.7479 11.8971 11.8971 15.3730 15.3730 16.4614 16.4614 16.9035 16.9035 k = 0.2857 0.5000-0.0000 ( 2086 PWs) bands (ev): -24.2295 -24.2295 -10.2292 -10.2292 -10.2242 -10.2242 -9.2270 -9.2270 -9.2011 -9.2011 -9.1797 -9.1797 -8.8135 -8.8135 -8.2527 -8.2527 -6.1740 -6.1740 -5.5140 -5.5140 -2.6367 -2.6367 -1.2971 -1.2971 4.1653 4.1653 7.8554 7.8554 8.1034 8.1034 8.4577 8.4577 8.4926 8.4926 8.9451 8.9451 9.7192 9.7192 10.4542 10.4542 11.7048 11.7048 11.8949 11.8949 15.4504 15.4504 16.4249 16.4249 16.8665 16.8665 k = 0.2976 0.5000-0.0000 ( 2090 PWs) bands (ev): -24.2279 -24.2279 -10.2290 -10.2290 -10.2240 -10.2240 -9.2246 -9.2246 -9.2006 -9.2006 -9.1793 -9.1793 -8.8150 -8.8150 -8.3124 -8.3124 -6.1728 -6.1728 -5.5077 -5.5077 -2.5126 -2.5126 -1.2951 -1.2951 4.1322 4.1322 7.8585 7.8585 8.0965 8.0965 8.4303 8.4303 8.5032 8.5032 8.9223 8.9223 9.5904 9.5904 10.5051 10.5051 11.6621 11.6621 11.8929 11.8929 15.5235 15.5235 16.3914 16.3914 16.8314 16.8314 k = 0.3095 0.5000-0.0000 ( 2092 PWs) bands (ev): -24.2263 -24.2263 -10.2287 -10.2287 -10.2239 -10.2239 -9.2225 -9.2225 -9.1999 -9.1999 -9.1788 -9.1788 -8.8166 -8.8166 -8.3689 -8.3689 -6.1717 -6.1717 -5.5015 -5.5015 -2.3919 -2.3919 -1.2931 -1.2931 4.1000 4.1000 7.8626 7.8626 8.0883 8.0883 8.3980 8.3980 8.5212 8.5212 8.9001 8.9001 9.4644 9.4644 10.5536 10.5536 11.6200 11.6200 11.8909 11.8909 15.5908 15.5908 16.3620 16.3620 16.7984 16.7984 k = 0.3214 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2247 -24.2247 -10.2285 -10.2285 -10.2238 -10.2238 -9.2208 -9.2208 -9.1989 -9.1989 -9.1782 -9.1782 -8.8184 -8.8184 -8.4219 -8.4219 -6.1706 -6.1706 -5.4955 -5.4955 -2.2750 -2.2750 -1.2911 -1.2911 4.0690 4.0690 7.8676 7.8676 8.0786 8.0786 8.3677 8.3677 8.5400 8.5400 8.8787 8.8787 9.3418 9.3418 10.5996 10.5996 11.5788 11.5788 11.8891 11.8891 15.6510 15.6510 16.3381 16.3381 16.7676 16.7676 k = 0.3333 0.5000-0.0000 ( 2096 PWs) bands (ev): -24.2233 -24.2233 -10.2283 -10.2283 -10.2237 -10.2237 -9.2194 -9.2194 -9.1977 -9.1977 -9.1775 -9.1775 -8.8202 -8.8202 -8.4717 -8.4717 -6.1696 -6.1696 -5.4898 -5.4898 -2.1625 -2.1625 -1.2889 -1.2889 4.0392 4.0392 7.8732 7.8732 8.0674 8.0674 8.3401 8.3401 8.5586 8.5586 8.8582 8.8582 9.2233 9.2233 10.6428 10.6428 11.5388 11.5388 11.8873 11.8873 15.7023 15.7023 16.3211 16.3211 16.7391 16.7391 k = 0.3452 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2218 -24.2218 -10.2281 -10.2281 -10.2236 -10.2236 -9.2183 -9.2183 -9.1964 -9.1964 -9.1767 -9.1767 -8.8222 -8.8222 -8.5179 -8.5179 -6.1686 -6.1686 -5.4842 -5.4842 -2.0548 -2.0548 -1.2865 -1.2865 4.0109 4.0109 7.8794 7.8794 8.0550 8.0550 8.3153 8.3153 8.5767 8.5767 8.8387 8.8387 9.1098 9.1098 10.6833 10.6833 11.5001 11.5001 11.8857 11.8857 15.7431 15.7431 16.3126 16.3126 16.7130 16.7130 k = 0.3571 0.5000-0.0000 ( 2092 PWs) bands (ev): -24.2204 -24.2204 -10.2280 -10.2280 -10.2235 -10.2235 -9.2176 -9.2176 -9.1950 -9.1950 -9.1758 -9.1758 -8.8245 -8.8245 -8.5605 -8.5605 -6.1676 -6.1676 -5.4790 -5.4790 -1.9527 -1.9527 -1.2841 -1.2841 3.9842 3.9842 7.8857 7.8857 8.0418 8.0418 8.2929 8.2929 8.5941 8.5941 8.8201 8.8201 9.0022 9.0022 10.7209 10.7209 11.4631 11.4631 11.8843 11.8843 15.7723 15.7723 16.3134 16.3134 16.6895 16.6895 k = 0.3690 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2192 -24.2192 -10.2278 -10.2278 -10.2233 -10.2233 -9.2170 -9.2170 -9.1936 -9.1936 -9.1748 -9.1748 -8.8270 -8.8270 -8.5995 -8.5995 -6.1667 -6.1667 -5.4740 -5.4740 -1.8565 -1.8565 -1.2813 -1.2813 3.9591 3.9591 7.8921 7.8921 8.0282 8.0282 8.2724 8.2724 8.6106 8.6106 8.8026 8.8026 8.9014 8.9014 10.7556 10.7556 11.4280 11.4280 11.8829 11.8829 15.7899 15.7899 16.3232 16.3232 16.6687 16.6687 k = 0.3810 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2180 -24.2180 -10.2277 -10.2277 -10.2232 -10.2232 -9.2166 -9.2166 -9.1923 -9.1923 -9.1736 -9.1736 -8.8298 -8.8298 -8.6346 -8.6346 -6.1658 -6.1658 -5.4694 -5.4694 -1.7669 -1.7669 -1.2782 -1.2782 3.9359 3.9359 7.8982 7.8982 8.0150 8.0150 8.2529 8.2529 8.6262 8.6262 8.7853 8.7853 8.8095 8.8095 10.7873 10.7873 11.3950 11.3950 11.8817 11.8817 15.7973 15.7973 16.3403 16.3403 16.6507 16.6507 k = 0.3929 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2169 -24.2169 -10.2276 -10.2276 -10.2231 -10.2231 -9.2163 -9.2163 -9.1911 -9.1911 -9.1724 -9.1724 -8.8331 -8.8331 -8.6659 -8.6659 -6.1650 -6.1650 -5.4651 -5.4651 -1.6848 -1.6848 -1.2745 -1.2745 3.9146 3.9146 7.9038 7.9038 8.0027 8.0027 8.2337 8.2337 8.6407 8.6407 8.7226 8.7226 8.7730 8.7730 10.8160 10.8160 11.3645 11.3645 11.8805 11.8805 15.7969 15.7969 16.3621 16.3621 16.6359 16.6359 k = 0.4048 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2159 -24.2159 -10.2275 -10.2275 -10.2230 -10.2230 -9.2160 -9.2160 -9.1901 -9.1901 -9.1711 -9.1711 -8.8371 -8.8371 -8.6931 -8.6931 -6.1643 -6.1643 -5.4612 -5.4612 -1.6107 -1.6107 -1.2700 -1.2700 3.8952 3.8952 7.9084 7.9084 7.9922 7.9922 8.2137 8.2137 8.6484 8.6484 8.6540 8.6540 8.7592 8.7592 10.8416 10.8416 11.3366 11.3366 11.8795 11.8795 15.7911 15.7911 16.3855 16.3855 16.6246 16.6246 k = 0.4167 0.5000-0.0000 ( 2084 PWs) bands (ev): -24.2149 -24.2149 -10.2274 -10.2274 -10.2229 -10.2229 -9.2158 -9.2158 -9.1892 -9.1892 -9.1699 -9.1699 -8.8416 -8.8416 -8.7160 -8.7160 -6.1636 -6.1636 -5.4578 -5.4578 -1.5456 -1.5456 -1.2644 -1.2644 3.8780 3.8780 7.9119 7.9119 7.9841 7.9841 8.1922 8.1922 8.5847 8.5847 8.6659 8.6659 8.7471 8.7471 10.8642 10.8642 11.3116 11.3116 11.8787 11.8787 15.7822 15.7822 16.4079 16.4079 16.6170 16.6170 k = 0.4286 0.5000-0.0000 ( 2084 PWs) bands (ev): -24.2142 -24.2142 -10.2273 -10.2273 -10.2229 -10.2229 -9.2157 -9.2157 -9.1884 -9.1884 -9.1687 -9.1687 -8.8469 -8.8469 -8.7347 -8.7347 -6.1631 -6.1631 -5.4547 -5.4547 -1.4903 -1.4903 -1.2572 -1.2572 3.8629 3.8629 7.9140 7.9140 7.9787 7.9787 8.1688 8.1688 8.5323 8.5323 8.6765 8.6765 8.7367 8.7367 10.8836 10.8836 11.2896 11.2896 11.8779 11.8779 15.7719 15.7719 16.4272 16.4272 16.6134 16.6134 k = 0.4405 0.5000-0.0000 ( 2080 PWs) bands (ev): -24.2135 -24.2135 -10.2272 -10.2272 -10.2228 -10.2228 -9.2156 -9.2156 -9.1879 -9.1879 -9.1675 -9.1675 -8.8527 -8.8527 -8.7492 -8.7492 -6.1626 -6.1626 -5.4521 -5.4521 -1.4457 -1.4457 -1.2482 -1.2482 3.8500 3.8500 7.9149 7.9149 7.9762 7.9762 8.1439 8.1439 8.4911 8.4911 8.6855 8.6855 8.7278 8.7278 10.8999 10.8999 11.2708 11.2708 11.8772 11.8772 15.7616 15.7616 16.4420 16.4420 16.6137 16.6137 k = 0.4524 0.5000-0.0000 ( 2076 PWs) bands (ev): -24.2129 -24.2129 -10.2272 -10.2272 -10.2227 -10.2227 -9.2154 -9.2154 -9.1874 -9.1874 -9.1666 -9.1666 -8.8585 -8.8585 -8.7601 -8.7601 -6.1622 -6.1622 -5.4500 -5.4500 -1.4119 -1.4119 -1.2374 -1.2374 3.8394 3.8394 7.9153 7.9153 7.9760 7.9760 8.1187 8.1187 8.4602 8.4602 8.6930 8.6930 8.7205 8.7205 10.9132 10.9132 11.2553 11.2553 11.8767 11.8767 15.7521 15.7521 16.4523 16.4523 16.6170 16.6170 k = 0.4643 0.5000-0.0000 ( 2082 PWs) bands (ev): -24.2125 -24.2125 -10.2271 -10.2271 -10.2227 -10.2227 -9.2154 -9.2154 -9.1870 -9.1870 -9.1657 -9.1657 -8.8639 -8.8639 -8.7677 -8.7677 -6.1619 -6.1619 -5.4483 -5.4483 -1.3884 -1.3884 -1.2260 -1.2260 3.8311 3.8311 7.9155 7.9155 7.9774 7.9774 8.0951 8.0951 8.4383 8.4383 8.6987 8.6987 8.7150 8.7150 10.9234 10.9234 11.2432 11.2432 11.8763 11.8763 15.7442 15.7442 16.4587 16.4587 16.6218 16.6218 k = 0.4762 0.5000-0.0000 ( 2082 PWs) bands (ev): -24.2122 -24.2122 -10.2271 -10.2271 -10.2226 -10.2226 -9.2153 -9.2153 -9.1868 -9.1868 -9.1651 -9.1651 -8.8683 -8.8683 -8.7727 -8.7727 -6.1616 -6.1616 -5.4471 -5.4471 -1.3735 -1.3735 -1.2157 -1.2157 3.8252 3.8252 7.9160 7.9160 7.9797 7.9797 8.0752 8.0752 8.4238 8.4238 8.7024 8.7024 8.7114 8.7114 10.9307 10.9307 11.2345 11.2345 11.8760 11.8760 15.7383 15.7383 16.4623 16.4623 16.6265 16.6265 k = 0.4881 0.5000-0.0000 ( 2096 PWs) bands (ev): -24.2120 -24.2120 -10.2271 -10.2271 -10.2226 -10.2226 -9.2152 -9.2152 -9.1867 -9.1867 -9.1648 -9.1648 -8.8711 -8.8711 -8.7756 -8.7756 -6.1615 -6.1615 -5.4464 -5.4464 -1.3654 -1.3654 -1.2086 -1.2086 3.8216 3.8216 7.9165 7.9165 7.9821 7.9821 8.0615 8.0615 8.4156 8.4156 8.7038 8.7038 8.7100 8.7100 10.9350 10.9350 11.2293 11.2293 11.8758 11.8758 15.7346 15.7346 16.4640 16.4640 16.6299 16.6299 k = 0.5000 0.5000-0.0000 ( 2096 PWs) bands (ev): -24.2119 -24.2119 -10.2271 -10.2271 -10.2226 -10.2226 -9.2152 -9.2152 -9.1866 -9.1866 -9.1647 -9.1647 -8.8721 -8.8721 -8.7765 -8.7765 -6.1615 -6.1615 -5.4461 -5.4461 -1.3629 -1.3629 -1.2061 -1.2061 3.8204 3.8204 7.9167 7.9167 7.9831 7.9831 8.0566 8.0566 8.4130 8.4130 8.7039 8.7039 8.7099 8.7099 10.9364 10.9364 11.2276 11.2276 11.8758 11.8758 15.7333 15.7333 16.4645 16.4645 16.6312 16.6312 k = 0.5000 0.5000-0.0000 ( 2096 PWs) bands (ev): -24.2119 -24.2119 -10.2271 -10.2271 -10.2226 -10.2226 -9.2152 -9.2152 -9.1866 -9.1866 -9.1647 -9.1647 -8.8721 -8.8721 -8.7765 -8.7765 -6.1615 -6.1615 -5.4461 -5.4461 -1.3629 -1.3629 -1.2061 -1.2061 3.8204 3.8204 7.9167 7.9167 7.9831 7.9831 8.0566 8.0566 8.4130 8.4130 8.7039 8.7039 8.7099 8.7099 10.9364 10.9364 11.2276 11.2276 11.8758 11.8758 15.7333 15.7333 16.4645 16.4645 16.6312 16.6312 k = 0.4915 0.4915-0.0000 ( 2096 PWs) bands (ev): -24.2120 -24.2120 -10.2271 -10.2271 -10.2226 -10.2226 -9.2152 -9.2152 -9.1867 -9.1867 -9.1648 -9.1648 -8.8711 -8.8711 -8.7756 -8.7756 -6.1615 -6.1615 -5.4464 -5.4464 -1.3654 -1.3654 -1.2087 -1.2087 3.8216 3.8216 7.9165 7.9165 7.9821 7.9821 8.0616 8.0616 8.4157 8.4157 8.7039 8.7039 8.7100 8.7100 10.9350 10.9350 11.2293 11.2293 11.8758 11.8758 15.7346 15.7346 16.4640 16.4640 16.6299 16.6299 k = 0.4831 0.4831-0.0000 ( 2080 PWs) bands (ev): -24.2122 -24.2122 -10.2271 -10.2271 -10.2226 -10.2226 -9.2153 -9.2153 -9.1868 -9.1868 -9.1652 -9.1652 -8.8681 -8.8681 -8.7728 -8.7728 -6.1616 -6.1616 -5.4471 -5.4471 -1.3730 -1.3730 -1.2164 -1.2164 3.8252 3.8252 7.9158 7.9158 7.9800 7.9800 8.0757 8.0757 8.4236 8.4236 8.7031 8.7031 8.7107 8.7107 10.9306 10.9306 11.2346 11.2346 11.8760 11.8760 15.7383 15.7383 16.4623 16.4623 16.6265 16.6265 k = 0.4746 0.4746-0.0000 ( 2078 PWs) bands (ev): -24.2125 -24.2125 -10.2271 -10.2271 -10.2227 -10.2227 -9.2154 -9.2154 -9.1870 -9.1870 -9.1657 -9.1657 -8.8632 -8.8632 -8.7683 -8.7683 -6.1619 -6.1619 -5.4483 -5.4483 -1.3857 -1.3857 -1.2294 -1.2294 3.8313 3.8313 7.9151 7.9151 7.9786 7.9786 8.0968 8.0968 8.4368 8.4368 8.7008 8.7008 8.7129 8.7129 10.9234 10.9234 11.2432 11.2432 11.8763 11.8763 15.7444 15.7444 16.4588 16.4588 16.6216 16.6216 k = 0.4661 0.4661-0.0000 ( 2078 PWs) bands (ev): -24.2129 -24.2129 -10.2272 -10.2272 -10.2227 -10.2227 -9.2155 -9.2155 -9.1873 -9.1873 -9.1665 -9.1665 -8.8564 -8.8564 -8.7619 -8.7619 -6.1622 -6.1622 -5.4500 -5.4500 -1.4034 -1.4034 -1.2475 -1.2475 3.8398 3.8398 7.9145 7.9145 7.9786 7.9786 8.1236 8.1236 8.4552 8.4552 8.6969 8.6969 8.7165 8.7165 10.9134 10.9134 11.2551 11.2551 11.8767 11.8767 15.7525 15.7525 16.4529 16.4529 16.6166 16.6166 k = 0.4576 0.4576-0.0000 ( 2090 PWs) bands (ev): -24.2135 -24.2135 -10.2272 -10.2272 -10.2228 -10.2228 -9.2156 -9.2156 -9.1877 -9.1877 -9.1675 -9.1675 -8.8478 -8.8478 -8.7538 -8.7538 -6.1626 -6.1626 -5.4522 -5.4522 -1.4260 -1.4260 -1.2707 -1.2707 3.8506 3.8506 7.9146 7.9146 7.9804 7.9804 8.1555 8.1555 8.4786 8.4786 8.6918 8.6918 8.7215 8.7215 10.9006 10.9006 11.2702 11.2702 11.8773 11.8773 15.7622 15.7622 16.4435 16.4435 16.6129 16.6129 k = 0.4492 0.4492-0.0000 ( 2084 PWs) bands (ev): -24.2142 -24.2142 -10.2273 -10.2273 -10.2228 -10.2228 -9.2157 -9.2157 -9.1881 -9.1881 -9.1686 -9.1686 -8.8373 -8.8373 -8.7439 -8.7439 -6.1631 -6.1631 -5.4548 -5.4548 -1.4535 -1.4535 -1.2987 -1.2987 3.8639 3.8639 7.9156 7.9156 7.9838 7.9838 8.1922 8.1922 8.5070 8.5070 8.6855 8.6855 8.7277 8.7277 10.8851 10.8851 11.2881 11.2881 11.8779 11.8779 15.7730 15.7730 16.4305 16.4305 16.6120 16.6120 k = 0.4407 0.4407-0.0000 ( 2082 PWs) bands (ev): -24.2150 -24.2150 -10.2274 -10.2274 -10.2229 -10.2229 -9.2159 -9.2159 -9.1886 -9.1886 -9.1698 -9.1698 -8.8250 -8.8250 -8.7321 -8.7321 -6.1637 -6.1637 -5.4579 -5.4579 -1.4857 -1.4857 -1.3316 -1.3316 3.8795 3.8795 7.9176 7.9176 7.9889 7.9889 8.2334 8.2334 8.5403 8.5403 8.6782 8.6782 8.7350 8.7350 10.8670 10.8670 11.3086 11.3086 11.8787 11.8787 15.7840 15.7840 16.4141 16.4141 16.6145 16.6145 k = 0.4322 0.4322-0.0000 ( 2082 PWs) bands (ev): -24.2160 -24.2160 -10.2275 -10.2275 -10.2230 -10.2230 -9.2161 -9.2161 -9.1890 -9.1890 -9.1710 -9.1710 -8.8111 -8.8111 -8.7186 -8.7186 -6.1644 -6.1644 -5.4615 -5.4615 -1.5225 -1.5225 -1.3691 -1.3691 3.8975 3.8975 7.9209 7.9209 7.9955 7.9955 8.2790 8.2790 8.5782 8.5782 8.6699 8.6699 8.7434 8.7434 10.8465 10.8465 11.3314 11.3314 11.8795 11.8795 15.7942 15.7942 16.3957 16.3957 16.6208 16.6208 k = 0.4237 0.4237-0.0000 ( 2078 PWs) bands (ev): -24.2170 -24.2170 -10.2276 -10.2276 -10.2230 -10.2230 -9.2163 -9.2163 -9.1895 -9.1895 -9.1722 -9.1722 -8.7956 -8.7956 -8.7033 -8.7033 -6.1652 -6.1652 -5.4654 -5.4654 -1.5639 -1.5639 -1.4111 -1.4111 3.9178 3.9178 7.9255 7.9255 8.0036 8.0036 8.3288 8.3288 8.6205 8.6205 8.6607 8.6607 8.7530 8.7530 10.8235 10.8235 11.3560 11.3560 11.8805 11.8805 15.8023 15.8023 16.3775 16.3775 16.6305 16.6305 k = 0.4153 0.4153-0.0000 ( 2088 PWs) bands (ev): -24.2182 -24.2182 -10.2278 -10.2278 -10.2231 -10.2231 -9.2165 -9.2165 -9.1899 -9.1899 -9.1735 -9.1735 -8.7784 -8.7784 -8.6863 -8.6863 -6.1662 -6.1662 -5.4697 -5.4697 -1.6097 -1.6097 -1.4574 -1.4574 3.9405 3.9405 7.9312 7.9312 8.0132 8.0132 8.3827 8.3827 8.6501 8.6501 8.6677 8.6677 8.7637 8.7637 10.7984 10.7984 11.3821 11.3821 11.8816 11.8816 15.8068 15.8068 16.3618 16.3618 16.6434 16.6434 k = 0.4068 0.4068-0.0000 ( 2088 PWs) bands (ev): -24.2195 -24.2195 -10.2279 -10.2279 -10.2232 -10.2232 -9.2167 -9.2167 -9.1904 -9.1904 -9.1747 -9.1747 -8.7598 -8.7598 -8.6674 -8.6674 -6.1672 -6.1672 -5.4744 -5.4744 -1.6596 -1.6596 -1.5079 -1.5079 3.9655 3.9655 7.9382 7.9382 8.0242 8.0242 8.4406 8.4406 8.6395 8.6395 8.7180 8.7180 8.7755 8.7755 10.7712 10.7712 11.4090 11.4090 11.8829 11.8829 15.8060 15.8060 16.3510 16.3510 16.6591 16.6591 k = 0.3983 0.3983-0.0000 ( 2091 PWs) bands (ev): -24.2209 -24.2209 -10.2281 -10.2281 -10.2232 -10.2232 -9.2169 -9.2169 -9.1908 -9.1908 -9.1759 -9.1759 -8.7396 -8.7396 -8.6468 -8.6468 -6.1683 -6.1683 -5.4795 -5.4795 -1.7137 -1.7137 -1.5623 -1.5623 3.9927 3.9927 7.9462 7.9462 8.0368 8.0368 8.5022 8.5022 8.6282 8.6282 8.7714 8.7714 8.7895 8.7895 10.7421 10.7421 11.4364 11.4364 11.8842 11.8842 15.7990 15.7990 16.3474 16.3474 16.6775 16.6775 k = 0.3898 0.3898-0.0000 ( 2091 PWs) bands (ev): -24.2224 -24.2224 -10.2283 -10.2283 -10.2233 -10.2233 -9.2171 -9.2171 -9.1911 -9.1911 -9.1770 -9.1770 -8.7180 -8.7180 -8.6244 -8.6244 -6.1695 -6.1695 -5.4848 -5.4848 -1.7716 -1.7716 -1.6205 -1.6205 4.0222 4.0222 7.9553 7.9553 8.0508 8.0508 8.5668 8.5668 8.6169 8.6169 8.8005 8.8005 8.8325 8.8325 10.7113 10.7113 11.4635 11.4635 11.8856 11.8856 15.7854 15.7854 16.3519 16.3519 16.6985 16.6985 k = 0.3814 0.3814-0.0000 ( 2089 PWs) bands (ev): -24.2240 -24.2240 -10.2285 -10.2285 -10.2234 -10.2234 -9.2173 -9.2173 -9.1914 -9.1914 -9.1780 -9.1780 -8.6949 -8.6949 -8.6003 -8.6003 -6.1708 -6.1708 -5.4904 -5.4904 -1.8332 -1.8332 -1.6822 -1.6822 4.0540 4.0540 7.9653 7.9653 8.0664 8.0664 8.6007 8.6007 8.6395 8.6395 8.8157 8.8157 8.8938 8.8938 10.6789 10.6789 11.4896 11.4896 11.8872 11.8872 15.7659 15.7659 16.3649 16.3649 16.7219 16.7219 k = 0.3729 0.3729-0.0000 ( 2089 PWs) bands (ev): -24.2257 -24.2257 -10.2287 -10.2287 -10.2234 -10.2234 -9.2175 -9.2175 -9.1917 -9.1917 -9.1790 -9.1790 -8.6704 -8.6704 -8.5744 -8.5744 -6.1722 -6.1722 -5.4963 -5.4963 -1.8985 -1.8985 -1.7474 -1.7474 4.0879 4.0879 7.9762 7.9762 8.0836 8.0836 8.5889 8.5889 8.7105 8.7105 8.8316 8.8316 8.9585 8.9585 10.6451 10.6451 11.5141 11.5141 11.8888 11.8888 15.7419 15.7419 16.3856 16.3856 16.7478 16.7478 k = 0.3644 0.3644-0.0000 ( 2081 PWs) bands (ev): -24.2275 -24.2275 -10.2289 -10.2289 -10.2235 -10.2235 -9.2176 -9.2176 -9.1919 -9.1919 -9.1799 -9.1799 -8.6445 -8.6445 -8.5468 -8.5468 -6.1737 -6.1737 -5.5025 -5.5025 -1.9671 -1.9671 -1.8156 -1.8156 4.1241 4.1241 7.9878 7.9878 8.1024 8.1024 8.5756 8.5756 8.7856 8.7856 8.8485 8.8485 9.0263 9.0263 10.6100 10.6100 11.5363 11.5363 11.8906 11.8906 15.7156 15.7156 16.4128 16.4128 16.7761 16.7761 k = 0.3559 0.3559-0.0000 ( 2085 PWs) bands (ev): -24.2293 -24.2293 -10.2291 -10.2291 -10.2235 -10.2235 -9.2178 -9.2178 -9.1921 -9.1921 -9.1807 -9.1807 -8.6172 -8.6172 -8.5175 -8.5175 -6.1753 -6.1753 -5.5088 -5.5088 -2.0389 -2.0389 -1.8869 -1.8869 4.1624 4.1624 8.0000 8.0000 8.1229 8.1229 8.5619 8.5619 8.8588 8.8588 8.8713 8.8713 9.0967 9.0967 10.5740 10.5740 11.5552 11.5552 11.8924 11.8924 15.6888 15.6888 16.4454 16.4454 16.8070 16.8070 k = 0.3475 0.3475-0.0000 ( 2081 PWs) bands (ev): -24.2313 -24.2313 -10.2294 -10.2294 -10.2236 -10.2236 -9.2178 -9.2178 -9.1922 -9.1922 -9.1813 -9.1813 -8.5885 -8.5885 -8.4864 -8.4864 -6.1769 -6.1769 -5.5153 -5.5153 -2.1137 -2.1137 -1.9609 -1.9609 4.2028 4.2028 8.0127 8.0127 8.1450 8.1450 8.5480 8.5480 8.8830 8.8830 8.9467 8.9467 9.1694 9.1694 10.5371 10.5371 11.5702 11.5702 11.8944 11.8944 15.6637 15.6637 16.4821 16.4821 16.8404 16.8404 k = 0.3390 0.3390-0.0000 ( 2073 PWs) bands (ev): -24.2333 -24.2333 -10.2296 -10.2296 -10.2236 -10.2236 -9.2179 -9.2179 -9.1924 -9.1924 -9.1819 -9.1819 -8.5584 -8.5584 -8.4536 -8.4536 -6.1787 -6.1787 -5.5219 -5.5219 -2.1913 -2.1913 -2.0375 -2.0375 4.2453 4.2453 8.0259 8.0259 8.1689 8.1689 8.5340 8.5340 8.9025 8.9025 9.0303 9.0303 9.2442 9.2442 10.4997 10.4997 11.5805 11.5805 11.8964 11.8964 15.6419 15.6419 16.5219 16.5219 16.8765 16.8765 k = 0.3305 0.3305-0.0000 ( 2073 PWs) bands (ev): -24.2354 -24.2354 -10.2298 -10.2298 -10.2237 -10.2237 -9.2179 -9.2179 -9.1926 -9.1926 -9.1823 -9.1823 -8.5269 -8.5269 -8.4192 -8.4192 -6.1806 -6.1806 -5.5287 -5.5287 -2.2717 -2.2717 -2.1165 -2.1165 4.2899 4.2899 8.0393 8.0393 8.1945 8.1945 8.5199 8.5199 8.9225 8.9225 9.1164 9.1164 9.3207 9.3207 10.4618 10.4618 11.5854 11.5854 11.8985 11.8985 15.6249 15.6249 16.5641 16.5641 16.9153 16.9153 k = 0.3220 0.3220-0.0000 ( 2073 PWs) bands (ev): -24.2375 -24.2375 -10.2300 -10.2300 -10.2238 -10.2238 -9.2179 -9.2179 -9.1928 -9.1928 -9.1826 -9.1826 -8.4941 -8.4941 -8.3830 -8.3830 -6.1826 -6.1826 -5.5355 -5.5355 -2.3545 -2.3545 -2.1977 -2.1977 4.3365 4.3365 8.0531 8.0531 8.2217 8.2217 8.5059 8.5059 8.9432 8.9432 9.2046 9.2046 9.3985 9.3985 10.4238 10.4238 11.5844 11.5844 11.9008 11.9008 15.6142 15.6142 16.6079 16.6079 16.9568 16.9568 k = 0.3136 0.3136-0.0000 ( 2077 PWs) bands (ev): -24.2398 -24.2398 -10.2302 -10.2302 -10.2238 -10.2238 -9.2179 -9.2179 -9.1930 -9.1930 -9.1827 -9.1827 -8.4598 -8.4598 -8.3452 -8.3452 -6.1847 -6.1847 -5.5424 -5.5424 -2.4396 -2.4396 -2.2810 -2.2810 4.3851 4.3851 8.0669 8.0669 8.2507 8.2507 8.4920 8.4920 8.9646 8.9646 9.2945 9.2945 9.4774 9.4774 10.3858 10.3858 11.5768 11.5768 11.9031 11.9031 15.6107 15.6107 16.6529 16.6529 17.0010 17.0010 k = 0.3051 0.3051-0.0000 ( 2077 PWs) bands (ev): -24.2420 -24.2420 -10.2304 -10.2304 -10.2239 -10.2239 -9.2178 -9.2178 -9.1933 -9.1933 -9.1827 -9.1827 -8.4242 -8.4242 -8.3057 -8.3057 -6.1867 -6.1867 -5.5494 -5.5494 -2.5269 -2.5269 -2.3661 -2.3661 4.4356 4.4356 8.0808 8.0808 8.2813 8.2813 8.4784 8.4784 8.9867 8.9867 9.3859 9.3859 9.5568 9.5568 10.3482 10.3482 11.5624 11.5624 11.9055 11.9055 15.6153 15.6153 16.6987 16.6987 17.0477 17.0477 k = 0.2966 0.2966-0.0000 ( 2077 PWs) bands (ev): -24.2444 -24.2444 -10.2305 -10.2305 -10.2240 -10.2240 -9.2177 -9.2177 -9.1936 -9.1936 -9.1826 -9.1826 -8.3871 -8.3871 -8.2646 -8.2646 -6.1890 -6.1890 -5.5563 -5.5563 -2.6161 -2.6161 -2.4530 -2.4530 4.4881 4.4881 8.0946 8.0946 8.3134 8.3134 8.4651 8.4651 9.0093 9.0093 9.4782 9.4782 9.6364 9.6364 10.3113 10.3113 11.5411 11.5411 11.9079 11.9079 15.6286 15.6286 16.7453 16.7453 17.0969 17.0969 k = 0.2881 0.2881-0.0000 ( 2073 PWs) bands (ev): -24.2467 -24.2467 -10.2307 -10.2307 -10.2241 -10.2241 -9.2176 -9.2176 -9.1940 -9.1940 -9.1823 -9.1823 -8.3485 -8.3485 -8.2219 -8.2219 -6.1913 -6.1913 -5.5632 -5.5632 -2.7071 -2.7071 -2.5414 -2.5414 4.5425 4.5425 8.1082 8.1082 8.3468 8.3468 8.4525 8.4525 9.0325 9.0325 9.5711 9.5711 9.7157 9.7157 10.2757 10.2757 11.5130 11.5130 11.9105 11.9105 15.6510 15.6510 16.7925 16.7925 17.1483 17.1483 k = 0.2797 0.2797-0.0000 ( 2073 PWs) bands (ev): -24.2491 -24.2491 -10.2308 -10.2308 -10.2243 -10.2243 -9.2174 -9.2174 -9.1945 -9.1945 -9.1819 -9.1819 -8.3086 -8.3086 -8.1776 -8.1776 -6.1937 -6.1937 -5.5701 -5.5701 -2.7998 -2.7998 -2.6313 -2.6313 4.5988 4.5988 8.1216 8.1216 8.3807 8.3807 8.4414 8.4414 9.0562 9.0562 9.6636 9.6636 9.7940 9.7940 10.2419 10.2419 11.4786 11.4786 11.9131 11.9131 15.6826 15.6826 16.8402 16.8402 17.2018 17.2018 k = 0.2712 0.2712-0.0000 ( 2075 PWs) bands (ev): -24.2515 -24.2515 -10.2310 -10.2310 -10.2244 -10.2244 -9.2172 -9.2172 -9.1950 -9.1950 -9.1814 -9.1814 -8.2672 -8.2672 -8.1317 -8.1317 -6.1962 -6.1962 -5.5769 -5.5769 -2.8938 -2.8938 -2.7225 -2.7225 4.6568 4.6568 8.1345 8.1345 8.4081 8.4081 8.4386 8.4386 9.0804 9.0804 9.7544 9.7544 9.8705 9.8705 10.2115 10.2115 11.4384 11.4384 11.9157 11.9157 15.7233 15.7233 16.8887 16.8887 17.2569 17.2569 k = 0.2627 0.2627-0.0000 ( 2075 PWs) bands (ev): -24.2539 -24.2539 -10.2311 -10.2311 -10.2245 -10.2245 -9.2171 -9.2171 -9.1955 -9.1955 -9.1808 -9.1808 -8.2243 -8.2243 -8.0842 -8.0842 -6.1988 -6.1988 -5.5836 -5.5836 -2.9892 -2.9892 -2.8148 -2.8148 4.7167 4.7167 8.1470 8.1470 8.4083 8.4083 8.4650 8.4650 9.1049 9.1049 9.8405 9.8405 9.9441 9.9441 10.1873 10.1873 11.3936 11.3936 11.9184 11.9184 15.7730 15.7730 16.9379 16.9379 17.3135 17.3135 k = 0.2542 0.2542-0.0000 ( 2079 PWs) bands (ev): -24.2564 -24.2564 -10.2312 -10.2312 -10.2247 -10.2247 -9.2169 -9.2169 -9.1960 -9.1960 -9.1802 -9.1802 -8.1801 -8.1801 -8.0353 -8.0353 -6.2014 -6.2014 -5.5902 -5.5902 -3.0858 -3.0858 -2.9082 -2.9082 4.7783 4.7783 8.1589 8.1589 8.3989 8.3989 8.5029 8.5029 9.1298 9.1298 9.9151 9.9151 10.0132 10.0132 10.1767 10.1767 11.3454 11.3454 11.9212 11.9212 15.8312 15.8312 16.9882 16.9882 17.3712 17.3712 k = 0.2458 0.2458-0.0000 ( 2079 PWs) bands (ev): -24.2588 -24.2588 -10.2313 -10.2313 -10.2249 -10.2249 -9.2167 -9.2167 -9.1966 -9.1966 -9.1794 -9.1794 -8.1343 -8.1343 -7.9847 -7.9847 -6.2040 -6.2040 -5.5968 -5.5968 -3.1833 -3.1833 -3.0025 -3.0025 4.8416 4.8416 8.1701 8.1701 8.3888 8.3888 8.5433 8.5433 9.1549 9.1549 9.9635 9.9635 10.0760 10.0760 10.1943 10.1943 11.2960 11.2960 11.9240 11.9240 15.8974 15.8974 17.0395 17.0395 17.4298 17.4298 k = 0.2373 0.2373-0.0000 ( 2075 PWs) bands (ev): -24.2612 -24.2612 -10.2313 -10.2313 -10.2251 -10.2251 -9.2164 -9.2164 -9.1972 -9.1972 -9.1787 -9.1787 -8.0871 -8.0871 -7.9327 -7.9327 -6.2066 -6.2066 -5.6032 -5.6032 -3.2817 -3.2817 -3.0975 -3.0975 4.9066 4.9066 8.1804 8.1804 8.3788 8.3788 8.5853 8.5853 9.1802 9.1802 9.9761 9.9761 10.1317 10.1317 10.2482 10.2482 11.2478 11.2478 11.9269 11.9269 15.9711 15.9711 17.0922 17.0922 17.4890 17.4890 k = 0.2288 0.2288-0.0000 ( 2077 PWs) bands (ev): -24.2637 -24.2637 -10.2314 -10.2314 -10.2253 -10.2253 -9.2162 -9.2162 -9.1978 -9.1978 -9.1778 -9.1778 -8.0385 -8.0385 -7.8792 -7.8792 -6.2093 -6.2093 -5.6094 -5.6094 -3.3808 -3.3808 -3.1933 -3.1933 4.9732 4.9732 8.1899 8.1899 8.3694 8.3694 8.6284 8.6284 9.2057 9.2057 9.9657 9.9657 10.1779 10.1779 10.3251 10.3251 11.2041 11.2041 11.9297 11.9297 16.0516 16.0516 17.1464 17.1464 17.5486 17.5486 k = 0.2203 0.2203-0.0000 ( 2085 PWs) bands (ev): -24.2661 -24.2661 -10.2314 -10.2314 -10.2255 -10.2255 -9.2160 -9.2160 -9.1985 -9.1985 -9.1770 -9.1770 -7.9884 -7.9884 -7.8243 -7.8243 -6.2121 -6.2121 -5.6156 -5.6156 -3.4805 -3.4805 -3.2896 -3.2896 5.0414 5.0414 8.1984 8.1984 8.3606 8.3606 8.6723 8.6723 9.2312 9.2312 9.9460 9.9460 10.2102 10.2102 10.4119 10.4119 11.1688 11.1688 11.9326 11.9326 16.1381 16.1381 17.2022 17.2022 17.6085 17.6085 k = 0.2119 0.2119-0.0000 ( 2077 PWs) bands (ev): -24.2685 -24.2685 -10.2315 -10.2315 -10.2257 -10.2257 -9.2158 -9.2158 -9.1991 -9.1991 -9.1761 -9.1761 -7.9367 -7.9367 -7.7679 -7.7679 -6.2147 -6.2147 -5.6216 -5.6216 -3.5806 -3.5806 -3.3864 -3.3864 5.1111 5.1111 8.2058 8.2058 8.3525 8.3525 8.7169 8.7169 9.2567 9.2567 9.9230 9.9230 10.2248 10.2248 10.5029 10.5029 11.1459 11.1459 11.9356 11.9356 16.2299 16.2299 17.2598 17.2598 17.6684 17.6684 k = 0.2034 0.2034-0.0000 ( 2077 PWs) bands (ev): -24.2709 -24.2709 -10.2315 -10.2315 -10.2260 -10.2260 -9.2155 -9.2155 -9.1998 -9.1998 -9.1752 -9.1752 -7.8837 -7.8837 -7.7101 -7.7101 -6.2174 -6.2174 -5.6275 -5.6275 -3.6810 -3.6810 -3.4836 -3.4836 5.1823 5.1823 8.2120 8.2120 8.3452 8.3452 8.7619 8.7619 9.2821 9.2821 9.8994 9.8994 10.2192 10.2192 10.5952 10.5952 11.1383 11.1383 11.9385 11.9385 16.3263 16.3263 17.3194 17.3194 17.7282 17.7282 k = 0.1949 0.1949-0.0000 ( 2077 PWs) bands (ev): -24.2732 -24.2732 -10.2315 -10.2315 -10.2262 -10.2262 -9.2153 -9.2153 -9.2004 -9.2004 -9.1743 -9.1743 -7.8292 -7.8292 -7.6509 -7.6509 -6.2201 -6.2201 -5.6333 -5.6333 -3.7816 -3.7816 -3.5810 -3.5810 5.2550 5.2550 8.2170 8.2170 8.3388 8.3388 8.8070 8.8070 9.3074 9.3074 9.8760 9.8760 10.1929 10.1929 10.6876 10.6876 11.1471 11.1471 11.9415 11.9415 16.4266 16.4266 17.3812 17.3812 17.7879 17.7879 k = 0.1864 0.1864-0.0000 ( 2069 PWs) bands (ev): -24.2754 -24.2754 -10.2315 -10.2315 -10.2265 -10.2265 -9.2150 -9.2150 -9.2011 -9.2011 -9.1734 -9.1734 -7.7732 -7.7732 -7.5904 -7.5904 -6.2227 -6.2227 -5.6390 -5.6390 -3.8821 -3.8821 -3.6785 -3.6785 5.3291 5.3291 8.2207 8.2207 8.3331 8.3331 8.8519 8.8519 9.3324 9.3324 9.8535 9.8535 10.1479 10.1479 10.7794 10.7794 11.1707 11.1707 11.9444 11.9444 16.5299 16.5299 17.4452 17.4452 17.8474 17.8474 k = 0.1780 0.1780-0.0000 ( 2075 PWs) bands (ev): -24.2777 -24.2777 -10.2315 -10.2315 -10.2267 -10.2267 -9.2148 -9.2148 -9.2018 -9.2018 -9.1725 -9.1725 -7.7159 -7.7159 -7.5287 -7.5287 -6.2253 -6.2253 -5.6446 -5.6446 -3.9827 -3.9827 -3.7762 -3.7762 5.4044 5.4044 8.2232 8.2232 8.3283 8.3283 8.8961 8.8961 9.3571 9.3571 9.8322 9.8322 10.0876 10.0876 10.8699 10.8699 11.2063 11.2063 11.9473 11.9473 16.6355 16.6355 17.5116 17.5116 17.9065 17.9065 k = 0.1695 0.1695-0.0000 ( 2075 PWs) bands (ev): -24.2799 -24.2799 -10.2315 -10.2315 -10.2270 -10.2270 -9.2145 -9.2145 -9.2025 -9.2025 -9.1716 -9.1716 -7.6572 -7.6572 -7.4656 -7.4656 -6.2278 -6.2278 -5.6503 -5.6503 -4.0829 -4.0829 -3.8738 -3.8738 5.4811 5.4811 8.2246 8.2246 8.3241 8.3241 8.9391 8.9391 9.3814 9.3814 9.8122 9.8122 10.0161 10.0161 10.9588 10.9588 11.2505 11.2505 11.9503 11.9503 16.7426 16.7426 17.5805 17.5805 17.9654 17.9654 k = 0.1610 0.1610-0.0000 ( 2067 PWs) bands (ev): -24.2820 -24.2820 -10.2314 -10.2314 -10.2273 -10.2273 -9.2143 -9.2143 -9.2032 -9.2032 -9.1707 -9.1707 -7.5970 -7.5970 -7.4013 -7.4013 -6.2302 -6.2302 -5.6559 -5.6559 -4.1827 -4.1827 -3.9713 -3.9713 5.5589 5.5589 8.2248 8.2248 8.3207 8.3207 8.9801 8.9801 9.4052 9.4052 9.7936 9.7936 9.9370 9.9370 11.0457 11.0457 11.3005 11.3005 11.9532 11.9532 16.8506 16.8506 17.6520 17.6520 18.0240 18.0240 k = 0.1525 0.1525-0.0000 ( 2067 PWs) bands (ev): -24.2840 -24.2840 -10.2314 -10.2314 -10.2276 -10.2276 -9.2140 -9.2140 -9.2039 -9.2039 -9.1699 -9.1699 -7.5355 -7.5355 -7.3359 -7.3359 -6.2325 -6.2325 -5.6616 -5.6616 -4.2819 -4.2819 -4.0686 -4.0686 5.6378 5.6378 8.2242 8.2242 8.3177 8.3177 9.0180 9.0180 9.4284 9.4284 9.7765 9.7765 9.8538 9.8538 11.1303 11.1303 11.3540 11.3540 11.9560 11.9560 16.9587 16.9587 17.7261 17.7261 18.0824 18.0824 k = 0.1441 0.1441-0.0000 ( 2055 PWs) bands (ev): -24.2860 -24.2860 -10.2314 -10.2314 -10.2278 -10.2278 -9.2138 -9.2138 -9.2045 -9.2045 -9.1690 -9.1690 -7.4726 -7.4726 -7.2694 -7.2694 -6.2346 -6.2346 -5.6674 -5.6674 -4.3803 -4.3803 -4.1655 -4.1655 5.7177 5.7177 8.2228 8.2228 8.3151 8.3151 9.0512 9.0512 9.4510 9.4510 9.7601 9.7601 9.7706 9.7706 11.2121 11.2121 11.4094 11.4094 11.9589 11.9589 17.0662 17.0662 17.8029 17.8029 18.1406 18.1406 k = 0.1356 0.1356-0.0000 ( 2059 PWs) bands (ev): -24.2879 -24.2879 -10.2313 -10.2313 -10.2281 -10.2281 -9.2136 -9.2136 -9.2052 -9.2052 -9.1682 -9.1682 -7.4086 -7.4086 -7.2018 -7.2018 -6.2366 -6.2366 -5.6736 -5.6736 -4.4779 -4.4779 -4.2620 -4.2620 5.7986 5.7986 8.2208 8.2208 8.3127 8.3127 9.0768 9.0768 9.4728 9.4728 9.6887 9.6887 9.7472 9.7472 11.2909 11.2909 11.4652 11.4652 11.9617 11.9617 17.1724 17.1724 17.8822 17.8822 18.1986 18.1986 k = 0.1271 0.1271-0.0000 ( 2057 PWs) bands (ev): -24.2897 -24.2897 -10.2313 -10.2313 -10.2284 -10.2284 -9.2133 -9.2133 -9.2059 -9.2059 -9.1675 -9.1675 -7.3432 -7.3432 -7.1334 -7.1334 -6.2384 -6.2384 -5.6801 -5.6801 -4.5743 -4.5743 -4.3578 -4.3578 5.8801 5.8801 8.2184 8.2184 8.3105 8.3105 9.0906 9.0906 9.4938 9.4938 9.6165 9.6165 9.7344 9.7344 11.3664 11.3664 11.5207 11.5207 11.9645 11.9645 17.2767 17.2767 17.9640 17.9640 18.2566 18.2566 k = 0.1186 0.1186-0.0000 ( 2061 PWs) bands (ev): -24.2914 -24.2914 -10.2312 -10.2312 -10.2287 -10.2287 -9.2131 -9.2131 -9.2065 -9.2065 -9.1667 -9.1667 -7.2767 -7.2767 -7.0640 -7.0640 -6.2400 -6.2400 -5.6872 -5.6872 -4.6692 -4.6692 -4.4530 -4.4530 5.9622 5.9622 8.2157 8.2157 8.3083 8.3083 9.0865 9.0865 9.5139 9.5139 9.5595 9.5595 9.7230 9.7230 11.4383 11.4383 11.5750 11.5750 11.9672 11.9672 17.3786 17.3786 18.0479 18.0479 18.3147 18.3147 k = 0.1102 0.1102-0.0000 ( 2061 PWs) bands (ev): -24.2930 -24.2930 -10.2312 -10.2312 -10.2289 -10.2289 -9.2129 -9.2129 -9.2071 -9.2071 -9.1661 -9.1661 -7.2092 -7.2092 -6.9940 -6.9940 -6.2412 -6.2412 -5.6952 -5.6952 -4.7623 -4.7623 -4.5473 -4.5473 6.0447 6.0447 8.2127 8.2127 8.3062 8.3062 9.0591 9.0591 9.5237 9.5237 9.5331 9.5331 9.7130 9.7130 11.5062 11.5062 11.6275 11.6275 11.9699 11.9699 17.4776 17.4776 18.1336 18.1336 18.3729 18.3729 k = 0.1017 0.1017-0.0000 ( 2055 PWs) bands (ev): -24.2945 -24.2945 -10.2311 -10.2311 -10.2292 -10.2292 -9.2127 -9.2127 -9.2077 -9.2077 -9.1654 -9.1654 -7.1406 -7.1406 -6.9234 -6.9234 -6.2421 -6.2421 -5.7042 -5.7042 -4.8531 -4.8531 -4.6406 -4.6406 6.1273 6.1273 8.2096 8.2096 8.3041 8.3041 9.0084 9.0084 9.5099 9.5099 9.5512 9.5512 9.7042 9.7042 11.5699 11.5699 11.6780 11.6780 11.9727 11.9727 17.5731 17.5731 18.2205 18.2205 18.4315 18.4315 k = 0.0932 0.0932-0.0000 ( 2059 PWs) bands (ev): -24.2959 -24.2959 -10.2311 -10.2311 -10.2294 -10.2294 -9.2125 -9.2125 -9.2082 -9.2082 -9.1648 -9.1648 -7.0712 -7.0712 -6.8524 -6.8524 -6.2425 -6.2425 -5.7150 -5.7150 -4.9411 -4.9411 -4.7326 -4.7326 6.2096 6.2096 8.2064 8.2064 8.3020 8.3020 8.9400 8.9400 9.5128 9.5128 9.5681 9.5681 9.6965 9.6965 11.6289 11.6289 11.7260 11.7260 11.9754 11.9754 17.6650 17.6650 18.3077 18.3077 18.4905 18.4905 k = 0.0847 0.0847-0.0000 ( 2067 PWs) bands (ev): -24.2972 -24.2972 -10.2311 -10.2311 -10.2296 -10.2296 -9.2123 -9.2123 -9.2087 -9.2087 -9.1642 -9.1642 -7.0012 -7.0012 -6.7814 -6.7814 -6.2423 -6.2423 -5.7280 -5.7280 -5.0256 -5.0256 -4.8232 -4.8232 6.2913 6.2913 8.2031 8.2031 8.3000 8.3000 8.8610 8.8610 9.5257 9.5257 9.5838 9.5838 9.6899 9.6899 11.6831 11.6831 11.7711 11.7711 11.9782 11.9782 17.7527 17.7527 18.3944 18.3944 18.5502 18.5502 k = 0.0763 0.0763-0.0000 ( 2071 PWs) bands (ev): -24.2984 -24.2984 -10.2310 -10.2310 -10.2298 -10.2298 -9.2122 -9.2122 -9.2092 -9.2092 -9.1637 -9.1637 -6.9308 -6.9308 -6.7105 -6.7105 -6.2413 -6.2413 -5.7441 -5.7441 -5.1055 -5.1055 -4.9119 -4.9119 6.3719 6.3719 8.1997 8.1997 8.2980 8.2980 8.7771 8.7771 9.5438 9.5438 9.5983 9.5983 9.6842 9.6842 11.7319 11.7319 11.8133 11.8133 11.9811 11.9811 17.8360 17.8360 18.4792 18.4792 18.6106 18.6106 k = 0.0678 0.0678-0.0000 ( 2083 PWs) bands (ev): -24.2995 -24.2995 -10.2310 -10.2310 -10.2300 -10.2300 -9.2120 -9.2120 -9.2097 -9.2097 -9.1633 -9.1633 -6.8605 -6.8605 -6.6404 -6.6404 -6.2394 -6.2394 -5.7644 -5.7644 -5.1797 -5.1797 -4.9983 -4.9983 6.4505 6.4505 8.1962 8.1962 8.2961 8.2961 8.6921 8.6921 9.5638 9.5638 9.6114 9.6114 9.6795 9.6795 11.7753 11.7753 11.8522 11.8522 11.9842 11.9842 17.9145 17.9145 18.5607 18.5607 18.6719 18.6719 k = 0.0593 0.0593-0.0000 ( 2083 PWs) bands (ev): -24.3004 -24.3004 -10.2309 -10.2309 -10.2302 -10.2302 -9.2119 -9.2119 -9.2100 -9.2100 -9.1628 -9.1628 -6.7907 -6.7907 -6.5714 -6.5714 -6.2359 -6.2359 -5.7901 -5.7901 -5.2465 -5.2465 -5.0818 -5.0818 6.5265 6.5265 8.1923 8.1923 8.2944 8.2944 8.6090 8.6090 9.5838 9.5838 9.6230 9.6230 9.6756 9.6756 11.8129 11.8129 11.8875 11.8875 11.9875 11.9875 17.9877 17.9877 18.6373 18.6373 18.7339 18.7339 k = 0.0508 0.0508-0.0000 ( 2087 PWs) bands (ev): -24.3013 -24.3013 -10.2309 -10.2309 -10.2304 -10.2304 -9.2117 -9.2117 -9.2104 -9.2104 -9.1625 -9.1625 -6.7224 -6.7224 -6.5044 -6.5044 -6.2304 -6.2304 -5.8224 -5.8224 -5.3046 -5.3046 -5.1615 -5.1615 6.5986 6.5986 8.1879 8.1879 8.2928 8.2928 8.5303 8.5303 9.6025 9.6025 9.6332 9.6332 9.6726 9.6726 11.8445 11.8445 11.9190 11.9190 11.9912 11.9912 18.0550 18.0550 18.7081 18.7081 18.7955 18.7955 k = 0.0424 0.0424-0.0000 ( 2091 PWs) bands (ev): -24.3020 -24.3020 -10.2309 -10.2309 -10.2305 -10.2305 -9.2116 -9.2116 -9.2107 -9.2107 -9.1622 -9.1622 -6.6569 -6.6569 -6.4401 -6.4401 -6.2222 -6.2222 -5.8623 -5.8623 -5.3527 -5.3527 -5.2363 -5.2363 6.6653 6.6653 8.1826 8.1826 8.2914 8.2914 8.4587 8.4587 9.6192 9.6192 9.6418 9.6418 9.6704 9.6704 11.8702 11.8702 11.9464 11.9464 11.9952 11.9952 18.1157 18.1157 18.7728 18.7728 18.8540 18.8540 k = 0.0339 0.0339-0.0000 ( 2099 PWs) bands (ev): -24.3026 -24.3026 -10.2308 -10.2308 -10.2306 -10.2306 -9.2115 -9.2115 -9.2109 -9.2109 -9.1619 -9.1619 -6.5966 -6.5966 -6.3793 -6.3793 -6.2105 -6.2105 -5.9098 -5.9098 -5.3905 -5.3905 -5.3045 -5.3045 6.7248 6.7248 8.1760 8.1760 8.2902 8.2902 8.3969 8.3969 9.6332 9.6332 9.6486 9.6486 9.6693 9.6693 11.8902 11.8902 11.9692 11.9692 11.9995 11.9995 18.1686 18.1686 18.8315 18.8315 18.9051 18.9051 k = 0.0254 0.0254-0.0000 ( 2103 PWs) bands (ev): -24.3030 -24.3030 -10.2308 -10.2308 -10.2307 -10.2307 -9.2115 -9.2115 -9.2111 -9.2111 -9.1617 -9.1617 -6.5446 -6.5446 -6.3215 -6.3215 -6.1954 -6.1954 -5.9637 -5.9637 -5.4183 -5.4183 -5.3636 -5.3636 6.7750 6.7750 8.1677 8.1677 8.2893 8.2893 8.3479 8.3479 9.6440 9.6440 9.6532 9.6532 9.6696 9.6696 11.9047 11.9047 11.9873 11.9873 12.0038 12.0038 18.2125 18.2125 18.8845 18.8845 18.9431 18.9431 k = 0.0169 0.0169-0.0000 ( 2103 PWs) bands (ev): -24.3034 -24.3034 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2113 -9.2113 -9.1616 -9.1616 -6.5048 -6.5048 -6.2652 -6.2652 -6.1789 -6.1789 -6.0223 -6.0223 -5.4371 -5.4371 -5.4103 -5.4103 6.8133 6.8133 8.1584 8.1584 8.2886 8.2886 8.3136 8.3136 9.6514 9.6514 9.6558 9.6558 9.6711 9.6711 11.9144 11.9144 12.0004 12.0004 12.0075 12.0075 18.2456 18.2456 18.9307 18.9307 18.9639 18.9639 k = 0.0085 0.0085-0.0000 ( 2103 PWs) bands (ev): -24.3036 -24.3036 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2114 -9.2114 -9.1615 -9.1615 -6.4801 -6.4801 -6.2082 -6.2082 -6.1655 -6.1655 -6.0830 -6.0830 -5.4478 -5.4478 -5.4407 -5.4407 6.8375 6.8375 8.1504 8.1504 8.2882 8.2882 8.2942 8.2942 9.6556 9.6556 9.6568 9.6568 9.6728 9.6728 11.9198 11.9198 12.0083 12.0083 12.0101 12.0101 18.2664 18.2664 18.9640 18.9640 18.9706 18.9706 k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): -24.3036 -24.3036 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2114 -9.2114 -9.1615 -9.1615 -6.4719 -6.4719 -6.1604 -6.1604 -6.1604 -6.1604 -6.1325 -6.1325 -5.4513 -5.4513 -5.4513 -5.4513 6.8458 6.8458 8.1472 8.1472 8.2880 8.2880 8.2880 8.2880 9.6570 9.6570 9.6570 9.6570 9.6736 9.6736 11.9216 11.9216 12.0110 12.0110 12.0110 12.0110 18.2735 18.2735 18.9716 18.9716 18.9716 18.9897 k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): -24.3036 -24.3036 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2114 -9.2114 -9.1615 -9.1615 -6.4719 -6.4719 -6.1604 -6.1604 -6.1604 -6.1604 -6.1325 -6.1325 -5.4513 -5.4513 -5.4513 -5.4513 6.8458 6.8458 8.1472 8.1472 8.2880 8.2880 8.2880 8.2880 9.6570 9.6570 9.6570 9.6570 9.6736 9.6736 11.9216 11.9216 12.0110 12.0110 12.0110 12.0110 18.2735 18.2735 18.9716 18.9716 18.9716 18.9720 k = 0.0069 0.0069 0.0069 ( 2103 PWs) bands (ev): -24.3036 -24.3036 -10.2308 -10.2308 -10.2308 -10.2308 -9.2114 -9.2114 -9.2114 -9.2114 -9.1615 -9.1615 -6.4801 -6.4801 -6.2075 -6.2075 -6.1677 -6.1677 -6.0818 -6.0818 -5.4450 -5.4450 -5.4434 -5.4434 6.8374 6.8374 8.1504 8.1504 8.2882 8.2882 8.2942 8.2942 9.6556 9.6556 9.6568 9.6568 9.6728 9.6728 11.9198 11.9198 12.0089 12.0089 12.0094 12.0094 18.2663 18.2663 18.9656 18.9656 18.9680 18.9680 k = 0.0139 0.0139 0.0139 ( 2103 PWs) bands (ev): -24.3034 -24.3034 -10.2308 -10.2308 -10.2307 -10.2307 -9.2114 -9.2114 -9.2113 -9.2113 -9.1616 -9.1616 -6.5038 -6.5038 -6.2628 -6.2628 -6.1886 -6.1886 -6.0161 -6.0161 -5.4266 -5.4266 -5.4205 -5.4205 6.8131 6.8131 8.1584 8.1584 8.2886 8.2886 8.3138 8.3138 9.6513 9.6513 9.6555 9.6555 9.6714 9.6714 11.9145 11.9145 12.0029 12.0029 12.0047 12.0047 18.2454 18.2454 18.9317 18.9317 18.9563 18.9563 k = 0.0208 0.0208 0.0208 ( 2103 PWs) bands (ev): -24.3030 -24.3030 -10.2308 -10.2308 -10.2307 -10.2307 -9.2115 -9.2115 -9.2111 -9.2111 -9.1617 -9.1617 -6.5403 -6.5403 -6.3164 -6.3164 -6.2210 -6.2210 -5.9471 -5.9471 -5.3973 -5.3973 -5.3850 -5.3850 6.7745 6.7745 8.1678 8.1678 8.2893 8.2893 8.3483 8.3483 9.6443 9.6443 9.6512 9.6512 9.6712 9.6712 11.9057 11.9057 11.9928 11.9928 11.9969 11.9969 18.2122 18.2122 18.8838 18.8838 18.9350 18.9350 k = 0.0278 0.0278 0.0278 ( 2103 PWs) bands (ev): -24.3026 -24.3026 -10.2309 -10.2309 -10.2306 -10.2306 -9.2116 -9.2116 -9.2109 -9.2109 -9.1619 -9.1619 -6.5861 -6.5861 -6.3691 -6.3691 -6.2620 -6.2620 -5.8756 -5.8756 -5.3587 -5.3587 -5.3395 -5.3395 6.7240 6.7240 8.1760 8.1760 8.2901 8.2901 8.3979 8.3979 9.6347 9.6347 9.6430 9.6430 9.6733 9.6733 11.8933 11.8933 11.9788 11.9788 11.9860 11.9860 18.1682 18.1682 18.8280 18.8280 18.9034 18.9034 k = 0.0347 0.0347 0.0347 ( 2085 PWs) bands (ev): -24.3020 -24.3020 -10.2309 -10.2309 -10.2305 -10.2305 -9.2117 -9.2117 -9.2106 -9.2106 -9.1622 -9.1622 -6.6381 -6.6381 -6.4219 -6.4219 -6.3094 -6.3094 -5.8019 -5.8019 -5.3123 -5.3123 -5.2864 -5.2864 6.6641 6.6641 8.1823 8.1823 8.2909 8.2909 8.4607 8.4607 9.6226 9.6226 9.6314 9.6314 9.6773 9.6773 11.8772 11.8772 11.9609 11.9609 11.9724 11.9724 18.1154 18.1154 18.7660 18.7660 18.8626 18.8626 k = 0.0417 0.0417 0.0417 ( 2085 PWs) bands (ev): -24.3013 -24.3013 -10.2310 -10.2310 -10.2303 -10.2303 -9.2118 -9.2118 -9.2103 -9.2103 -9.1625 -9.1625 -6.6940 -6.6940 -6.4755 -6.4755 -6.3612 -6.3612 -5.7266 -5.7266 -5.2599 -5.2599 -5.2276 -5.2276 6.5970 6.5970 8.1868 8.1868 8.2915 8.2915 8.5341 8.5341 9.6083 9.6083 9.6172 9.6172 9.6827 9.6827 11.8575 11.8575 11.9391 11.9391 11.9559 11.9559 18.0549 18.0549 18.6988 18.6988 18.8145 18.8145 k = 0.0486 0.0486 0.0486 ( 2079 PWs) bands (ev): -24.3004 -24.3004 -10.2310 -10.2310 -10.2301 -10.2301 -9.2120 -9.2120 -9.2099 -9.2099 -9.1629 -9.1629 -6.7521 -6.7521 -6.5302 -6.5302 -6.4160 -6.4160 -5.6498 -5.6498 -5.2026 -5.2026 -5.1645 -5.1645 6.5247 6.5247 8.1900 8.1900 8.2918 8.2918 8.6156 8.6156 9.5921 9.5921 9.6007 9.6007 9.6893 9.6893 11.8342 11.8342 11.9134 11.9134 11.9367 11.9367 17.9877 17.9877 18.6272 18.6272 18.7613 18.7613 k = 0.0556 0.0556 0.0556 ( 2079 PWs) bands (ev): -24.2994 -24.2994 -10.2311 -10.2311 -10.2299 -10.2299 -9.2121 -9.2121 -9.2095 -9.2095 -9.1633 -9.1633 -6.8113 -6.8113 -6.5857 -6.5857 -6.4729 -6.4729 -5.5717 -5.5717 -5.1413 -5.1413 -5.0982 -5.0982 6.4485 6.4485 8.1919 8.1919 8.2914 8.2914 8.7034 8.7034 9.5743 9.5743 9.5825 9.5825 9.6971 9.6971 11.8072 11.8072 11.8841 11.8841 11.9151 11.9151 17.9146 17.9146 18.5521 18.5521 18.7046 18.7046 k = 0.0625 0.0625 0.0625 ( 2073 PWs) bands (ev): -24.2983 -24.2983 -10.2312 -10.2312 -10.2297 -10.2297 -9.2123 -9.2123 -9.2090 -9.2090 -9.1638 -9.1638 -6.8709 -6.8709 -6.6420 -6.6420 -6.5311 -6.5311 -5.4924 -5.4924 -5.0768 -5.0768 -5.0292 -5.0292 6.3698 6.3698 8.1924 8.1924 8.2901 8.2901 8.7959 8.7959 9.5553 9.5553 9.5630 9.5630 9.7060 9.7060 11.7766 11.7766 11.8512 11.8512 11.8910 11.8910 17.8357 17.8357 18.4744 18.4744 18.6458 18.6458 k = 0.0694 0.0694 0.0694 ( 2067 PWs) bands (ev): -24.2971 -24.2971 -10.2312 -10.2312 -10.2294 -10.2294 -9.2125 -9.2125 -9.2084 -9.2084 -9.1643 -9.1643 -6.9305 -6.9305 -6.6987 -6.6987 -6.5901 -6.5901 -5.4120 -5.4120 -5.0097 -5.0097 -4.9582 -4.9582 6.2895 6.2895 8.1915 8.1915 8.2876 8.2876 8.8920 8.8920 9.5356 9.5356 9.5425 9.5425 9.7159 9.7159 11.7424 11.7424 11.8147 11.8147 11.8647 11.8647 17.7511 17.7511 18.3952 18.3952 18.5860 18.5860 k = 0.0764 0.0764 0.0764 ( 2061 PWs) bands (ev): -24.2958 -24.2958 -10.2314 -10.2314 -10.2291 -10.2291 -9.2127 -9.2127 -9.2079 -9.2079 -9.1649 -9.1649 -6.9897 -6.9897 -6.7558 -6.7558 -6.6495 -6.6495 -5.3306 -5.3306 -4.9405 -4.9405 -4.8855 -4.8855 6.2082 6.2082 8.1889 8.1889 8.2834 8.2834 8.9908 8.9908 9.5158 9.5158 9.5217 9.5217 9.7268 9.7268 11.7047 11.7047 11.7748 11.7748 11.8362 11.8362 17.6608 17.6608 18.3155 18.3155 18.5260 18.5260 k = 0.0833 0.0833 0.0833 ( 2064 PWs) bands (ev): -24.2943 -24.2943 -10.2315 -10.2315 -10.2288 -10.2288 -9.2130 -9.2130 -9.2072 -9.2072 -9.1655 -9.1655 -7.0485 -7.0485 -6.8129 -6.8129 -6.7090 -6.7090 -5.2484 -5.2484 -4.8695 -4.8695 -4.8115 -4.8115 6.1267 6.1267 8.1841 8.1841 8.2770 8.2770 9.0915 9.0915 9.4962 9.4962 9.5011 9.5011 9.7387 9.7387 11.6637 11.6637 11.7317 11.7317 11.8057 11.8057 17.5644 17.5644 18.2364 18.2364 18.4664 18.4664 k = 0.0903 0.0903 0.0903 ( 2070 PWs) bands (ev): -24.2928 -24.2928 -10.2316 -10.2316 -10.2285 -10.2285 -9.2133 -9.2133 -9.2065 -9.2065 -9.1662 -9.1662 -7.1067 -7.1067 -6.8700 -6.8700 -6.7685 -6.7685 -5.1653 -5.1653 -4.7970 -4.7970 -4.7363 -4.7363 6.0453 6.0453 8.1768 8.1768 8.2681 8.2681 9.1936 9.1936 9.4776 9.4776 9.4812 9.4812 9.7516 9.7516 11.6193 11.6193 11.6854 11.6854 11.7732 11.7732 17.4618 17.4618 18.1588 18.1588 18.4076 18.4076 k = 0.0972 0.0972 0.0972 ( 2070 PWs) bands (ev): -24.2911 -24.2911 -10.2318 -10.2318 -10.2281 -10.2281 -9.2135 -9.2135 -9.2058 -9.2058 -9.1669 -9.1669 -7.1641 -7.1641 -6.9268 -6.9268 -6.8277 -6.8277 -5.0815 -5.0815 -4.7232 -4.7232 -4.6601 -4.6601 5.9644 5.9644 8.1666 8.1666 8.2562 8.2562 9.2963 9.2963 9.4605 9.4605 9.4627 9.4627 9.7654 9.7654 11.5719 11.5719 11.6361 11.6361 11.7389 11.7389 17.3530 17.3530 18.0837 18.0837 18.3501 18.3501 k = 0.1042 0.1042 0.1042 ( 2070 PWs) bands (ev): -24.2893 -24.2893 -10.2320 -10.2320 -10.2277 -10.2277 -9.2139 -9.2139 -9.2051 -9.2051 -9.1677 -9.1677 -7.2207 -7.2207 -6.9832 -6.9832 -6.8865 -6.8865 -4.9970 -4.9970 -4.6482 -4.6482 -4.5831 -4.5831 5.8845 5.8845 8.1531 8.1531 8.2408 8.2408 9.3985 9.3985 9.4455 9.4455 9.4469 9.4469 9.7802 9.7802 11.5215 11.5215 11.5838 11.5838 11.7029 11.7029 17.2381 17.2381 18.0116 18.0116 18.2942 18.2942 k = 0.1111 0.1111 0.1111 ( 2076 PWs) bands (ev): -24.2875 -24.2875 -10.2322 -10.2322 -10.2273 -10.2273 -9.2142 -9.2142 -9.2043 -9.2043 -9.1686 -9.1686 -7.2765 -7.2765 -7.0392 -7.0392 -6.9449 -6.9449 -4.9119 -4.9119 -4.5724 -4.5724 -4.5054 -4.5054 5.8056 5.8056 8.1359 8.1359 8.2216 8.2216 9.4304 9.4304 9.4331 9.4331 9.5036 9.5036 9.7960 9.7960 11.4682 11.4682 11.5289 11.5289 11.6654 11.6654 17.1173 17.1173 17.9429 17.9429 18.2400 18.2400 k = 0.1181 0.1181 0.1181 ( 2076 PWs) bands (ev): -24.2855 -24.2855 -10.2324 -10.2324 -10.2269 -10.2269 -9.2146 -9.2146 -9.2035 -9.2035 -9.1694 -9.1694 -7.3312 -7.3312 -7.0945 -7.0945 -7.0026 -7.0026 -4.8262 -4.8262 -4.4956 -4.4956 -4.4270 -4.4270 5.7282 5.7282 8.1145 8.1145 8.1981 8.1981 9.4195 9.4195 9.4238 9.4238 9.6052 9.6052 9.8126 9.8126 11.4124 11.4124 11.4714 11.4714 11.6265 11.6265 16.9911 16.9911 17.8780 17.8780 18.1878 18.1878 k = 0.1250 0.1250 0.1250 ( 2073 PWs) bands (ev): -24.2834 -24.2834 -10.2326 -10.2326 -10.2264 -10.2264 -9.2151 -9.2151 -9.2026 -9.2026 -9.1703 -9.1703 -7.3851 -7.3851 -7.1492 -7.1492 -7.0597 -7.0597 -4.7400 -4.7400 -4.4182 -4.4182 -4.3481 -4.3481 5.6524 5.6524 8.0888 8.0888 8.1701 8.1701 9.4116 9.4116 9.4179 9.4179 9.7059 9.7059 9.8302 9.8302 11.3540 11.3540 11.4114 11.4114 11.5866 11.5866 16.8603 16.8603 17.8169 17.8169 18.1378 18.1378 k = 0.1319 0.1319 0.1319 ( 2085 PWs) bands (ev): -24.2812 -24.2812 -10.2329 -10.2329 -10.2260 -10.2260 -9.2156 -9.2156 -9.2018 -9.2018 -9.1713 -9.1713 -7.4379 -7.4379 -7.2032 -7.2032 -7.1160 -7.1160 -4.6534 -4.6534 -4.3401 -4.3401 -4.2687 -4.2687 5.5783 5.5783 8.0585 8.0585 8.1376 8.1376 9.4072 9.4072 9.4158 9.4158 9.8041 9.8041 9.8492 9.8492 11.2934 11.2934 11.3492 11.3492 11.5458 11.5458 16.7254 16.7254 17.7596 17.7596 18.0899 18.0899 k = 0.1389 0.1389 0.1389 ( 2085 PWs) bands (ev): -24.2790 -24.2790 -10.2332 -10.2332 -10.2255 -10.2255 -9.2162 -9.2162 -9.2009 -9.2009 -9.1723 -9.1723 -7.4897 -7.4897 -7.2563 -7.2563 -7.1716 -7.1716 -4.5664 -4.5664 -4.2614 -4.2614 -4.1889 -4.1889 5.5061 5.5061 8.0236 8.0236 8.1005 8.1005 9.4066 9.4066 9.4175 9.4175 9.8658 9.8658 9.9031 9.9031 11.2306 11.2306 11.2849 11.2849 11.5045 11.5045 16.5874 16.5874 17.7060 17.7060 18.0444 18.0444 k = 0.1458 0.1458 0.1458 ( 2088 PWs) bands (ev): -24.2766 -24.2766 -10.2336 -10.2336 -10.2250 -10.2250 -9.2169 -9.2169 -9.2001 -9.2001 -9.1733 -9.1733 -7.5406 -7.5406 -7.3087 -7.3087 -7.2263 -7.2263 -4.4790 -4.4790 -4.1823 -4.1823 -4.1088 -4.1088 5.4360 5.4360 7.9841 7.9841 8.0588 8.0588 9.4099 9.4099 9.4230 9.4230 9.8866 9.8866 9.9952 9.9952 11.1659 11.1659 11.2186 11.2186 11.4632 11.4632 16.4472 16.4472 17.6560 17.6560 18.0013 18.0013 k = 0.1528 0.1528 0.1528 ( 2088 PWs) bands (ev): -24.2742 -24.2742 -10.2339 -10.2339 -10.2246 -10.2246 -9.2178 -9.2178 -9.1993 -9.1993 -9.1743 -9.1743 -7.5903 -7.5903 -7.3600 -7.3600 -7.2800 -7.2800 -4.3915 -4.3915 -4.1027 -4.1027 -4.0284 -4.0284 5.3681 5.3681 7.9402 7.9402 8.0129 8.0129 9.4170 9.4170 9.4322 9.4322 9.9074 9.9074 10.0838 10.0838 11.0994 11.0994 11.1506 11.1506 11.4223 11.4223 16.3058 16.3058 17.6095 17.6095 17.9605 17.9605 k = 0.1597 0.1597 0.1597 ( 2076 PWs) bands (ev): -24.2717 -24.2717 -10.2344 -10.2344 -10.2241 -10.2241 -9.2187 -9.2187 -9.1984 -9.1984 -9.1753 -9.1753 -7.6389 -7.6389 -7.4104 -7.4104 -7.3328 -7.3328 -4.3037 -4.3037 -4.0227 -4.0227 -3.9478 -3.9478 5.3025 5.3025 7.8922 7.8922 7.9630 7.9630 9.4277 9.4277 9.4450 9.4450 9.9289 9.9289 10.1669 10.1669 11.0315 11.0315 11.0811 11.0811 11.3826 11.3826 16.1641 16.1641 17.5664 17.5664 17.9223 17.9223 k = 0.1667 0.1667 0.1667 ( 2064 PWs) bands (ev): -24.2692 -24.2692 -10.2348 -10.2348 -10.2236 -10.2236 -9.2198 -9.2198 -9.1977 -9.1977 -9.1764 -9.1764 -7.6864 -7.6864 -7.4598 -7.4598 -7.3847 -7.3847 -4.2158 -4.2158 -3.9425 -3.9425 -3.8670 -3.8670 5.2393 5.2393 7.8403 7.8403 7.9093 7.9093 9.4418 9.4418 9.4610 9.4610 9.9510 9.9510 10.2431 10.2431 10.9621 10.9621 11.0101 11.0101 11.3450 11.3450 16.0233 16.0233 17.5266 17.5266 17.8866 17.8866 k = 0.1736 0.1736 0.1736 ( 2082 PWs) bands (ev): -24.2665 -24.2665 -10.2353 -10.2353 -10.2232 -10.2232 -9.2211 -9.2211 -9.1969 -9.1969 -9.1774 -9.1774 -7.7328 -7.7328 -7.5082 -7.5082 -7.4355 -7.4355 -4.1279 -4.1279 -3.8620 -3.8620 -3.7861 -3.7861 5.1787 5.1787 7.7848 7.7848 7.8523 7.8523 9.4591 9.4591 9.4798 9.4798 9.9737 9.9737 10.3107 10.3107 10.8917 10.8917 10.9380 10.9380 11.3104 11.3104 15.8844 15.8844 17.4900 17.4900 17.8534 17.8534 k = 0.1806 0.1806 0.1806 ( 2082 PWs) bands (ev): -24.2639 -24.2639 -10.2359 -10.2359 -10.2228 -10.2228 -9.2226 -9.2226 -9.1962 -9.1962 -9.1785 -9.1785 -7.7780 -7.7780 -7.5555 -7.5555 -7.4853 -7.4853 -4.0399 -4.0399 -3.7813 -3.7813 -3.7052 -3.7052 5.1206 5.1206 7.7262 7.7262 7.7924 7.7924 9.4790 9.4790 9.5013 9.5013 9.9970 9.9970 10.3677 10.3677 10.8204 10.8204 10.8651 10.8651 11.2801 11.2801 15.7489 15.7489 17.4565 17.4565 17.8227 17.8227 k = 0.1875 0.1875 0.1875 ( 2082 PWs) bands (ev): -24.2611 -24.2611 -10.2364 -10.2364 -10.2225 -10.2225 -9.2244 -9.2244 -9.1955 -9.1955 -9.1795 -9.1795 -7.8221 -7.8221 -7.6016 -7.6016 -7.5340 -7.5340 -3.9521 -3.9521 -3.7005 -3.7005 -3.6243 -3.6243 5.0652 5.0652 7.6648 7.6648 7.7298 7.7298 9.5013 9.5013 9.5249 9.5249 10.0209 10.0209 10.4121 10.4121 10.7487 10.7487 10.7914 10.7914 11.2551 11.2551 15.6178 15.6178 17.4260 17.4260 17.7946 17.7946 k = 0.1944 0.1944 0.1944 ( 2085 PWs) bands (ev): -24.2584 -24.2584 -10.2371 -10.2371 -10.2221 -10.2221 -9.2264 -9.2264 -9.1950 -9.1950 -9.1806 -9.1806 -7.8649 -7.8649 -7.6466 -7.6466 -7.5816 -7.5816 -3.8645 -3.8645 -3.6196 -3.6196 -3.5435 -3.5435 5.0127 5.0127 7.6010 7.6010 7.6650 7.6650 9.5254 9.5254 9.5502 9.5502 10.0454 10.0454 10.4421 10.4421 10.6769 10.6769 10.7175 10.7175 11.2362 11.2362 15.4928 15.4928 17.3984 17.3984 17.7690 17.7690 k = 0.2014 0.2014 0.2014 ( 2079 PWs) bands (ev): -24.2555 -24.2555 -10.2378 -10.2378 -10.2219 -10.2219 -9.2287 -9.2287 -9.1945 -9.1945 -9.1817 -9.1817 -7.9064 -7.9064 -7.6904 -7.6904 -7.6280 -7.6280 -3.7771 -3.7771 -3.5386 -3.5386 -3.4627 -3.4627 4.9629 4.9629 7.5351 7.5351 7.5984 7.5984 9.5508 9.5508 9.5766 9.5766 10.0703 10.0703 10.4564 10.4564 10.6058 10.6058 10.6436 10.6436 11.2232 11.2232 15.3753 15.3753 17.3738 17.3738 17.7460 17.7460 k = 0.2083 0.2083 0.2083 ( 2079 PWs) bands (ev): -24.2526 -24.2526 -10.2385 -10.2385 -10.2217 -10.2217 -9.2313 -9.2313 -9.1941 -9.1941 -9.1828 -9.1828 -7.9467 -7.9467 -7.7330 -7.7330 -7.6732 -7.6732 -3.6900 -3.6900 -3.4576 -3.4576 -3.3821 -3.3821 4.9161 4.9161 7.4675 7.4675 7.5301 7.5301 9.5769 9.5769 9.6037 9.6037 10.0957 10.0957 10.4542 10.4542 10.5367 10.5367 10.5702 10.5702 11.2148 11.2148 15.2669 15.2669 17.3520 17.3520 17.7255 17.7255 k = 0.2153 0.2153 0.2153 ( 2082 PWs) bands (ev): -24.2498 -24.2498 -10.2393 -10.2393 -10.2216 -10.2216 -9.2342 -9.2342 -9.1938 -9.1938 -9.1839 -9.1839 -7.9856 -7.9856 -7.7743 -7.7743 -7.7173 -7.7173 -3.6033 -3.6033 -3.3767 -3.3767 -3.3017 -3.3017 4.8723 4.8723 7.3984 7.3984 7.4606 7.4606 9.6029 9.6029 9.6306 9.6306 10.1215 10.1215 10.4319 10.4319 10.4753 10.4753 10.4981 10.4981 11.2084 11.2084 15.1694 15.1694 17.3331 17.3331 17.7076 17.7076 k = 0.2222 0.2222 0.2222 ( 2082 PWs) bands (ev): -24.2468 -24.2468 -10.2402 -10.2402 -10.2215 -10.2215 -9.2375 -9.2375 -9.1936 -9.1936 -9.1851 -9.1851 -8.0232 -8.0232 -7.8144 -7.8144 -7.7601 -7.7601 -3.5171 -3.5171 -3.2959 -3.2959 -3.2216 -3.2216 4.8315 4.8315 7.3283 7.3283 7.3902 7.3902 9.6278 9.6278 9.6563 9.6563 10.1477 10.1477 10.3823 10.3823 10.4280 10.4280 10.4317 10.4317 11.2009 11.2009 15.0842 15.0842 17.3168 17.3168 17.6921 17.6921 k = 0.2292 0.2292 0.2292 ( 2076 PWs) bands (ev): -24.2439 -24.2439 -10.2411 -10.2411 -10.2216 -10.2216 -9.2411 -9.2411 -9.1935 -9.1935 -9.1864 -9.1864 -8.0594 -8.0594 -7.8532 -7.8532 -7.8016 -7.8016 -3.4314 -3.4314 -3.2152 -3.2152 -3.1418 -3.1418 4.7938 4.7938 7.2574 7.2574 7.3190 7.3190 9.6500 9.6500 9.6794 9.6794 10.1742 10.1742 10.3222 10.3222 10.3614 10.3614 10.3928 10.3928 11.1887 11.1887 15.0130 15.0130 17.3033 17.3033 17.6792 17.6792 k = 0.2361 0.2361 0.2361 ( 2076 PWs) bands (ev): -24.2409 -24.2409 -10.2421 -10.2421 -10.2217 -10.2217 -9.2451 -9.2451 -9.1936 -9.1936 -9.1878 -9.1878 -8.0941 -8.0941 -7.8908 -7.8908 -7.8418 -7.8418 -3.3464 -3.3464 -3.1348 -3.1348 -3.0624 -3.0624 4.7592 4.7592 7.1858 7.1858 7.2474 7.2474 9.6676 9.6676 9.6980 9.6980 10.2008 10.2008 10.2648 10.2648 10.3001 10.3001 10.3494 10.3494 11.1690 11.1690 14.9570 14.9570 17.2925 17.2925 17.6688 17.6688 k = 0.2431 0.2431 0.2431 ( 2076 PWs) bands (ev): -24.2380 -24.2380 -10.2431 -10.2431 -10.2220 -10.2220 -9.2494 -9.2494 -9.1939 -9.1939 -9.1893 -9.1893 -8.1274 -8.1274 -7.9270 -7.9270 -7.8808 -7.8808 -3.2621 -3.2621 -3.0546 -3.0546 -2.9835 -2.9835 4.7279 4.7279 7.1140 7.1140 7.1755 7.1755 9.6777 9.6777 9.7093 9.7093 10.2143 10.2143 10.2275 10.2275 10.2469 10.2469 10.3016 10.3016 11.1391 11.1391 14.9173 14.9173 17.2843 17.2843 17.6608 17.6608 k = 0.2500 0.2500 0.2500 ( 2082 PWs) bands (ev): -24.2350 -24.2350 -10.2442 -10.2442 -10.2224 -10.2224 -9.2542 -9.2542 -9.1943 -9.1943 -9.1910 -9.1910 -8.1591 -8.1591 -7.9619 -7.9619 -7.9184 -7.9184 -3.1787 -3.1787 -2.9748 -2.9748 -2.9051 -2.9051 4.6998 4.6998 7.0420 7.0420 7.1036 7.1036 9.6771 9.6771 9.7098 9.7098 10.1753 10.1753 10.2052 10.2052 10.2416 10.2416 10.2624 10.2624 11.0976 11.0976 14.8946 14.8946 17.2786 17.2786 17.6552 17.6552 k = 0.2569 0.2569 0.2569 ( 2076 PWs) bands (ev): -24.2320 -24.2320 -10.2453 -10.2453 -10.2229 -10.2229 -9.2593 -9.2593 -9.1949 -9.1949 -9.1928 -9.1928 -8.1893 -8.1893 -7.9955 -7.9955 -7.9547 -7.9547 -3.0960 -3.0960 -2.8954 -2.8954 -2.8272 -2.8272 4.6750 4.6750 6.9702 6.9702 7.0319 7.0319 9.6627 9.6627 9.6962 9.6962 10.1491 10.1491 10.1782 10.1782 10.1930 10.1930 10.2843 10.2843 11.0434 11.0434 14.8888 14.8888 17.2756 17.2756 17.6521 17.6521 k = 0.2639 0.2639 0.2639 ( 2076 PWs) bands (ev): -24.2290 -24.2290 -10.2465 -10.2465 -10.2236 -10.2236 -9.2649 -9.2649 -9.1957 -9.1957 -9.1948 -9.1948 -8.2179 -8.2179 -8.0277 -8.0277 -7.9897 -7.9897 -3.0144 -3.0144 -2.8164 -2.8164 -2.7500 -2.7500 4.6535 4.6535 6.8986 6.8986 6.9605 6.9605 9.6336 9.6336 9.6672 9.6672 10.1230 10.1230 10.1523 10.1523 10.1672 10.1672 10.3113 10.3113 10.9764 10.9764 14.8998 14.8998 17.2750 17.2750 17.6513 17.6513 k = 0.2708 0.2708 0.2708 ( 2076 PWs) bands (ev): -24.2261 -24.2261 -10.2478 -10.2478 -10.2244 -10.2244 -9.2708 -9.2708 -9.1971 -9.1971 -9.1967 -9.1967 -8.2448 -8.2448 -8.0586 -8.0586 -8.0232 -8.0232 -2.9338 -2.9338 -2.7381 -2.7381 -2.6736 -2.6736 4.6353 4.6353 6.8275 6.8275 6.8897 6.8897 9.5912 9.5912 9.6245 9.6245 10.0687 10.0687 10.1513 10.1513 10.1707 10.1707 10.3387 10.3387 10.8969 10.8969 14.9268 14.9268 17.2769 17.2769 17.6527 17.6527 k = 0.2778 0.2778 0.2778 ( 2082 PWs) bands (ev): -24.2232 -24.2232 -10.2492 -10.2492 -10.2254 -10.2254 -9.2772 -9.2772 -9.1995 -9.1995 -9.1980 -9.1980 -8.2701 -8.2701 -8.0882 -8.0882 -8.0554 -8.0554 -2.8543 -2.8543 -2.6604 -2.6604 -2.5979 -2.5979 4.6205 4.6205 6.7571 6.7571 6.8195 6.8195 9.5389 9.5389 9.5711 9.5711 10.0082 10.0082 10.1657 10.1657 10.1853 10.1853 10.3661 10.3661 10.8056 10.8056 14.9687 14.9687 17.2811 17.2811 17.6565 17.6565 k = 0.2847 0.2847 0.2847 ( 2082 PWs) bands (ev): -24.2202 -24.2202 -10.2506 -10.2506 -10.2266 -10.2266 -9.2841 -9.2841 -9.2022 -9.2022 -9.1994 -9.1994 -8.2938 -8.2938 -8.1165 -8.1165 -8.0862 -8.0862 -2.7760 -2.7760 -2.5833 -2.5833 -2.5232 -2.5232 4.6092 4.6092 6.6875 6.6875 6.7502 6.7502 9.4796 9.4796 9.5106 9.5106 9.9460 9.9460 10.1884 10.1884 10.2077 10.2077 10.3935 10.3935 10.7037 10.7037 15.0243 15.0243 17.2878 17.2878 17.6624 17.6624 k = 0.2917 0.2917 0.2917 ( 2082 PWs) bands (ev): -24.2174 -24.2174 -10.2520 -10.2520 -10.2279 -10.2279 -9.2913 -9.2913 -9.2050 -9.2050 -9.2011 -9.2011 -8.3158 -8.3158 -8.1434 -8.1434 -8.1156 -8.1156 -2.6990 -2.6990 -2.5071 -2.5071 -2.4494 -2.4494 4.6013 4.6013 6.6188 6.6188 6.6818 6.6818 9.4159 9.4159 9.4455 9.4455 9.8830 9.8830 10.2162 10.2162 10.2353 10.2353 10.4208 10.4208 10.5924 10.5924 15.0921 15.0921 17.2967 17.2967 17.6705 17.6705 k = 0.2986 0.2986 0.2986 ( 2088 PWs) bands (ev): -24.2145 -24.2145 -10.2535 -10.2535 -10.2294 -10.2294 -9.2990 -9.2990 -9.2081 -9.2081 -9.2030 -9.2030 -8.3362 -8.3362 -8.1690 -8.1690 -8.1436 -8.1436 -2.6234 -2.6234 -2.4319 -2.4319 -2.3766 -2.3766 4.5968 4.5968 6.5512 6.5512 6.6146 6.6146 9.3495 9.3495 9.3777 9.3777 9.8195 9.8195 10.2475 10.2475 10.2663 10.2663 10.4476 10.4476 10.4732 10.4732 15.1708 15.1708 17.3079 17.3079 17.6807 17.6807 k = 0.3056 0.3056 0.3056 ( 2094 PWs) bands (ev): -24.2117 -24.2117 -10.2551 -10.2551 -10.2311 -10.2311 -9.3072 -9.3072 -9.2113 -9.2113 -9.2051 -9.2051 -8.3549 -8.3549 -8.1934 -8.1934 -8.1702 -8.1702 -2.5492 -2.5492 -2.3576 -2.3576 -2.3050 -2.3050 4.5958 4.5958 6.4848 6.4848 6.5485 6.5485 9.2816 9.2816 9.3083 9.3083 9.7559 9.7559 10.2810 10.2810 10.2995 10.2995 10.3463 10.3463 10.4750 10.4750 15.2590 15.2590 17.3212 17.3212 17.6928 17.6928 k = 0.3125 0.3125 0.3125 ( 2094 PWs) bands (ev): -24.2089 -24.2089 -10.2567 -10.2567 -10.2329 -10.2329 -9.3157 -9.3157 -9.2147 -9.2147 -9.2074 -9.2074 -8.3719 -8.3719 -8.2165 -8.2165 -8.1954 -8.1954 -2.4765 -2.4765 -2.2844 -2.2844 -2.2345 -2.2345 4.5982 4.5982 6.4197 6.4197 6.4839 6.4839 9.2130 9.2130 9.2382 9.2382 9.6924 9.6924 10.2142 10.2142 10.3157 10.3157 10.3339 10.3339 10.5016 10.5016 15.3554 15.3554 17.3367 17.3367 17.7068 17.7068 k = 0.3194 0.3194 0.3194 ( 2094 PWs) bands (ev): -24.2062 -24.2062 -10.2583 -10.2583 -10.2349 -10.2349 -9.3246 -9.3246 -9.2182 -9.2182 -9.2100 -9.2100 -8.3874 -8.3874 -8.2383 -8.2383 -8.2192 -8.2192 -2.4053 -2.4053 -2.2125 -2.2125 -2.1654 -2.1654 4.6041 4.6041 6.3561 6.3561 6.4206 6.4206 9.1444 9.1444 9.1681 9.1681 9.6292 9.6292 10.0775 10.0775 10.3512 10.3512 10.3690 10.3690 10.5279 10.5279 15.4588 15.4588 17.3543 17.3543 17.7227 17.7227 k = 0.3264 0.3264 0.3264 ( 2094 PWs) bands (ev): -24.2036 -24.2036 -10.2600 -10.2600 -10.2370 -10.2370 -9.3339 -9.3339 -9.2219 -9.2219 -9.2127 -9.2127 -8.4014 -8.4014 -8.2589 -8.2589 -8.2417 -8.2417 -2.3359 -2.3359 -2.1419 -2.1419 -2.0976 -2.0976 4.6135 4.6135 6.2941 6.2941 6.3590 6.3590 9.0761 9.0761 9.0985 9.0985 9.5665 9.5665 9.9373 9.9373 10.3870 10.3870 10.4045 10.4045 10.5538 10.5538 15.5680 15.5680 17.3738 17.3738 17.7402 17.7402 k = 0.3333 0.3333 0.3333 ( 2100 PWs) bands (ev): -24.2010 -24.2010 -10.2617 -10.2617 -10.2393 -10.2393 -9.3435 -9.3435 -9.2256 -9.2256 -9.2157 -9.2157 -8.4139 -8.4139 -8.2783 -8.2783 -8.2629 -8.2629 -2.2682 -2.2682 -2.0728 -2.0728 -2.0314 -2.0314 4.6262 4.6262 6.2337 6.2337 6.2989 6.2989 9.0086 9.0086 9.0295 9.0295 9.5043 9.5043 9.7946 9.7946 10.4227 10.4227 10.4398 10.4398 10.5792 10.5792 15.6820 15.6820 17.3952 17.3952 17.7594 17.7594 k = 0.3403 0.3403 0.3403 ( 2094 PWs) bands (ev): -24.1984 -24.1984 -10.2634 -10.2634 -10.2418 -10.2418 -9.3534 -9.3534 -9.2293 -9.2293 -9.2188 -9.2188 -8.4250 -8.4250 -8.2965 -8.2965 -8.2827 -8.2827 -2.2022 -2.2022 -2.0052 -2.0052 -1.9666 -1.9666 4.6425 4.6425 6.1751 6.1751 6.2407 6.2407 8.9422 8.9422 8.9617 8.9617 9.4426 9.4426 9.6504 9.6504 10.4580 10.4580 10.4749 10.4749 10.6042 10.6042 15.7998 15.7998 17.4186 17.4186 17.7800 17.7800 k = 0.3472 0.3472 0.3472 ( 2094 PWs) bands (ev): -24.1959 -24.1959 -10.2652 -10.2652 -10.2444 -10.2444 -9.3635 -9.3635 -9.2331 -9.2331 -9.2221 -9.2221 -8.4347 -8.4347 -8.3136 -8.3136 -8.3013 -8.3013 -2.1382 -2.1382 -1.9394 -1.9394 -1.9036 -1.9036 4.6621 4.6621 6.1183 6.1183 6.1843 6.1843 8.8771 8.8771 8.8952 8.8952 9.3805 9.3805 9.5065 9.5065 10.4928 10.4928 10.5094 10.5094 10.6285 10.6285 15.9204 15.9204 17.4437 17.4437 17.8020 17.8020 k = 0.3542 0.3542 0.3542 ( 2088 PWs) bands (ev): -24.1935 -24.1935 -10.2670 -10.2670 -10.2470 -10.2470 -9.3738 -9.3738 -9.2368 -9.2368 -9.2256 -9.2256 -8.4432 -8.4432 -8.3296 -8.3296 -8.3186 -8.3186 -2.0762 -2.0762 -1.8753 -1.8753 -1.8424 -1.8424 4.6850 4.6850 6.0635 6.0635 6.1298 6.1298 8.8134 8.8134 8.8302 8.8302 9.3111 9.3111 9.3706 9.3706 10.5269 10.5269 10.5432 10.5432 10.6523 10.6523 16.0431 16.0431 17.4705 17.4705 17.8252 17.8252 k = 0.3611 0.3611 0.3611 ( 2088 PWs) bands (ev): -24.1912 -24.1912 -10.2687 -10.2687 -10.2498 -10.2498 -9.3842 -9.3842 -9.2405 -9.2405 -9.2291 -9.2291 -8.4506 -8.4506 -8.3446 -8.3446 -8.3347 -8.3347 -2.0162 -2.0162 -1.8131 -1.8131 -1.7831 -1.7831 4.7112 4.7112 6.0107 6.0107 6.0773 6.0773 8.7515 8.7515 8.7669 8.7669 9.1968 9.1968 9.2811 9.2811 10.5601 10.5601 10.5761 10.5761 10.6754 10.6754 16.1669 16.1669 17.4990 17.4990 17.8494 17.8494 k = 0.3681 0.3681 0.3681 ( 2088 PWs) bands (ev): -24.1890 -24.1890 -10.2705 -10.2705 -10.2527 -10.2527 -9.3947 -9.3947 -9.2441 -9.2441 -9.2328 -9.2328 -8.4569 -8.4569 -8.3585 -8.3585 -8.3497 -8.3497 -1.9585 -1.9585 -1.7531 -1.7531 -1.7257 -1.7257 4.7407 4.7407 5.9600 5.9600 6.0269 6.0269 8.6915 8.6915 8.7056 8.7056 9.0555 9.0555 9.2207 9.2207 10.5923 10.5923 10.6081 10.6081 10.6978 10.6978 16.2909 16.2909 17.5292 17.5292 17.8744 17.8744 k = 0.3750 0.3750 0.3750 ( 2100 PWs) bands (ev): -24.1869 -24.1869 -10.2723 -10.2723 -10.2556 -10.2556 -9.4051 -9.4051 -9.2476 -9.2476 -9.2365 -9.2365 -8.4622 -8.4622 -8.3714 -8.3714 -8.3635 -8.3635 -1.9029 -1.9029 -1.6952 -1.6952 -1.6705 -1.6705 4.7733 4.7733 5.9115 5.9115 5.9787 5.9787 8.6334 8.6334 8.6463 8.6463 8.9118 8.9118 9.1656 9.1656 10.6234 10.6234 10.6389 10.6389 10.7194 10.7194 16.4143 16.4143 17.5610 17.5610 17.9002 17.9002 k = 0.3819 0.3819 0.3819 ( 2094 PWs) bands (ev): -24.1848 -24.1848 -10.2740 -10.2740 -10.2586 -10.2586 -9.4154 -9.4154 -9.2510 -9.2510 -9.2402 -9.2402 -8.4667 -8.4667 -8.3833 -8.3833 -8.3762 -8.3762 -1.8497 -1.8497 -1.6396 -1.6396 -1.6174 -1.6174 4.8089 4.8089 5.8653 5.8653 5.9327 5.9327 8.5776 8.5776 8.5893 8.5893 8.7686 8.7686 9.1132 9.1132 10.6533 10.6533 10.6686 10.6686 10.7402 10.7402 16.5361 16.5361 17.5945 17.5945 17.9264 17.9264 k = 0.3889 0.3889 0.3889 ( 2094 PWs) bands (ev): -24.1828 -24.1828 -10.2757 -10.2757 -10.2615 -10.2615 -9.4256 -9.4256 -9.2543 -9.2543 -9.2440 -9.2440 -8.4704 -8.4704 -8.3943 -8.3943 -8.3878 -8.3878 -1.7989 -1.7989 -1.5864 -1.5864 -1.5667 -1.5667 4.8475 4.8475 5.8213 5.8213 5.8890 5.8890 8.5241 8.5241 8.5347 8.5347 8.6272 8.6272 9.0633 9.0633 10.6818 10.6818 10.6970 10.6970 10.7601 10.7601 16.6555 16.6555 17.6298 17.6298 17.9530 17.9530 k = 0.3958 0.3958 0.3958 ( 2088 PWs) bands (ev): -24.1810 -24.1810 -10.2774 -10.2774 -10.2645 -10.2645 -9.4355 -9.4355 -9.2574 -9.2574 -9.2477 -9.2477 -8.4734 -8.4734 -8.4044 -8.4044 -8.3985 -8.3985 -1.7506 -1.7506 -1.5358 -1.5358 -1.5184 -1.5184 4.8887 4.8887 5.7798 5.7798 5.8476 5.8476 8.4723 8.4723 8.4826 8.4826 8.4887 8.4887 9.0157 9.0157 10.7089 10.7089 10.7240 10.7240 10.7791 10.7791 16.7713 16.7713 17.6668 17.6668 17.9796 17.9796 k = 0.4028 0.4028 0.4028 ( 2088 PWs) bands (ev): -24.1792 -24.1792 -10.2790 -10.2790 -10.2674 -10.2674 -9.4451 -9.4451 -9.2603 -9.2603 -9.2513 -9.2513 -8.4758 -8.4758 -8.4136 -8.4136 -8.4082 -8.4082 -1.7050 -1.7050 -1.4878 -1.4878 -1.4726 -1.4726 4.9325 4.9325 5.7408 5.7408 5.8086 5.8086 8.3508 8.3508 8.4252 8.4252 8.4331 8.4331 8.9705 8.9705 10.7345 10.7345 10.7496 10.7496 10.7971 10.7971 16.8824 16.8824 17.7059 17.7059 18.0061 18.0061 k = 0.4097 0.4097 0.4097 ( 2088 PWs) bands (ev): -24.1776 -24.1776 -10.2806 -10.2806 -10.2703 -10.2703 -9.4543 -9.4543 -9.2631 -9.2631 -9.2549 -9.2549 -8.4777 -8.4777 -8.4220 -8.4220 -8.4170 -8.4170 -1.6620 -1.6620 -1.4425 -1.4425 -1.4294 -1.4294 4.9786 4.9786 5.7042 5.7042 5.7721 5.7721 8.2175 8.2175 8.3794 8.3794 8.3865 8.3865 8.9278 8.9278 10.7586 10.7586 10.7736 10.7736 10.8142 10.8142 16.9877 16.9877 17.7470 17.7470 18.0322 18.0322 k = 0.4167 0.4167 0.4167 ( 2091 PWs) bands (ev): -24.1760 -24.1760 -10.2820 -10.2820 -10.2731 -10.2731 -9.4631 -9.4631 -9.2656 -9.2656 -9.2583 -9.2583 -8.4792 -8.4792 -8.4296 -8.4296 -8.4250 -8.4250 -1.6218 -1.6218 -1.4002 -1.4002 -1.3889 -1.3889 5.0266 5.0266 5.6703 5.6703 5.7380 5.7380 8.0879 8.0879 8.3367 8.3367 8.3428 8.3428 8.8877 8.8877 10.7810 10.7810 10.7961 10.7961 10.8302 10.8302 17.0860 17.0860 17.7904 17.7904 18.0576 18.0576 k = 0.4236 0.4236 0.4236 ( 2091 PWs) bands (ev): -24.1746 -24.1746 -10.2834 -10.2834 -10.2757 -10.2757 -9.4714 -9.4714 -9.2680 -9.2680 -9.2615 -9.2615 -8.4804 -8.4804 -8.4364 -8.4364 -8.4321 -8.4321 -1.5844 -1.5844 -1.3608 -1.3608 -1.3513 -1.3513 5.0762 5.0762 5.6391 5.6391 5.7066 5.7066 7.9624 7.9624 8.2969 8.2969 8.3021 8.3021 8.8504 8.8504 10.8017 10.8017 10.8170 10.8170 10.8452 10.8452 17.1764 17.1764 17.8361 17.8361 18.0823 18.0823 k = 0.4306 0.4306 0.4306 ( 2092 PWs) bands (ev): -24.1733 -24.1733 -10.2848 -10.2848 -10.2782 -10.2782 -9.4791 -9.4791 -9.2702 -9.2702 -9.2646 -9.2646 -8.4813 -8.4813 -8.4425 -8.4425 -8.4385 -8.4385 -1.5500 -1.5500 -1.3244 -1.3244 -1.3166 -1.3166 5.1269 5.1269 5.6106 5.6106 5.6777 5.6777 7.8419 7.8419 8.2602 8.2602 8.2645 8.2645 8.8159 8.8159 10.8208 10.8208 10.8362 10.8362 10.8590 10.8590 17.2578 17.2578 17.8840 17.8840 18.1058 18.1058 k = 0.4375 0.4375 0.4375 ( 2092 PWs) bands (ev): -24.1721 -24.1721 -10.2860 -10.2860 -10.2806 -10.2806 -9.4863 -9.4863 -9.2722 -9.2722 -9.2675 -9.2675 -8.4821 -8.4821 -8.4478 -8.4478 -8.4441 -8.4441 -1.5186 -1.5186 -1.2912 -1.2912 -1.2849 -1.2849 5.1779 5.1779 5.5851 5.5851 5.6514 5.6514 7.7268 7.7268 8.2266 8.2266 8.2302 8.2302 8.7843 8.7843 10.8380 10.8380 10.8537 10.8537 10.8717 10.8717 17.3297 17.3297 17.9334 17.9334 18.1280 18.1280 k = 0.4444 0.4444 0.4444 ( 2092 PWs) bands (ev): -24.1710 -24.1710 -10.2871 -10.2871 -10.2828 -10.2828 -9.4928 -9.4928 -9.2740 -9.2740 -9.2701 -9.2701 -8.4827 -8.4827 -8.4523 -8.4523 -8.4491 -8.4491 -1.4903 -1.4903 -1.2613 -1.2613 -1.2563 -1.2563 5.2286 5.2286 5.5626 5.5626 5.6278 5.6278 7.6182 7.6182 8.1964 8.1964 8.1992 8.1992 8.7558 8.7558 10.8535 10.8535 10.8694 10.8694 10.8833 10.8833 17.3920 17.3920 17.9834 17.9834 18.1487 18.1487 k = 0.4514 0.4514 0.4514 ( 2092 PWs) bands (ev): -24.1700 -24.1700 -10.2881 -10.2881 -10.2847 -10.2847 -9.4986 -9.4986 -9.2755 -9.2755 -9.2725 -9.2725 -8.4832 -8.4832 -8.4562 -8.4562 -8.4533 -8.4533 -1.4652 -1.4652 -1.2347 -1.2347 -1.2308 -1.2308 5.2776 5.2776 5.5435 5.5435 5.6069 5.6069 7.5170 7.5170 8.1695 8.1695 8.1717 8.1717 8.7305 8.7305 10.8670 10.8670 10.8834 10.8834 10.8937 10.8937 17.4448 17.4448 18.0328 18.0328 18.1675 18.1675 k = 0.4583 0.4583 0.4583 ( 2092 PWs) bands (ev): -24.1692 -24.1692 -10.2890 -10.2890 -10.2865 -10.2865 -9.5037 -9.5037 -9.2769 -9.2769 -9.2746 -9.2746 -8.4837 -8.4837 -8.4593 -8.4593 -8.4570 -8.4570 -1.4433 -1.4433 -1.2115 -1.2115 -1.2086 -1.2086 5.3236 5.3236 5.5282 5.5282 5.5888 5.5888 7.4242 7.4242 8.1460 8.1460 8.1476 8.1476 8.7083 8.7083 10.8787 10.8787 10.8956 10.8956 10.9029 10.9029 17.4888 17.4888 18.0800 18.0800 18.1843 18.1843 k = 0.4653 0.4653 0.4653 ( 2092 PWs) bands (ev): -24.1685 -24.1685 -10.2898 -10.2898 -10.2880 -10.2880 -9.5081 -9.5081 -9.2780 -9.2780 -9.2764 -9.2764 -8.4842 -8.4842 -8.4618 -8.4618 -8.4600 -8.4600 -1.4246 -1.4246 -1.1917 -1.1917 -1.1897 -1.1897 5.3643 5.3643 5.5178 5.5178 5.5734 5.5734 7.3414 7.3414 8.1261 8.1261 8.1272 8.1272 8.6894 8.6894 10.8885 10.8885 10.9059 10.9059 10.9108 10.9108 17.5246 17.5246 18.1232 18.1232 18.1989 18.1989 k = 0.4722 0.4722 0.4722 ( 2092 PWs) bands (ev): -24.1679 -24.1679 -10.2904 -10.2904 -10.2893 -10.2893 -9.5118 -9.5118 -9.2790 -9.2790 -9.2779 -9.2779 -8.4847 -8.4847 -8.4637 -8.4637 -8.4624 -8.4624 -1.4093 -1.4093 -1.1755 -1.1755 -1.1742 -1.1742 5.3965 5.3965 5.5137 5.5137 5.5607 5.5607 7.2700 7.2700 8.1096 8.1096 8.1104 8.1104 8.6739 8.6739 10.8965 10.8965 10.9144 10.9144 10.9174 10.9174 17.5529 17.5529 18.1609 18.1609 18.2111 18.2111 k = 0.4792 0.4792 0.4792 ( 2092 PWs) bands (ev): -24.1675 -24.1675 -10.2909 -10.2909 -10.2903 -10.2903 -9.5146 -9.5146 -9.2797 -9.2797 -9.2791 -9.2791 -8.4851 -8.4851 -8.4651 -8.4651 -8.4643 -8.4643 -1.3974 -1.3974 -1.1628 -1.1628 -1.1621 -1.1621 5.4175 5.4175 5.5173 5.5173 5.5509 5.5509 7.2118 7.2118 8.0968 8.0968 8.0972 8.0972 8.6618 8.6618 10.9026 10.9026 10.9210 10.9210 10.9227 10.9227 17.5743 17.5743 18.1918 18.1918 18.2208 18.2208 k = 0.4861 0.4861 0.4861 ( 2080 PWs) bands (ev): -24.1671 -24.1671 -10.2913 -10.2913 -10.2910 -10.2910 -9.5166 -9.5166 -9.2802 -9.2802 -9.2800 -9.2800 -8.4855 -8.4855 -8.4660 -8.4660 -8.4656 -8.4656 -1.3888 -1.3888 -1.1537 -1.1537 -1.1533 -1.1533 5.4276 5.4276 5.5263 5.5263 5.5439 5.5439 7.1686 7.1686 8.0877 8.0877 8.0878 8.0878 8.6531 8.6531 10.9070 10.9070 10.9257 10.9257 10.9265 10.9265 17.5892 17.5892 18.2147 18.2147 18.2278 18.2278 k = 0.4931 0.4931 0.4931 ( 2068 PWs) bands (ev): -24.1669 -24.1669 -10.2915 -10.2915 -10.2914 -10.2914 -9.5179 -9.5179 -9.2805 -9.2805 -9.2805 -9.2805 -8.4857 -8.4857 -8.4665 -8.4665 -8.4664 -8.4664 -1.3836 -1.3836 -1.1482 -1.1482 -1.1481 -1.1481 5.4313 5.4313 5.5349 5.5349 5.5396 5.5396 7.1419 7.1419 8.0822 8.0822 8.0822 8.0822 8.6478 8.6478 10.9096 10.9096 10.9286 10.9286 10.9288 10.9288 17.5981 17.5981 18.2287 18.2287 18.2320 18.2320 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -24.1668 -24.1668 -10.2915 -10.2915 -10.2915 -10.2915 -9.5182 -9.5182 -9.2806 -9.2806 -9.2806 -9.2806 -8.4857 -8.4857 -8.4666 -8.4666 -8.4666 -8.4666 -1.3817 -1.3817 -1.1462 -1.1462 -1.1462 -1.1462 5.4322 5.4322 5.5383 5.5383 5.5383 5.5383 7.1329 7.1329 8.0804 8.0804 8.0804 8.0804 8.6461 8.6461 10.9105 10.9105 10.9296 10.9296 10.9296 10.9296 17.6011 17.6011 18.2335 18.2335 18.2335 18.2335 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -24.1668 -24.1668 -10.2915 -10.2915 -10.2915 -10.2915 -9.5182 -9.5182 -9.2806 -9.2806 -9.2806 -9.2806 -8.4857 -8.4857 -8.4666 -8.4666 -8.4666 -8.4666 -1.3817 -1.3817 -1.1462 -1.1462 -1.1462 -1.1462 5.4322 5.4322 5.5383 5.5383 5.5383 5.5383 7.1329 7.1329 8.0804 8.0804 8.0804 8.0804 8.6461 8.6461 10.9105 10.9105 10.9296 10.9296 10.9296 10.9296 17.6011 17.6011 18.2335 18.2335 18.2335 18.2335 k = 0.4915 0.5000 0.4915 ( 2066 PWs) bands (ev): -24.1669 -24.1669 -10.2915 -10.2915 -10.2914 -10.2914 -9.5179 -9.5179 -9.2806 -9.2806 -9.2805 -9.2805 -8.4857 -8.4857 -8.4668 -8.4668 -8.4662 -8.4662 -1.3836 -1.3836 -1.1490 -1.1490 -1.1472 -1.1472 5.4313 5.4313 5.5347 5.5347 5.5398 5.5398 7.1419 7.1419 8.0812 8.0812 8.0831 8.0831 8.6478 8.6478 10.9096 10.9096 10.9285 10.9285 10.9289 10.9289 17.5981 17.5981 18.2289 18.2289 18.2319 18.2319 k = 0.4831 0.5000 0.4831 ( 2082 PWs) bands (ev): -24.1671 -24.1671 -10.2912 -10.2912 -10.2910 -10.2910 -9.5167 -9.5167 -9.2803 -9.2803 -9.2799 -9.2799 -8.4856 -8.4856 -8.4669 -8.4669 -8.4647 -8.4647 -1.3888 -1.3888 -1.1568 -1.1568 -1.1500 -1.1500 5.4274 5.4274 5.5260 5.5260 5.5444 5.5444 7.1683 7.1683 8.0839 8.0839 8.0914 8.0914 8.6531 8.6531 10.9069 10.9069 10.9253 10.9253 10.9271 10.9271 17.5894 17.5894 18.2154 18.2154 18.2272 18.2272 k = 0.4746 0.5000 0.4746 ( 2082 PWs) bands (ev): -24.1674 -24.1674 -10.2909 -10.2909 -10.2903 -10.2903 -9.5146 -9.5146 -9.2799 -9.2799 -9.2790 -9.2790 -8.4857 -8.4857 -8.4668 -8.4668 -8.4620 -8.4620 -1.3976 -1.3976 -1.1698 -1.1698 -1.1542 -1.1542 5.4166 5.4166 5.5171 5.5171 5.5522 5.5522 7.2112 7.2112 8.0882 8.0882 8.1054 8.1054 8.6619 8.6619 10.9023 10.9023 10.9201 10.9201 10.9240 10.9240 17.5746 17.5746 18.1931 18.1931 18.2197 18.2197 k = 0.4661 0.5000 0.4661 ( 2090 PWs) bands (ev): -24.1679 -24.1679 -10.2903 -10.2903 -10.2893 -10.2893 -9.5118 -9.5118 -9.2793 -9.2793 -9.2777 -9.2777 -8.4866 -8.4866 -8.4661 -8.4661 -8.4583 -8.4583 -1.4104 -1.4104 -1.1880 -1.1880 -1.1598 -1.1598 5.3941 5.3941 5.5140 5.5140 5.5633 5.5633 7.2688 7.2688 8.0940 8.0940 8.1247 8.1247 8.6744 8.6744 10.8953 10.8953 10.9133 10.9133 10.9199 10.9199 17.5538 17.5538 18.1624 18.1624 18.2097 18.2097 k = 0.4576 0.5000 0.4576 ( 2090 PWs) bands (ev): -24.1685 -24.1685 -10.2897 -10.2897 -10.2881 -10.2881 -9.5082 -9.5082 -9.2785 -9.2785 -9.2761 -9.2761 -8.4884 -8.4884 -8.4643 -8.4643 -8.4533 -8.4533 -1.4274 -1.4274 -1.2111 -1.2111 -1.1662 -1.1662 5.3598 5.3598 5.5186 5.5186 5.5778 5.5778 7.3395 7.3395 8.1010 8.1010 8.1495 8.1495 8.6908 8.6908 10.8857 10.8857 10.9051 10.9051 10.9147 10.9147 17.5267 17.5267 18.1238 18.1238 18.1978 18.1978 k = 0.4492 0.5000 0.4492 ( 2090 PWs) bands (ev): -24.1692 -24.1692 -10.2889 -10.2889 -10.2867 -10.2867 -9.5039 -9.5039 -9.2775 -9.2775 -9.2741 -9.2741 -8.4914 -8.4914 -8.4615 -8.4615 -8.4471 -8.4471 -1.4489 -1.4489 -1.2392 -1.2392 -1.1730 -1.1730 5.3168 5.3168 5.5292 5.5292 5.5959 5.5959 7.4214 7.4214 8.1090 8.1090 8.1796 8.1796 8.7112 8.7112 10.8733 10.8733 10.8956 10.8956 10.9085 10.9085 17.4931 17.4931 18.0779 18.0779 18.1843 18.1843 k = 0.4407 0.5000 0.4407 ( 2090 PWs) bands (ev): -24.1700 -24.1700 -10.2879 -10.2879 -10.2850 -10.2850 -9.4988 -9.4988 -9.2764 -9.2764 -9.2718 -9.2718 -8.4955 -8.4955 -8.4576 -8.4576 -8.4396 -8.4396 -1.4752 -1.4752 -1.2722 -1.2722 -1.1800 -1.1800 5.2682 5.2682 5.5440 5.5440 5.6178 5.6178 7.5129 7.5129 8.1176 8.1176 8.2148 8.2148 8.7358 8.7358 10.8581 10.8581 10.8847 10.8847 10.9013 10.9013 17.4529 17.4529 18.0252 18.0252 18.1698 18.1698 k = 0.4322 0.5000 0.4322 ( 2090 PWs) bands (ev): -24.1709 -24.1709 -10.2869 -10.2869 -10.2831 -10.2831 -9.4931 -9.4931 -9.2751 -9.2751 -9.2692 -9.2692 -8.5006 -8.5006 -8.4527 -8.4527 -8.4308 -8.4308 -1.5064 -1.5064 -1.3098 -1.3098 -1.1869 -1.1869 5.2161 5.2161 5.5620 5.5620 5.6435 5.6435 7.6128 7.6128 8.1266 8.1266 8.2550 8.2550 8.7647 8.7647 10.8404 10.8404 10.8723 10.8723 10.8932 10.8932 17.4063 17.4063 17.9665 17.9665 18.1548 18.1548 k = 0.4237 0.5000 0.4237 ( 2090 PWs) bands (ev): -24.1720 -24.1720 -10.2857 -10.2857 -10.2810 -10.2810 -9.4867 -9.4867 -9.2736 -9.2736 -9.2663 -9.2663 -8.5064 -8.5064 -8.4468 -8.4468 -8.4207 -8.4207 -1.5425 -1.5425 -1.3519 -1.3519 -1.1934 -1.1934 5.1622 5.1622 5.5826 5.5826 5.6731 5.6731 7.7198 7.7198 8.1356 8.1356 8.3001 8.3001 8.7982 8.7982 10.8202 10.8202 10.8581 10.8581 10.8842 10.8842 17.3533 17.3533 17.9024 17.9024 18.1396 18.1396 k = 0.4153 0.5000 0.4153 ( 2090 PWs) bands (ev): -24.1732 -24.1732 -10.2844 -10.2844 -10.2787 -10.2787 -9.4798 -9.4798 -9.2720 -9.2720 -9.2632 -9.2632 -8.5130 -8.5130 -8.4400 -8.4400 -8.4091 -8.4091 -1.5835 -1.5835 -1.3985 -1.3985 -1.1996 -1.1996 5.1076 5.1076 5.6056 5.6056 5.7066 5.7066 7.8329 7.8329 8.1444 8.1444 8.3499 8.3499 8.8362 8.8362 10.7979 10.7979 10.8422 10.8422 10.8741 10.8741 17.2943 17.2943 17.8336 17.8336 18.1245 18.1245 k = 0.4068 0.5000 0.4068 ( 2088 PWs) bands (ev): -24.1745 -24.1745 -10.2830 -10.2830 -10.2763 -10.2763 -9.4722 -9.4722 -9.2702 -9.2702 -9.2598 -9.2598 -8.5203 -8.5203 -8.4322 -8.4322 -8.3962 -8.3962 -1.6292 -1.6292 -1.4492 -1.4492 -1.2053 -1.2053 5.0530 5.0530 5.6306 5.6306 5.7441 5.7441 7.9514 7.9514 8.1529 8.1529 8.4041 8.4041 8.8788 8.8788 10.7735 10.7735 10.8242 10.8242 10.8631 10.8631 17.2297 17.2297 17.7607 17.7607 18.1097 18.1097 k = 0.3983 0.5000 0.3983 ( 2088 PWs) bands (ev): -24.1758 -24.1758 -10.2816 -10.2816 -10.2737 -10.2737 -9.4642 -9.4642 -9.2683 -9.2683 -9.2563 -9.2563 -8.5282 -8.5282 -8.4233 -8.4233 -8.3819 -8.3819 -1.6795 -1.6795 -1.5040 -1.5040 -1.2107 -1.2107 4.9991 4.9991 5.6578 5.6578 5.7854 5.7854 8.0744 8.0744 8.1609 8.1609 8.4626 8.4626 8.9258 8.9258 10.7472 10.7472 10.8042 10.8042 10.8510 10.8510 17.1602 17.1602 17.6843 17.6843 18.0954 18.0954 k = 0.3898 0.5000 0.3898 ( 2082 PWs) bands (ev): -24.1773 -24.1773 -10.2800 -10.2800 -10.2710 -10.2710 -9.4557 -9.4557 -9.2662 -9.2662 -9.2525 -9.2525 -8.5367 -8.5367 -8.4133 -8.4133 -8.3661 -8.3661 -1.7341 -1.7341 -1.5626 -1.5626 -1.2156 -1.2156 4.9464 4.9464 5.6869 5.6869 5.8304 5.8304 8.1676 8.1676 8.2022 8.2022 8.5251 8.5251 8.9773 8.9773 10.7191 10.7191 10.7821 10.7821 10.8378 10.8378 17.0865 17.0865 17.6049 17.6049 18.0815 18.0815 k = 0.3814 0.5000 0.3814 ( 2086 PWs) bands (ev): -24.1789 -24.1789 -10.2784 -10.2784 -10.2682 -10.2682 -9.4469 -9.4469 -9.2640 -9.2640 -9.2486 -9.2486 -8.5457 -8.5457 -8.4021 -8.4021 -8.3488 -8.3488 -1.7927 -1.7927 -1.6249 -1.6249 -1.2203 -1.2203 4.8953 4.8953 5.7181 5.7181 5.8791 5.8791 8.1745 8.1745 8.3326 8.3326 8.5914 8.5914 9.0329 9.0329 10.6895 10.6895 10.7577 10.7577 10.8236 10.8236 17.0093 17.0093 17.5230 17.5230 18.0680 18.0680 k = 0.3729 0.5000 0.3729 ( 2086 PWs) bands (ev): -24.1806 -24.1806 -10.2767 -10.2767 -10.2653 -10.2653 -9.4377 -9.4377 -9.2617 -9.2617 -9.2446 -9.2446 -8.5551 -8.5551 -8.3897 -8.3897 -8.3301 -8.3301 -1.8552 -1.8552 -1.6907 -1.6907 -1.2248 -1.2248 4.8461 4.8461 5.7512 5.7512 5.9314 5.9314 8.1804 8.1804 8.4664 8.4664 8.6613 8.6613 9.0925 9.0925 10.6583 10.6583 10.7309 10.7309 10.8082 10.8082 16.9295 16.9295 17.4391 17.4391 18.0549 18.0549 k = 0.3644 0.5000 0.3644 ( 2090 PWs) bands (ev): -24.1824 -24.1824 -10.2750 -10.2750 -10.2624 -10.2624 -9.4283 -9.4283 -9.2592 -9.2592 -9.2405 -9.2405 -8.5650 -8.5650 -8.3759 -8.3759 -8.3098 -8.3098 -1.9213 -1.9213 -1.7596 -1.7596 -1.2290 -1.2290 4.7990 4.7990 5.7863 5.7863 5.9871 5.9871 8.1857 8.1857 8.6029 8.6029 8.7345 8.7345 9.1559 9.1559 10.6259 10.6259 10.7018 10.7018 10.7917 10.7917 16.8477 16.8477 17.3535 17.3535 18.0421 18.0421 k = 0.3559 0.5000 0.3559 ( 2090 PWs) bands (ev): -24.1842 -24.1842 -10.2732 -10.2732 -10.2595 -10.2595 -9.4188 -9.4188 -9.2567 -9.2567 -9.2363 -9.2363 -8.5753 -8.5753 -8.3607 -8.3607 -8.2879 -8.2879 -1.9908 -1.9908 -1.8317 -1.8317 -1.2330 -1.2330 4.7542 4.7542 5.8233 5.8233 6.0462 6.0462 8.1902 8.1902 8.7416 8.7416 8.8108 8.8108 9.2228 9.2228 10.5924 10.5924 10.6701 10.6701 10.7740 10.7740 16.7648 16.7648 17.2666 17.2666 18.0296 18.0296 k = 0.3475 0.5000 0.3475 ( 2090 PWs) bands (ev): -24.1862 -24.1862 -10.2714 -10.2714 -10.2566 -10.2566 -9.4091 -9.4091 -9.2540 -9.2540 -9.2321 -9.2321 -8.5858 -8.5858 -8.3440 -8.3440 -8.2644 -8.2644 -2.0635 -2.0635 -1.9066 -1.9066 -1.2370 -1.2370 4.7119 4.7119 5.8623 5.8623 6.1086 6.1086 8.1941 8.1941 8.8819 8.8819 8.8901 8.8901 9.2930 9.2930 10.5579 10.5579 10.6359 10.6359 10.7552 10.7552 16.6815 16.6815 17.1789 17.1789 18.0172 18.0172 k = 0.3390 0.5000 0.3390 ( 2078 PWs) bands (ev): -24.1882 -24.1882 -10.2696 -10.2696 -10.2537 -10.2537 -9.3994 -9.3994 -9.2513 -9.2513 -9.2280 -9.2280 -8.5966 -8.5966 -8.3257 -8.3257 -8.2393 -8.2393 -2.1391 -2.1391 -1.9842 -1.9842 -1.2407 -1.2407 4.6721 4.6721 5.9032 5.9032 6.1741 6.1741 8.1975 8.1975 8.9713 8.9713 9.0242 9.0242 9.3660 9.3660 10.5227 10.5227 10.5990 10.5990 10.7352 10.7352 16.5986 16.5986 17.0907 17.0907 18.0050 18.0050 k = 0.3305 0.5000 0.3305 ( 2078 PWs) bands (ev): -24.1903 -24.1903 -10.2677 -10.2677 -10.2509 -10.2509 -9.3897 -9.3897 -9.2485 -9.2485 -9.2238 -9.2238 -8.6076 -8.6076 -8.3058 -8.3058 -8.2125 -8.2125 -2.2175 -2.2175 -2.0643 -2.0643 -1.2444 -1.2444 4.6351 4.6351 5.9460 5.9460 6.2427 6.2427 8.2003 8.2003 9.0550 9.0550 9.1672 9.1672 9.4417 9.4417 10.4870 10.4870 10.5595 10.5595 10.7139 10.7139 16.5166 16.5166 17.0023 17.0023 17.9927 17.9927 k = 0.3220 0.5000 0.3220 ( 2086 PWs) bands (ev): -24.1924 -24.1924 -10.2659 -10.2659 -10.2481 -10.2481 -9.3801 -9.3801 -9.2457 -9.2457 -9.2197 -9.2197 -8.6188 -8.6188 -8.2841 -8.2841 -8.1840 -8.1840 -2.2985 -2.2985 -2.1468 -2.1468 -1.2480 -1.2480 4.6007 4.6007 5.9907 5.9907 6.3142 6.3142 8.2026 8.2026 9.1404 9.1404 9.3107 9.3107 9.5198 9.5198 10.4511 10.4511 10.5175 10.5175 10.6914 10.6914 16.4360 16.4360 16.9142 16.9142 17.9804 17.9804 k = 0.3136 0.5000 0.3136 ( 2086 PWs) bands (ev): -24.1946 -24.1946 -10.2641 -10.2641 -10.2455 -10.2455 -9.3706 -9.3706 -9.2429 -9.2429 -9.2157 -9.2157 -8.6301 -8.6301 -8.2606 -8.2606 -8.1538 -8.1538 -2.3819 -2.3819 -2.2313 -2.2313 -1.2516 -1.2516 4.5692 4.5692 6.0371 6.0371 6.3886 6.3886 8.2045 8.2045 9.2272 9.2272 9.4542 9.4542 9.6000 9.6000 10.4151 10.4151 10.4730 10.4730 10.6677 10.6677 16.3574 16.3574 16.8268 16.8268 17.9679 17.9679 k = 0.3051 0.5000 0.3051 ( 2084 PWs) bands (ev): -24.1968 -24.1968 -10.2623 -10.2623 -10.2429 -10.2429 -9.3613 -9.3613 -9.2400 -9.2400 -9.2118 -9.2118 -8.6413 -8.6413 -8.2352 -8.2352 -8.1219 -8.1219 -2.4674 -2.4674 -2.3178 -2.3178 -1.2550 -1.2550 4.5405 4.5405 6.0854 6.0854 6.4657 6.4657 8.2060 8.2060 9.3148 9.3148 9.5968 9.5968 9.6820 9.6820 10.3796 10.3796 10.4266 10.4266 10.6426 10.6426 16.2810 16.2810 16.7406 16.7406 17.9553 17.9553 k = 0.2966 0.5000 0.2966 ( 2084 PWs) bands (ev): -24.1991 -24.1991 -10.2605 -10.2605 -10.2404 -10.2404 -9.3523 -9.3523 -9.2372 -9.2372 -9.2081 -9.2081 -8.6526 -8.6526 -8.2078 -8.2078 -8.0882 -8.0882 -2.5550 -2.5550 -2.4061 -2.4061 -1.2585 -1.2585 4.5146 4.5146 6.1354 6.1354 6.5455 6.5455 8.2072 8.2072 9.4027 9.4027 9.7374 9.7374 9.7656 9.7656 10.3449 10.3449 10.3792 10.3792 10.6163 10.6163 16.2070 16.2070 16.6562 16.6562 17.9424 17.9424 k = 0.2881 0.5000 0.2881 ( 2088 PWs) bands (ev): -24.2014 -24.2014 -10.2587 -10.2587 -10.2381 -10.2381 -9.3436 -9.3436 -9.2345 -9.2345 -9.2045 -9.2045 -8.6637 -8.6637 -8.1785 -8.1785 -8.0528 -8.0528 -2.6444 -2.6444 -2.4961 -2.4961 -1.2618 -1.2618 4.4916 4.4916 6.1871 6.1871 6.6277 6.6277 8.2081 8.2081 9.4899 9.4899 9.8503 9.8503 9.8730 9.8730 10.3113 10.3113 10.3336 10.3336 10.5887 10.5887 16.1353 16.1353 16.5744 16.5744 17.9292 17.9292 k = 0.2797 0.5000 0.2797 ( 2092 PWs) bands (ev): -24.2038 -24.2038 -10.2570 -10.2570 -10.2359 -10.2359 -9.3352 -9.3352 -9.2318 -9.2318 -9.2012 -9.2012 -8.6747 -8.6747 -8.1472 -8.1472 -8.0157 -8.0157 -2.7356 -2.7356 -2.5876 -2.5876 -1.2651 -1.2651 4.4715 4.4715 6.2404 6.2404 6.7122 6.7122 8.2088 8.2088 9.5752 9.5752 9.9361 9.9361 9.9951 9.9951 10.2803 10.2803 10.2980 10.2980 10.5598 10.5598 16.0657 16.0657 16.4961 16.4961 17.9157 17.9157 k = 0.2712 0.5000 0.2712 ( 2092 PWs) bands (ev): -24.2061 -24.2061 -10.2553 -10.2553 -10.2339 -10.2339 -9.3272 -9.3272 -9.2292 -9.2292 -9.1980 -9.1980 -8.6854 -8.6854 -8.1137 -8.1137 -7.9768 -7.9768 -2.8283 -2.8283 -2.6804 -2.6804 -1.2684 -1.2684 4.4542 4.4542 6.2954 6.2954 6.7989 6.7989 8.2092 8.2092 9.6565 9.6565 10.0225 10.0225 10.0720 10.0720 10.2584 10.2584 10.2990 10.2990 10.5296 10.5296 15.9975 15.9975 16.4225 16.4225 17.9018 17.9018 k = 0.2627 0.5000 0.2627 ( 2088 PWs) bands (ev): -24.2085 -24.2085 -10.2536 -10.2536 -10.2320 -10.2320 -9.3195 -9.3195 -9.2267 -9.2267 -9.1951 -9.1951 -8.6959 -8.6959 -8.0782 -8.0782 -7.9360 -7.9360 -2.9223 -2.9223 -2.7743 -2.7743 -1.2715 -1.2715 4.4397 4.4397 6.3518 6.3518 6.8876 6.8876 8.2096 8.2096 9.7304 9.7304 10.0675 10.0675 10.1091 10.1091 10.2439 10.2439 10.3779 10.3779 10.4980 10.4980 15.9300 15.9300 16.3549 16.3549 17.8874 17.8874 k = 0.2542 0.5000 0.2542 ( 2084 PWs) bands (ev): -24.2109 -24.2109 -10.2521 -10.2521 -10.2304 -10.2304 -9.3123 -9.3123 -9.2243 -9.2243 -9.1924 -9.1924 -8.7060 -8.7060 -8.0405 -8.0405 -7.8935 -7.8935 -3.0177 -3.0177 -2.8694 -2.8694 -1.2746 -1.2746 4.4280 4.4280 6.4098 6.4098 6.9782 6.9782 8.2099 8.2099 9.7918 9.7918 10.0200 10.0200 10.1932 10.1932 10.2442 10.2442 10.4651 10.4651 10.4955 10.4955 15.8622 15.8622 16.2948 16.2948 17.8727 17.8727 k = 0.2458 0.5000 0.2458 ( 2084 PWs) bands (ev): -24.2133 -24.2133 -10.2505 -10.2505 -10.2288 -10.2288 -9.3055 -9.3055 -9.2220 -9.2220 -9.1900 -9.1900 -8.7157 -8.7157 -8.0008 -8.0008 -7.8493 -7.8493 -3.1142 -3.1142 -2.9653 -2.9653 -1.2777 -1.2777 4.4191 4.4191 6.4692 6.4692 7.0704 7.0704 8.2102 8.2102 9.8344 9.8344 9.9585 9.9585 10.2488 10.2488 10.2921 10.2921 10.4310 10.4310 10.6218 10.6218 15.7931 15.7931 16.2437 16.2437 17.8574 17.8574 k = 0.2373 0.5000 0.2373 ( 2088 PWs) bands (ev): -24.2157 -24.2157 -10.2490 -10.2490 -10.2275 -10.2275 -9.2992 -9.2992 -9.2199 -9.2199 -9.1878 -9.1878 -8.7250 -8.7250 -7.9589 -7.9589 -7.8033 -7.8033 -3.2117 -3.2117 -3.0621 -3.0621 -1.2806 -1.2806 4.4129 4.4129 6.5299 6.5299 7.1640 7.1640 8.2106 8.2106 9.8546 9.8546 9.8907 9.8907 10.2909 10.2909 10.3746 10.3746 10.3969 10.3969 10.7490 10.7490 15.7218 15.7218 16.2026 16.2026 17.8417 17.8417 k = 0.2288 0.5000 0.2288 ( 2088 PWs) bands (ev): -24.2181 -24.2181 -10.2476 -10.2476 -10.2263 -10.2263 -9.2934 -9.2934 -9.2178 -9.2178 -9.1860 -9.1860 -8.7338 -8.7338 -7.9149 -7.9149 -7.7556 -7.7556 -3.3100 -3.3100 -3.1596 -3.1596 -1.2835 -1.2835 4.4093 4.4093 6.5919 6.5919 7.2587 7.2587 8.2113 8.2113 9.8178 9.8178 9.8561 9.8561 10.3499 10.3499 10.3579 10.3579 10.4632 10.4632 10.8742 10.8742 15.6480 15.6480 16.1724 16.1724 17.8255 17.8255 k = 0.2203 0.5000 0.2203 ( 2088 PWs) bands (ev): -24.2205 -24.2205 -10.2463 -10.2463 -10.2253 -10.2253 -9.2881 -9.2881 -9.2160 -9.2160 -9.1844 -9.1844 -8.7420 -8.7420 -7.8689 -7.8689 -7.7062 -7.7062 -3.4091 -3.4091 -3.2576 -3.2576 -1.2864 -1.2864 4.4082 4.4082 6.6551 6.6551 7.3542 7.3542 8.2123 8.2123 9.7428 9.7428 9.8434 9.8434 10.3196 10.3196 10.4222 10.4222 10.5493 10.5493 10.9961 10.9961 15.5716 15.5716 16.1532 16.1532 17.8088 17.8088 k = 0.2119 0.5000 0.2119 ( 2096 PWs) bands (ev): -24.2228 -24.2228 -10.2450 -10.2450 -10.2245 -10.2245 -9.2832 -9.2832 -9.2143 -9.2143 -9.1830 -9.1830 -8.7497 -8.7497 -7.8208 -7.8208 -7.6550 -7.6550 -3.5089 -3.5089 -3.3561 -3.3561 -1.2891 -1.2891 4.4097 4.4097 6.7195 6.7195 7.4501 7.4501 8.2139 8.2139 9.6652 9.6652 9.8227 9.8227 10.2800 10.2800 10.5023 10.5023 10.6349 10.6349 11.1140 11.1140 15.4930 15.4930 16.1449 16.1449 17.7916 17.7916 k = 0.2034 0.5000 0.2034 ( 2082 PWs) bands (ev): -24.2251 -24.2251 -10.2437 -10.2437 -10.2238 -10.2238 -9.2789 -9.2789 -9.2127 -9.2127 -9.1820 -9.1820 -8.7567 -8.7567 -7.7706 -7.7706 -7.6021 -7.6021 -3.6091 -3.6091 -3.4550 -3.4550 -1.2918 -1.2918 4.4136 4.4136 6.7849 6.7849 7.5459 7.5459 8.2165 8.2165 9.5858 9.5858 9.7975 9.7975 10.2390 10.2390 10.5867 10.5867 10.7197 10.7197 11.2273 11.2273 15.4125 15.4125 16.1472 16.1472 17.7741 17.7741 k = 0.1949 0.5000 0.1949 ( 2084 PWs) bands (ev): -24.2274 -24.2274 -10.2426 -10.2426 -10.2233 -10.2233 -9.2751 -9.2751 -9.2112 -9.2112 -9.1811 -9.1811 -8.7631 -8.7631 -7.7184 -7.7184 -7.5476 -7.5476 -3.7098 -3.7098 -3.5541 -3.5541 -1.2943 -1.2943 4.4198 4.4198 6.8512 6.8512 7.6407 7.6407 8.2206 8.2206 9.5048 9.5048 9.7699 9.7699 10.1967 10.1967 10.6731 10.6731 10.8033 10.8033 11.3355 11.3355 15.3307 15.3307 16.1595 16.1595 17.7562 17.7562 k = 0.1864 0.5000 0.1864 ( 2084 PWs) bands (ev): -24.2296 -24.2296 -10.2415 -10.2415 -10.2229 -10.2229 -9.2719 -9.2719 -9.2098 -9.2098 -9.1805 -9.1805 -8.7689 -8.7689 -7.6643 -7.6643 -7.4915 -7.4915 -3.8108 -3.8108 -3.6534 -3.6534 -1.2968 -1.2968 4.4281 4.4281 6.9184 6.9184 7.7334 7.7334 8.2271 8.2271 9.4227 9.4227 9.7410 9.7410 10.1532 10.1532 10.7601 10.7601 10.8855 10.8855 11.4382 11.4382 15.2479 15.2479 16.1813 16.1813 17.7381 17.7381 k = 0.1780 0.5000 0.1780 ( 2084 PWs) bands (ev): -24.2318 -24.2318 -10.2405 -10.2405 -10.2227 -10.2227 -9.2692 -9.2692 -9.2086 -9.2086 -9.1800 -9.1800 -8.7741 -8.7741 -7.6083 -7.6083 -7.4338 -7.4338 -3.9119 -3.9119 -3.7527 -3.7527 -1.2992 -1.2992 4.4386 4.4386 6.9864 6.9864 7.8223 7.8223 8.2377 8.2377 9.3398 9.3398 9.7116 9.7116 10.1084 10.1084 10.8468 10.8468 10.9663 10.9663 11.5351 11.5351 15.1645 15.1645 16.2119 16.2119 17.7198 17.7198 k = 0.1695 0.5000 0.1695 ( 2084 PWs) bands (ev): -24.2339 -24.2339 -10.2395 -10.2395 -10.2226 -10.2226 -9.2671 -9.2671 -9.2075 -9.2075 -9.1797 -9.1797 -8.7786 -8.7786 -7.5504 -7.5504 -7.3745 -7.3745 -4.0132 -4.0132 -3.8520 -3.8520 -1.3015 -1.3015 4.4509 4.4509 7.0550 7.0550 7.9043 7.9043 8.2549 8.2549 9.2566 9.2566 9.6824 9.6824 10.0623 10.0623 10.9326 10.9326 11.0453 11.0453 11.6262 11.6262 15.0810 15.0810 16.2506 16.2506 17.7015 17.7015 k = 0.1610 0.5000 0.1610 ( 2084 PWs) bands (ev): -24.2360 -24.2360 -10.2386 -10.2386 -10.2226 -10.2226 -9.2655 -9.2655 -9.2064 -9.2064 -9.1795 -9.1795 -8.7825 -8.7825 -7.4907 -7.4907 -7.3136 -7.3136 -4.1145 -4.1145 -3.9511 -3.9511 -1.3037 -1.3037 4.4651 4.4651 7.1242 7.1242 7.9749 7.9749 8.2831 8.2831 9.1735 9.1735 9.6536 9.6536 10.0152 10.0152 11.0167 11.0167 11.1225 11.1225 11.7112 11.7112 14.9977 14.9977 16.2967 16.2967 17.6832 17.6832 k = 0.1525 0.5000 0.1525 ( 2084 PWs) bands (ev): -24.2379 -24.2379 -10.2378 -10.2378 -10.2226 -10.2226 -9.2644 -9.2644 -9.2055 -9.2055 -9.1794 -9.1794 -8.7859 -8.7859 -7.4292 -7.4292 -7.2513 -7.2513 -4.2157 -4.2157 -4.0500 -4.0500 -1.3058 -1.3058 4.4808 4.4808 7.1937 7.1937 8.0294 8.0294 8.3267 8.3267 9.0909 9.0909 9.6254 9.6254 9.9669 9.9669 11.0988 11.0988 11.1975 11.1975 11.7902 11.7902 14.9147 14.9147 16.3493 16.3493 17.6653 17.6653 k = 0.1441 0.5000 0.1441 ( 2076 PWs) bands (ev): -24.2399 -24.2399 -10.2371 -10.2371 -10.2228 -10.2228 -9.2638 -9.2638 -9.2046 -9.2046 -9.1793 -9.1793 -8.7887 -8.7887 -7.3660 -7.3660 -7.1875 -7.1875 -4.3167 -4.3167 -4.1485 -4.1485 -1.3077 -1.3077 4.4980 4.4980 7.2635 7.2635 8.0663 8.0663 8.3866 8.3866 9.0091 9.0091 9.5982 9.5982 9.9176 9.9176 11.1785 11.1785 11.2704 11.2704 11.8631 11.8631 14.8325 14.8325 16.4075 16.4075 17.6478 17.6478 k = 0.1356 0.5000 0.1356 ( 2076 PWs) bands (ev): -24.2417 -24.2417 -10.2364 -10.2364 -10.2230 -10.2230 -9.2636 -9.2636 -9.2039 -9.2039 -9.1792 -9.1792 -8.7910 -8.7910 -7.3011 -7.3011 -7.1224 -7.1224 -4.4174 -4.4174 -4.2466 -4.2466 -1.3096 -1.3096 4.5164 4.5164 7.3334 7.3334 8.0893 8.0893 8.4591 8.4591 8.9286 8.9286 9.5719 9.5719 9.8675 9.8675 11.2553 11.2553 11.3409 11.3409 11.9301 11.9301 14.7512 14.7512 16.4702 16.4702 17.6310 17.6310 k = 0.1271 0.5000 0.1271 ( 2076 PWs) bands (ev): -24.2434 -24.2434 -10.2358 -10.2358 -10.2233 -10.2233 -9.2639 -9.2639 -9.2032 -9.2032 -9.1792 -9.1792 -8.7928 -8.7928 -7.2347 -7.2347 -7.0559 -7.0559 -4.5178 -4.5178 -4.3441 -4.3441 -1.3114 -1.3114 4.5359 4.5359 7.4033 7.4033 8.1032 8.1032 8.5387 8.5387 8.8499 8.8499 9.5469 9.5469 9.8165 9.8165 11.3290 11.3290 11.4089 11.4089 11.9914 11.9914 14.6713 14.6713 16.5363 16.5363 17.6152 17.6152 k = 0.1186 0.5000 0.1186 ( 2080 PWs) bands (ev): -24.2451 -24.2451 -10.2353 -10.2353 -10.2236 -10.2236 -9.2645 -9.2645 -9.2026 -9.2026 -9.1791 -9.1791 -8.7942 -8.7942 -7.1669 -7.1669 -6.9882 -6.9882 -4.6177 -4.6177 -4.4409 -4.4409 -1.3130 -1.3130 4.5561 4.5561 7.4728 7.4728 8.1117 8.1117 8.6210 8.6210 8.7736 8.7736 9.5230 9.5230 9.7648 9.7648 11.3991 11.3991 11.4742 11.4742 12.0471 12.0471 14.5930 14.5930 16.6045 16.6045 17.6007 17.6007 k = 0.1102 0.5000 0.1102 ( 2076 PWs) bands (ev): -24.2467 -24.2467 -10.2349 -10.2349 -10.2239 -10.2239 -9.2654 -9.2654 -9.2022 -9.2022 -9.1789 -9.1789 -8.7953 -8.7953 -7.0976 -7.0976 -6.9193 -6.9193 -4.7170 -4.7170 -4.5369 -4.5369 -1.3146 -1.3146 4.5768 4.5768 7.5418 7.5418 8.1170 8.1170 8.6893 8.6893 8.7144 8.7144 9.5006 9.5006 9.7127 9.7127 11.4656 11.4656 11.5366 11.5366 12.0974 12.0974 14.5167 14.5167 16.6736 16.6736 17.5878 17.5878 k = 0.1017 0.5000 0.1017 ( 2084 PWs) bands (ev): -24.2482 -24.2482 -10.2346 -10.2346 -10.2242 -10.2242 -9.2666 -9.2666 -9.2018 -9.2018 -9.1787 -9.1787 -8.7960 -8.7960 -7.0272 -7.0272 -6.8494 -6.8494 -4.8156 -4.8156 -4.6319 -4.6319 -1.3160 -1.3160 4.5978 4.5978 7.6101 7.6101 8.1203 8.1203 8.6264 8.6264 8.7881 8.7881 9.4795 9.4795 9.6603 9.6603 11.5280 11.5280 11.5959 11.5959 12.1427 12.1427 14.4427 14.4427 16.7421 16.7421 17.5769 17.5769 k = 0.0932 0.5000 0.0932 ( 2076 PWs) bands (ev): -24.2495 -24.2495 -10.2343 -10.2343 -10.2245 -10.2245 -9.2679 -9.2679 -9.2015 -9.2015 -9.1785 -9.1785 -8.7965 -8.7965 -6.9555 -6.9555 -6.7784 -6.7784 -4.9134 -4.9134 -4.7257 -4.7257 -1.3174 -1.3174 4.6187 4.6187 7.6772 7.6772 8.1224 8.1224 8.5592 8.5592 8.8672 8.8672 9.4600 9.4600 9.6080 9.6080 11.5863 11.5863 11.6520 11.6520 12.1832 12.1832 14.3716 14.3716 16.8085 16.8085 17.5685 17.5685 k = 0.0847 0.5000 0.0847 ( 2076 PWs) bands (ev): -24.2508 -24.2508 -10.2341 -10.2341 -10.2248 -10.2248 -9.2693 -9.2693 -9.2012 -9.2012 -9.1783 -9.1783 -8.7967 -8.7967 -6.8830 -6.8830 -6.7067 -6.7067 -5.0101 -5.0101 -4.8180 -4.8180 -1.3186 -1.3186 4.6394 4.6394 7.7429 7.7429 8.1236 8.1236 8.4956 8.4956 8.9430 8.9430 9.4419 9.4419 9.5559 9.5559 11.6401 11.6401 11.7045 11.7045 12.2191 12.2191 14.3037 14.3037 16.8714 16.8714 17.5629 17.5629 k = 0.0763 0.5000 0.0763 ( 2072 PWs) bands (ev): -24.2519 -24.2519 -10.2340 -10.2340 -10.2251 -10.2251 -9.2708 -9.2708 -9.2011 -9.2011 -9.1780 -9.1780 -8.7968 -8.7968 -6.8098 -6.8098 -6.6344 -6.6344 -5.1058 -5.1058 -4.9087 -4.9087 -1.3197 -1.3197 4.6594 4.6594 7.8066 7.8066 8.1243 8.1243 8.4364 8.4364 9.0145 9.0145 9.4254 9.4254 9.5046 9.5046 11.6895 11.6895 11.7531 11.7531 12.2508 12.2508 14.2396 14.2396 16.9294 16.9294 17.5607 17.5607 k = 0.0678 0.5000 0.0678 ( 2072 PWs) bands (ev): -24.2530 -24.2530 -10.2339 -10.2339 -10.2252 -10.2252 -9.2722 -9.2722 -9.2010 -9.2010 -9.1777 -9.1777 -8.7967 -8.7967 -6.7364 -6.7364 -6.5617 -6.5617 -5.2000 -5.2000 -4.9971 -4.9971 -1.3206 -1.3206 4.6784 4.6784 7.8677 7.8677 8.1246 8.1246 8.3820 8.3820 9.0809 9.0809 9.4104 9.4104 9.4547 9.4547 11.7342 11.7342 11.7975 11.7975 12.2784 12.2784 14.1798 14.1798 16.9812 16.9812 17.5620 17.5620 k = 0.0593 0.5000 0.0593 ( 2076 PWs) bands (ev): -24.2539 -24.2539 -10.2340 -10.2340 -10.2254 -10.2254 -9.2736 -9.2736 -9.2009 -9.2009 -9.1774 -9.1774 -8.7966 -8.7966 -6.6631 -6.6631 -6.4890 -6.4890 -5.2927 -5.2927 -5.0829 -5.0829 -1.3215 -1.3215 4.6961 4.6961 7.9256 7.9256 8.1247 8.1247 8.3330 8.3330 9.1415 9.1415 9.3957 9.3957 9.4081 9.4081 11.7742 11.7742 11.8375 11.8375 12.3023 12.3023 14.1250 14.1250 17.0258 17.0258 17.5668 17.5668 k = 0.0508 0.5000 0.0508 ( 2076 PWs) bands (ev): -24.2547 -24.2547 -10.2340 -10.2340 -10.2255 -10.2255 -9.2750 -9.2750 -9.2009 -9.2009 -9.1772 -9.1772 -8.7964 -8.7964 -6.5907 -6.5907 -6.4167 -6.4167 -5.3832 -5.3832 -5.1652 -5.1652 -1.3223 -1.3223 4.7123 4.7123 7.9793 7.9793 8.1246 8.1246 8.2899 8.2899 9.1955 9.1955 9.3596 9.3596 9.3873 9.3873 11.8093 11.8093 11.8729 11.8729 12.3225 12.3225 14.0758 14.0758 17.0626 17.0626 17.5749 17.5749 k = 0.0424 0.5000 0.0424 ( 2076 PWs) bands (ev): -24.2554 -24.2554 -10.2341 -10.2341 -10.2256 -10.2256 -9.2761 -9.2761 -9.2008 -9.2008 -9.1769 -9.1769 -8.7962 -8.7962 -6.5204 -6.5204 -6.3454 -6.3454 -5.4710 -5.4710 -5.2428 -5.2428 -1.3229 -1.3229 4.7265 4.7265 8.0275 8.0275 8.1245 8.1245 8.2532 8.2532 9.2423 9.2423 9.3182 9.3182 9.3772 9.3772 11.8393 11.8393 11.9032 11.9032 12.3393 12.3393 14.0327 14.0327 17.0918 17.0918 17.5852 17.5852 k = 0.0339 0.5000 0.0339 ( 2084 PWs) bands (ev): -24.2559 -24.2559 -10.2341 -10.2341 -10.2257 -10.2257 -9.2771 -9.2771 -9.2008 -9.2008 -9.1767 -9.1767 -8.7960 -8.7960 -6.4539 -6.4539 -6.2762 -6.2762 -5.5550 -5.5550 -5.3140 -5.3140 -1.3234 -1.3234 4.7386 4.7386 8.0687 8.0687 8.1243 8.1243 8.2239 8.2239 9.2762 9.2762 9.2864 9.2864 9.3693 9.3693 11.8642 11.8642 11.9284 11.9284 12.3528 12.3528 13.9965 13.9965 17.1139 17.1139 17.5965 17.5965 k = 0.0254 0.5000 0.0254 ( 2090 PWs) bands (ev): -24.2564 -24.2564 -10.2342 -10.2342 -10.2257 -10.2257 -9.2780 -9.2780 -9.2008 -9.2008 -9.1766 -9.1766 -8.7958 -8.7958 -6.3940 -6.3940 -6.2107 -6.2107 -5.6334 -5.6334 -5.3763 -5.3763 -1.3239 -1.3239 4.7483 4.7483 8.1004 8.1004 8.1242 8.1242 8.2032 8.2032 9.2494 9.2494 9.3129 9.3129 9.3634 9.3634 11.8837 11.8837 11.9482 11.9482 12.3632 12.3632 13.9676 13.9676 17.1297 17.1297 17.6073 17.6073 k = 0.0169 0.5000 0.0169 ( 2088 PWs) bands (ev): -24.2567 -24.2567 -10.2343 -10.2343 -10.2257 -10.2257 -9.2785 -9.2785 -9.2008 -9.2008 -9.1764 -9.1764 -8.7956 -8.7956 -6.3448 -6.3448 -6.1519 -6.1519 -5.7025 -5.7025 -5.4260 -5.4260 -1.3242 -1.3242 4.7554 4.7554 8.1196 8.1196 8.1245 8.1245 8.1927 8.1927 9.2261 9.2261 9.3342 9.3342 9.3600 9.3600 11.8978 11.8978 11.9624 11.9624 12.3705 12.3705 13.9466 13.9466 17.1402 17.1402 17.6162 17.6162 k = 0.0085 0.5000 0.0085 ( 2088 PWs) bands (ev): -24.2569 -24.2569 -10.2343 -10.2343 -10.2257 -10.2257 -9.2789 -9.2789 -9.2009 -9.2009 -9.1764 -9.1764 -8.7955 -8.7955 -6.3118 -6.3118 -6.1070 -6.1070 -5.7542 -5.7542 -5.4587 -5.4587 -1.3243 -1.3243 4.7597 4.7597 8.1235 8.1235 8.1280 8.1280 8.1912 8.1912 9.2114 9.2114 9.3451 9.3451 9.3600 9.3600 11.9062 11.9062 11.9710 11.9710 12.3749 12.3749 13.9338 13.9338 17.1462 17.1462 17.6221 17.6221 k = 0.0000 0.5000-0.0000 ( 2088 PWs) bands (ev): -24.2570 -24.2570 -10.2343 -10.2343 -10.2257 -10.2257 -9.2790 -9.2790 -9.2009 -9.2009 -9.1763 -9.1763 -8.7955 -8.7955 -6.3000 -6.3000 -6.0890 -6.0890 -5.7747 -5.7747 -5.4701 -5.4701 -1.3244 -1.3244 4.7611 4.7611 8.1235 8.1235 8.1292 8.1292 8.1919 8.1919 9.2063 9.2063 9.3474 9.3474 9.3613 9.3613 11.9091 11.9091 11.9739 11.9739 12.3764 12.3764 13.9296 13.9296 17.1481 17.1481 17.6241 17.6241 k = 0.5000 0.5000-0.0000 ( 2096 PWs) bands (ev): -24.2119 -24.2119 -10.2271 -10.2271 -10.2226 -10.2226 -9.2152 -9.2152 -9.1866 -9.1866 -9.1647 -9.1647 -8.8721 -8.8721 -8.7765 -8.7765 -6.1615 -6.1615 -5.4461 -5.4461 -1.3629 -1.3629 -1.2061 -1.2061 3.8204 3.8204 7.9167 7.9167 7.9831 7.9831 8.0566 8.0566 8.4130 8.4130 8.7039 8.7039 8.7099 8.7099 10.9364 10.9364 11.2276 11.2276 11.8758 11.8758 15.7333 15.7333 16.4645 16.4645 16.6312 16.6312 k = 0.5000 0.5000 0.0119 ( 2096 PWs) bands (ev): -24.2119 -24.2119 -10.2271 -10.2271 -10.2227 -10.2227 -9.2157 -9.2157 -9.1869 -9.1869 -9.1652 -9.1652 -8.8711 -8.8711 -8.7759 -8.7759 -6.1810 -6.1810 -5.4246 -5.4246 -1.3628 -1.3628 -1.2060 -1.2060 3.8217 3.8217 7.9023 7.9023 7.9680 7.9680 8.0566 8.0566 8.4130 8.4130 8.7184 8.7184 8.7250 8.7250 10.9364 10.9364 11.2206 11.2206 11.8707 11.8707 15.7380 15.7380 16.4666 16.4666 16.6324 16.6324 k = 0.5000 0.5000 0.0238 ( 2088 PWs) bands (ev): -24.2117 -24.2117 -10.2274 -10.2274 -10.2230 -10.2230 -9.2170 -9.2170 -9.1877 -9.1877 -9.1667 -9.1667 -8.8680 -8.8680 -8.7741 -8.7741 -6.2339 -6.2339 -5.3657 -5.3657 -1.3625 -1.3625 -1.2057 -1.2057 3.8256 3.8256 7.8619 7.8619 7.9259 7.9259 8.0568 8.0568 8.4131 8.4131 8.7587 8.7587 8.7669 8.7669 10.9364 10.9364 11.1997 11.1997 11.8555 11.8555 15.7517 15.7517 16.4730 16.4730 16.6360 16.6360 k = 0.5000 0.5000 0.0357 ( 2088 PWs) bands (ev): -24.2114 -24.2114 -10.2277 -10.2277 -10.2235 -10.2235 -9.2192 -9.2192 -9.1891 -9.1891 -9.1690 -9.1690 -8.8631 -8.8631 -8.7713 -8.7713 -6.3085 -6.3085 -5.2812 -5.2812 -1.3621 -1.3621 -1.2053 -1.2053 3.8320 3.8320 7.8019 7.8019 7.8641 7.8641 8.0569 8.0569 8.4132 8.4132 8.8187 8.8187 8.8284 8.8284 10.9363 10.9363 11.1653 11.1653 11.8304 11.8304 15.7741 15.7741 16.4838 16.4838 16.6421 16.6421 k = 0.5000 0.5000 0.0476 ( 2088 PWs) bands (ev): -24.2109 -24.2109 -10.2282 -10.2282 -10.2241 -10.2241 -9.2225 -9.2225 -9.1910 -9.1910 -9.1719 -9.1719 -8.8565 -8.8565 -8.7673 -8.7673 -6.3955 -6.3955 -5.1803 -5.1803 -1.3615 -1.3615 -1.2048 -1.2048 3.8410 3.8410 7.7287 7.7287 7.7895 7.7895 8.0572 8.0572 8.4133 8.4133 8.8918 8.8918 8.9027 8.9027 10.9361 10.9361 11.1180 11.1180 11.7954 11.7954 15.8044 15.8044 16.4991 16.4991 16.6506 16.6506 k = 0.5000 0.5000 0.0595 ( 2088 PWs) bands (ev): -24.2104 -24.2104 -10.2289 -10.2289 -10.2250 -10.2250 -9.2269 -9.2269 -9.1934 -9.1934 -9.1751 -9.1751 -8.8483 -8.8483 -8.7623 -8.7623 -6.4890 -6.4890 -5.0691 -5.0691 -1.3607 -1.3607 -1.2040 -1.2040 3.8526 3.8526 7.6471 7.6471 7.7069 7.7069 8.0575 8.0575 8.4134 8.4134 8.9733 8.9733 8.9848 8.9848 10.9360 10.9360 11.0587 11.0587 11.7508 11.7508 15.8416 15.8416 16.5191 16.5191 16.6617 16.6617 k = 0.5000 0.5000 0.0714 ( 2088 PWs) bands (ev): -24.2097 -24.2097 -10.2297 -10.2297 -10.2260 -10.2260 -9.2325 -9.2325 -9.1961 -9.1961 -9.1783 -9.1783 -8.8387 -8.8387 -8.7564 -8.7564 -6.5854 -6.5854 -4.9510 -4.9510 -1.3597 -1.3597 -1.2032 -1.2032 3.8668 3.8668 7.5602 7.5602 7.6194 7.6194 8.0579 8.0579 8.4135 8.4135 9.0600 9.0600 9.0716 9.0716 10.9358 10.9358 10.9882 10.9882 11.6970 11.6970 15.8845 15.8845 16.5440 16.5440 16.6753 16.6753 k = 0.5000 0.5000 0.0833 ( 2088 PWs) bands (ev): -24.2089 -24.2089 -10.2306 -10.2306 -10.2272 -10.2272 -9.2392 -9.2392 -9.1993 -9.1993 -9.1815 -9.1815 -8.8281 -8.8281 -8.7495 -8.7495 -6.6829 -6.6829 -4.8280 -4.8280 -1.3586 -1.3586 -1.2022 -1.2022 3.8835 3.8835 7.4701 7.4701 7.5292 7.5292 8.0583 8.0583 8.4137 8.4137 9.1497 9.1497 9.1610 9.1610 10.9076 10.9076 10.9356 10.9356 11.6344 11.6344 15.9318 15.9318 16.5742 16.5742 16.6916 16.6916 k = 0.5000 0.5000 0.0952 ( 2076 PWs) bands (ev): -24.2080 -24.2080 -10.2316 -10.2316 -10.2286 -10.2286 -9.2470 -9.2470 -9.2027 -9.2027 -9.1844 -9.1844 -8.8165 -8.8165 -8.7419 -8.7419 -6.7802 -6.7802 -4.7013 -4.7013 -1.3573 -1.3573 -1.2010 -1.2010 3.9027 3.9027 7.3783 7.3783 7.4374 7.4374 8.0588 8.0588 8.4138 8.4138 9.2409 9.2409 9.2516 9.2516 10.8178 10.8178 10.9353 10.9353 11.5634 11.5634 15.9825 15.9825 16.6099 16.6099 16.7105 16.7105 k = 0.5000 0.5000 0.1071 ( 2076 PWs) bands (ev): -24.2070 -24.2070 -10.2328 -10.2328 -10.2301 -10.2301 -9.2556 -9.2556 -9.2063 -9.2063 -9.1872 -9.1872 -8.8042 -8.8042 -8.7335 -8.7335 -6.8765 -6.8765 -4.5719 -4.5719 -1.3559 -1.3559 -1.1997 -1.1997 3.9246 3.9246 7.2857 7.2857 7.3450 7.3450 8.0593 8.0593 8.4139 8.4139 9.3325 9.3325 9.3425 9.3425 10.7199 10.7199 10.9350 10.9350 11.4843 11.4843 16.0353 16.0353 16.6511 16.6511 16.7322 16.7322 k = 0.5000 0.5000 0.1190 ( 2072 PWs) bands (ev): -24.2059 -24.2059 -10.2342 -10.2342 -10.2318 -10.2318 -9.2649 -9.2649 -9.2101 -9.2101 -9.1898 -9.1898 -8.7912 -8.7912 -8.7244 -8.7244 -6.9713 -6.9713 -4.4404 -4.4404 -1.3543 -1.3543 -1.1983 -1.1983 3.9489 3.9489 7.1930 7.1930 7.2526 7.2526 8.0599 8.0599 8.4140 8.4140 9.4240 9.4240 9.4330 9.4330 10.6149 10.6149 10.9347 10.9347 11.3979 11.3979 16.0892 16.0892 16.6978 16.6978 16.7567 16.7567 k = 0.5000 0.5000 0.1310 ( 2072 PWs) bands (ev): -24.2047 -24.2047 -10.2356 -10.2356 -10.2336 -10.2336 -9.2748 -9.2748 -9.2141 -9.2141 -9.1924 -9.1924 -8.7778 -8.7778 -8.7149 -8.7149 -7.0642 -7.0642 -4.3073 -4.3073 -1.3526 -1.3526 -1.1967 -1.1967 3.9758 3.9758 7.1008 7.1008 7.1608 7.1608 8.0605 8.0605 8.4141 8.4141 9.5145 9.5145 9.5225 9.5225 10.5037 10.5037 10.9343 10.9343 11.3045 11.3045 16.1436 16.1436 16.7499 16.7499 16.7840 16.7840 k = 0.5000 0.5000 0.1429 ( 2080 PWs) bands (ev): -24.2035 -24.2035 -10.2372 -10.2372 -10.2356 -10.2356 -9.2852 -9.2852 -9.2181 -9.2181 -9.1949 -9.1949 -8.7640 -8.7640 -8.7048 -8.7048 -7.1550 -7.1550 -4.1730 -4.1730 -1.3508 -1.3508 -1.1951 -1.1951 4.0052 4.0052 7.0094 7.0094 7.0699 7.0699 8.0611 8.0611 8.4141 8.4141 9.6037 9.6037 9.6106 9.6106 10.3873 10.3873 10.9340 10.9340 11.2048 11.2048 16.1980 16.1980 16.8070 16.8070 16.8143 16.8143 k = 0.5000 0.5000 0.1548 ( 2080 PWs) bands (ev): -24.2021 -24.2021 -10.2388 -10.2388 -10.2377 -10.2377 -9.2958 -9.2958 -9.2221 -9.2221 -9.1974 -9.1974 -8.7500 -8.7500 -8.6943 -8.6943 -7.2434 -7.2434 -4.0376 -4.0376 -1.3488 -1.3488 -1.1934 -1.1934 4.0371 4.0371 6.9192 6.9192 6.9802 6.9802 8.0618 8.0618 8.4140 8.4140 9.6912 9.6912 9.6969 9.6969 10.2663 10.2663 10.9336 10.9336 11.0994 11.0994 16.2522 16.2522 16.8476 16.8476 16.8684 16.8684 k = 0.5000 0.5000 0.1667 ( 2080 PWs) bands (ev): -24.2007 -24.2007 -10.2406 -10.2406 -10.2398 -10.2398 -9.3066 -9.3066 -9.2261 -9.2261 -9.1999 -9.1999 -8.7358 -8.7358 -8.6835 -8.6835 -7.3291 -7.3291 -3.9017 -3.9017 -1.3467 -1.3467 -1.1915 -1.1915 4.0714 4.0714 6.8304 6.8304 6.8920 6.8920 8.0626 8.0626 8.4139 8.4139 9.7765 9.7765 9.7811 9.7811 10.1418 10.1418 10.9332 10.9332 10.9888 10.9888 16.3062 16.3062 16.8838 16.8838 16.9333 16.9333 k = 0.5000 0.5000 0.1786 ( 2080 PWs) bands (ev): -24.1992 -24.1992 -10.2425 -10.2425 -10.2421 -10.2421 -9.3175 -9.3175 -9.2301 -9.2301 -9.2025 -9.2025 -8.7215 -8.7215 -8.6725 -8.6725 -7.4122 -7.4122 -3.7654 -3.7654 -1.3444 -1.3444 -1.1896 -1.1896 4.1082 4.1082 6.7433 6.7433 6.8054 6.8054 8.0633 8.0633 8.4136 8.4136 9.8587 9.8587 9.8631 9.8631 10.0150 10.0150 10.8738 10.8738 10.9327 10.9327 16.3601 16.3601 16.9231 16.9231 17.0011 17.0011 k = 0.5000 0.5000 0.1905 ( 2076 PWs) bands (ev): -24.1977 -24.1977 -10.2445 -10.2445 -10.2445 -10.2445 -9.3284 -9.3284 -9.2340 -9.2340 -9.2053 -9.2053 -8.7072 -8.7072 -8.6612 -8.6612 -7.4923 -7.4923 -3.6290 -3.6290 -1.3421 -1.3421 -1.1875 -1.1875 4.1475 4.1475 6.6581 6.6581 6.7207 6.7207 8.0642 8.0642 8.4132 8.4132 9.8781 9.8781 9.9425 9.9425 9.9459 9.9459 10.7549 10.7549 10.9323 10.9323 16.4143 16.4143 16.9654 16.9654 17.0708 17.0708 k = 0.5000 0.5000 0.2024 ( 2076 PWs) bands (ev): -24.1961 -24.1961 -10.2469 -10.2469 -10.2466 -10.2466 -9.3394 -9.3394 -9.2378 -9.2378 -9.2081 -9.2081 -8.6930 -8.6930 -8.6499 -8.6499 -7.5696 -7.5696 -3.4929 -3.4929 -1.3396 -1.3396 -1.1855 -1.1855 4.1891 4.1891 6.5749 6.5749 6.6381 6.6381 8.0650 8.0650 8.4126 8.4126 9.7493 9.7493 10.0192 10.0192 10.0203 10.0203 10.6329 10.6329 10.9318 10.9318 16.4690 16.4690 17.0106 17.0106 17.1416 17.1416 k = 0.5000 0.5000 0.2143 ( 2076 PWs) bands (ev): -24.1945 -24.1945 -10.2494 -10.2494 -10.2487 -10.2487 -9.3503 -9.3503 -9.2414 -9.2414 -9.2110 -9.2110 -8.6788 -8.6788 -8.6384 -8.6384 -7.6437 -7.6437 -3.3573 -3.3573 -1.3371 -1.3371 -1.1833 -1.1833 4.2331 4.2331 6.4939 6.4939 6.5577 6.5577 8.0658 8.0658 8.4118 8.4118 9.6159 9.6159 10.0929 10.0929 10.0949 10.0949 10.5083 10.5083 10.9314 10.9314 16.5243 16.5243 17.0587 17.0587 17.2128 17.2128 k = 0.5000 0.5000 0.2262 ( 2076 PWs) bands (ev): -24.1928 -24.1928 -10.2520 -10.2520 -10.2510 -10.2510 -9.3611 -9.3611 -9.2449 -9.2449 -9.2141 -9.2141 -8.6649 -8.6649 -8.6270 -8.6270 -7.7148 -7.7148 -3.2225 -3.2225 -1.3345 -1.3345 -1.1812 -1.1812 4.2795 4.2795 6.4152 6.4152 6.4796 6.4796 8.0667 8.0667 8.4107 8.4107 9.4814 9.4814 10.1636 10.1636 10.1667 10.1667 10.3819 10.3819 10.9309 10.9309 16.5804 16.5804 17.1096 17.1096 17.2838 17.2838 k = 0.5000 0.5000 0.2381 ( 2084 PWs) bands (ev): -24.1912 -24.1912 -10.2545 -10.2545 -10.2532 -10.2532 -9.3718 -9.3718 -9.2483 -9.2483 -9.2173 -9.2173 -8.6512 -8.6512 -8.6157 -8.6157 -7.7827 -7.7827 -3.0889 -3.0889 -1.3318 -1.3318 -1.1790 -1.1790 4.3281 4.3281 6.3391 6.3391 6.4039 6.4039 8.0675 8.0675 8.4093 8.4093 9.3462 9.3462 10.2298 10.2298 10.2354 10.2354 10.2556 10.2556 10.9304 10.9304 16.6375 16.6375 17.1631 17.1631 17.3539 17.3539 k = 0.5000 0.5000 0.2500 ( 2092 PWs) bands (ev): -24.1895 -24.1895 -10.2571 -10.2571 -10.2556 -10.2556 -9.3823 -9.3823 -9.2514 -9.2514 -9.2206 -9.2206 -8.6378 -8.6378 -8.6045 -8.6045 -7.8474 -7.8474 -2.9567 -2.9567 -1.3289 -1.3289 -1.1768 -1.1768 4.3789 4.3789 6.2655 6.2655 6.3308 6.3308 8.0684 8.0684 8.4075 8.4075 9.2108 9.2108 10.1257 10.1257 10.2960 10.2960 10.3008 10.3008 10.9299 10.9299 16.6955 16.6955 17.2191 17.2191 17.4227 17.4227 k = 0.5000 0.5000 0.2619 ( 2092 PWs) bands (ev): -24.1878 -24.1878 -10.2597 -10.2597 -10.2580 -10.2580 -9.3926 -9.3926 -9.2544 -9.2544 -9.2240 -9.2240 -8.6246 -8.6246 -8.5934 -8.5934 -7.9088 -7.9088 -2.8264 -2.8264 -1.3260 -1.3260 -1.1745 -1.1745 4.4318 4.4318 6.1947 6.1947 6.2605 6.2605 8.0693 8.0693 8.4052 8.4052 9.0756 9.0756 9.9979 9.9979 10.3570 10.3570 10.3629 10.3629 10.9294 10.9294 16.7544 16.7544 17.2774 17.2774 17.4898 17.4898 k = 0.5000 0.5000 0.2738 ( 2084 PWs) bands (ev): -24.1861 -24.1861 -10.2622 -10.2622 -10.2604 -10.2604 -9.4028 -9.4028 -9.2573 -9.2573 -9.2276 -9.2276 -8.6118 -8.6118 -8.5825 -8.5825 -7.9668 -7.9668 -2.6982 -2.6982 -1.3230 -1.3230 -1.1723 -1.1723 4.4869 4.4869 6.1267 6.1267 6.1929 6.1929 8.0702 8.0702 8.4023 8.4023 8.9409 8.9409 9.8710 9.8710 10.4147 10.4147 10.4216 10.4216 10.9290 10.9290 16.8141 16.8141 17.3376 17.3376 17.5549 17.5549 k = 0.5000 0.5000 0.2857 ( 2084 PWs) bands (ev): -24.1845 -24.1845 -10.2648 -10.2648 -10.2628 -10.2628 -9.4127 -9.4127 -9.2599 -9.2599 -9.2313 -9.2313 -8.5995 -8.5995 -8.5719 -8.5719 -8.0215 -8.0215 -2.5726 -2.5726 -1.3199 -1.3199 -1.1701 -1.1701 4.5439 4.5439 6.0617 6.0617 6.1282 6.1282 8.0711 8.0711 8.3987 8.3987 8.8072 8.8072 9.7459 9.7459 10.4691 10.4691 10.4768 10.4768 10.9285 10.9285 16.8743 16.8743 17.3996 17.3996 17.6177 17.6177 k = 0.5000 0.5000 0.2976 ( 2088 PWs) bands (ev): -24.1829 -24.1829 -10.2673 -10.2673 -10.2652 -10.2652 -9.4224 -9.4224 -9.2624 -9.2624 -9.2350 -9.2350 -8.5876 -8.5876 -8.5617 -8.5617 -8.0729 -8.0729 -2.4500 -2.4500 -1.3166 -1.3166 -1.1679 -1.1679 4.6028 4.6028 5.9996 5.9996 6.0666 6.0666 8.0719 8.0719 8.3942 8.3942 8.6747 8.6747 9.6234 9.6234 10.5201 10.5201 10.5286 10.5286 10.9280 10.9280 16.9348 16.9348 17.4629 17.4629 17.6781 17.6781 k = 0.5000 0.5000 0.3095 ( 2088 PWs) bands (ev): -24.1813 -24.1813 -10.2697 -10.2697 -10.2676 -10.2676 -9.4318 -9.4318 -9.2647 -9.2647 -9.2389 -9.2389 -8.5762 -8.5762 -8.5517 -8.5517 -8.1209 -8.1209 -2.3308 -2.3308 -1.3132 -1.3132 -1.1658 -1.1658 4.6633 4.6633 5.9407 5.9407 6.0079 6.0079 8.0727 8.0727 8.3885 8.3885 8.5438 8.5438 9.5043 9.5043 10.5677 10.5677 10.5770 10.5770 10.9276 10.9276 16.9952 16.9952 17.5271 17.5271 17.7359 17.7359 k = 0.5000 0.5000 0.3214 ( 2088 PWs) bands (ev): -24.1797 -24.1797 -10.2721 -10.2721 -10.2700 -10.2700 -9.4409 -9.4409 -9.2668 -9.2668 -9.2427 -9.2427 -8.5652 -8.5652 -8.5422 -8.5422 -8.1656 -8.1656 -2.2157 -2.2157 -1.3095 -1.3095 -1.1637 -1.1637 4.7255 4.7255 5.8850 5.8850 5.9525 5.9525 8.0735 8.0735 8.3814 8.3814 8.4148 8.4148 9.3896 9.3896 10.6120 10.6120 10.6219 10.6219 10.9272 10.9272 17.0553 17.0553 17.5919 17.5919 17.7910 17.7910 k = 0.5000 0.5000 0.3333 ( 2096 PWs) bands (ev): -24.1782 -24.1782 -10.2743 -10.2743 -10.2723 -10.2723 -9.4497 -9.4497 -9.2687 -9.2687 -9.2466 -9.2466 -8.5549 -8.5549 -8.5331 -8.5331 -8.2071 -8.2071 -2.1051 -2.1051 -1.3056 -1.3056 -1.1617 -1.1617 4.7890 4.7890 5.8326 5.8326 5.9002 5.9002 8.0743 8.0743 8.2881 8.2881 8.3724 8.3724 9.2803 9.2803 10.6530 10.6530 10.6635 10.6635 10.9268 10.9268 17.1145 17.1145 17.6566 17.6566 17.8433 17.8433 k = 0.5000 0.5000 0.3452 ( 2088 PWs) bands (ev): -24.1768 -24.1768 -10.2765 -10.2765 -10.2746 -10.2746 -9.4582 -9.4582 -9.2705 -9.2705 -9.2504 -9.2504 -8.5451 -8.5451 -8.5244 -8.5244 -8.2452 -8.2452 -1.9995 -1.9995 -1.3013 -1.3013 -1.1598 -1.1598 4.8536 4.8536 5.7835 5.7835 5.8513 5.8513 8.0749 8.0749 8.1641 8.1641 8.3612 8.3612 9.1776 9.1776 10.6908 10.6908 10.7018 10.7018 10.9264 10.9264 17.1725 17.1725 17.7209 17.7209 17.8928 17.8928 k = 0.5000 0.5000 0.3571 ( 2096 PWs) bands (ev): -24.1754 -24.1754 -10.2786 -10.2786 -10.2768 -10.2768 -9.4662 -9.4662 -9.2721 -9.2721 -9.2542 -9.2542 -8.5359 -8.5359 -8.5163 -8.5163 -8.2801 -8.2801 -1.8998 -1.8998 -1.2964 -1.2964 -1.1580 -1.1580 4.9189 4.9189 5.7379 5.7379 5.8057 5.8057 8.0424 8.0424 8.0763 8.0763 8.3473 8.3473 9.0825 9.0825 10.7254 10.7254 10.7368 10.7368 10.9261 10.9261 17.2286 17.2286 17.7840 17.7840 17.9394 17.9394 k = 0.5000 0.5000 0.3690 ( 2088 PWs) bands (ev): -24.1741 -24.1741 -10.2806 -10.2806 -10.2789 -10.2789 -9.4739 -9.4739 -9.2735 -9.2735 -9.2578 -9.2578 -8.5274 -8.5274 -8.5087 -8.5087 -8.3118 -8.3118 -1.8065 -1.8065 -1.2908 -1.2908 -1.1562 -1.1562 4.9847 4.9847 5.6959 5.6959 5.7636 5.7636 7.9253 7.9253 8.0766 8.0766 8.3301 8.3301 8.9963 8.9963 10.7568 10.7568 10.7687 10.7687 10.9258 10.9258 17.2825 17.2825 17.8455 17.8455 17.9830 17.9830 k = 0.5000 0.5000 0.3810 ( 2092 PWs) bands (ev): -24.1730 -24.1730 -10.2824 -10.2824 -10.2809 -10.2809 -9.4810 -9.4810 -9.2748 -9.2748 -9.2614 -9.2614 -8.5196 -8.5196 -8.5016 -8.5016 -8.3405 -8.3405 -1.7206 -1.7206 -1.2840 -1.2840 -1.1546 -1.1546 5.0503 5.0503 5.6575 5.6575 5.7249 5.7249 7.8120 7.8120 8.0772 8.0772 8.3091 8.3091 8.9201 8.9201 10.7852 10.7852 10.7975 10.7975 10.9255 10.9255 17.3335 17.3335 17.9046 17.9046 18.0236 18.0236 k = 0.5000 0.5000 0.3929 ( 2092 PWs) bands (ev): -24.1718 -24.1718 -10.2841 -10.2841 -10.2828 -10.2828 -9.4877 -9.4877 -9.2760 -9.2760 -9.2647 -9.2647 -8.5124 -8.5124 -8.4952 -8.4952 -8.3660 -8.3660 -1.6432 -1.6432 -1.2756 -1.2756 -1.1531 -1.1531 5.1152 5.1152 5.6228 5.6228 5.6897 5.6897 7.7034 7.7034 8.0777 8.0777 8.2843 8.2843 8.8546 8.8546 10.8105 10.8105 10.8232 10.8232 10.9253 10.9253 17.3813 17.3813 17.9608 17.9608 18.0611 18.0611 k = 0.5000 0.5000 0.4048 ( 2092 PWs) bands (ev): -24.1708 -24.1708 -10.2856 -10.2856 -10.2845 -10.2845 -9.4938 -9.4938 -9.2770 -9.2770 -9.2678 -9.2678 -8.5060 -8.5060 -8.4893 -8.4893 -8.3886 -8.3886 -1.5752 -1.5752 -1.2650 -1.2650 -1.1518 -1.1518 5.1785 5.1785 5.5921 5.5921 5.6581 5.6581 7.6004 7.6004 8.0782 8.0782 8.2561 8.2561 8.8001 8.8001 10.8329 10.8329 10.8460 10.8460 10.9252 10.9252 17.4252 17.4252 18.0134 18.0134 18.0954 18.0954 k = 0.5000 0.5000 0.4167 ( 2092 PWs) bands (ev): -24.1699 -24.1699 -10.2869 -10.2869 -10.2861 -10.2861 -9.4993 -9.4993 -9.2779 -9.2779 -9.2707 -9.2707 -8.5004 -8.5004 -8.4841 -8.4841 -8.4082 -8.4082 -1.5181 -1.5181 -1.2514 -1.2514 -1.1505 -1.1505 5.2392 5.2392 5.5655 5.5655 5.6302 5.6302 7.5040 7.5040 8.0787 8.0787 8.2254 8.2254 8.7562 8.7562 10.8524 10.8524 10.8659 10.8659 10.9252 10.9252 17.4650 17.4650 18.0617 18.0617 18.1264 18.1264 k = 0.5000 0.5000 0.4286 ( 2092 PWs) bands (ev): -24.1691 -24.1691 -10.2881 -10.2881 -10.2875 -10.2875 -9.5042 -9.5042 -9.2786 -9.2786 -9.2732 -9.2732 -8.4956 -8.4956 -8.4796 -8.4796 -8.4250 -8.4250 -1.4726 -1.4726 -1.2345 -1.2345 -1.1495 -1.1495 5.2957 5.2957 5.5436 5.5436 5.6059 5.6059 7.4152 7.4152 8.0791 8.0791 8.1938 8.1938 8.7218 8.7218 10.8690 10.8690 10.8830 10.8830 10.9253 10.9253 17.5002 17.5002 18.1051 18.1051 18.1538 18.1538 k = 0.5000 0.5000 0.4405 ( 2092 PWs) bands (ev): -24.1685 -24.1685 -10.2892 -10.2892 -10.2887 -10.2887 -9.5084 -9.5084 -9.2792 -9.2792 -9.2754 -9.2754 -8.4917 -8.4917 -8.4757 -8.4757 -8.4389 -8.4389 -1.4386 -1.4386 -1.2148 -1.2148 -1.1485 -1.1485 5.3458 5.3458 5.5271 5.5271 5.5853 5.5853 7.3355 7.3355 8.0795 8.0795 8.1633 8.1633 8.6956 8.6956 10.8828 10.8828 10.8973 10.8973 10.9256 10.9256 17.5305 17.5305 18.1430 18.1430 18.1775 18.1775 k = 0.5000 0.5000 0.4524 ( 2076 PWs) bands (ev): -24.1679 -24.1679 -10.2900 -10.2900 -10.2897 -10.2897 -9.5119 -9.5119 -9.2797 -9.2797 -9.2773 -9.2773 -8.4886 -8.4886 -8.4724 -8.4724 -8.4498 -8.4498 -1.4147 -1.4147 -1.1941 -1.1941 -1.1477 -1.1477 5.3865 5.3865 5.5177 5.5177 5.5684 5.5684 7.2664 7.2664 8.0798 8.0798 8.1356 8.1356 8.6762 8.6762 10.8936 10.8936 10.9090 10.9090 10.9262 10.9262 17.5557 17.5557 18.1749 18.1749 18.1973 18.1973 k = 0.5000 0.5000 0.4643 ( 2076 PWs) bands (ev): -24.1674 -24.1674 -10.2907 -10.2907 -10.2905 -10.2905 -9.5147 -9.5147 -9.2801 -9.2801 -9.2787 -9.2787 -8.4867 -8.4867 -8.4699 -8.4699 -8.4579 -8.4579 -1.3989 -1.3989 -1.1749 -1.1749 -1.1471 -1.1471 5.4138 5.4138 5.5175 5.5175 5.5552 5.5552 7.2100 7.2100 8.0800 8.0800 8.1123 8.1123 8.6623 8.6623 10.9016 10.9016 10.9180 10.9180 10.9271 10.9271 17.5754 17.5754 18.2002 18.2002 18.2129 18.2129 k = 0.5000 0.5000 0.4762 ( 2076 PWs) bands (ev): -24.1671 -24.1671 -10.2912 -10.2912 -10.2911 -10.2911 -9.5167 -9.5167 -9.2804 -9.2804 -9.2798 -9.2798 -8.4859 -8.4859 -8.4681 -8.4681 -8.4632 -8.4632 -1.3890 -1.3890 -1.1596 -1.1596 -1.1467 -1.1467 5.4269 5.4269 5.5254 5.5254 5.5458 5.5458 7.1678 7.1678 8.0802 8.0802 8.0948 8.0948 8.6531 8.6531 10.9068 10.9068 10.9244 10.9244 10.9282 10.9282 17.5896 17.5896 18.2186 18.2186 18.2243 18.2243 k = 0.5000 0.5000 0.4881 ( 2072 PWs) bands (ev): -24.1669 -24.1669 -10.2914 -10.2914 -10.2914 -10.2914 -9.5179 -9.5179 -9.2806 -9.2806 -9.2804 -9.2804 -8.4857 -8.4857 -8.4670 -8.4670 -8.4659 -8.4659 -1.3836 -1.3836 -1.1498 -1.1498 -1.1464 -1.1464 5.4313 5.4313 5.5345 5.5345 5.5401 5.5401 7.1418 7.1418 8.0803 8.0803 8.0840 8.0840 8.6478 8.6478 10.9096 10.9096 10.9283 10.9283 10.9291 10.9291 17.5982 17.5982 18.2297 18.2297 18.2311 18.2311 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -24.1668 -24.1668 -10.2915 -10.2915 -10.2915 -10.2915 -9.5182 -9.5182 -9.2806 -9.2806 -9.2806 -9.2806 -8.4857 -8.4857 -8.4666 -8.4666 -8.4666 -8.4666 -1.3817 -1.3817 -1.1462 -1.1462 -1.1462 -1.1462 5.4322 5.4322 5.5383 5.5383 5.5383 5.5383 7.1329 7.1329 8.0804 8.0804 8.0804 8.0804 8.6461 8.6461 10.9105 10.9105 10.9296 10.9296 10.9296 10.9296 17.6011 17.6011 18.2335 18.2335 18.2335 18.2335 Writing output data file CaSnO3.save init_run : 0.37s CPU 0.75s WALL ( 1 calls) electrons : 85.50s CPU 88.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 85.48s CPU 88.58s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 322 calls) cegterg : 78.18s CPU 79.68s WALL ( 380 calls) Called by sum_band: Called by *egterg: h_psi : 30.76s CPU 32.12s WALL ( 5978 calls) s_psi : 2.80s CPU 2.72s WALL ( 5978 calls) g_psi : 0.11s CPU 0.12s WALL ( 5276 calls) cdiaghg : 39.86s CPU 40.55s WALL ( 5598 calls) cegterg:over : 3.14s CPU 3.43s WALL ( 5276 calls) cegterg:upda : 2.44s CPU 2.17s WALL ( 5276 calls) cegterg:last : 1.50s CPU 1.42s WALL ( 1093 calls) cdiaghg:chol : 2.10s CPU 2.16s WALL ( 5598 calls) cdiaghg:inve : 1.60s CPU 1.53s WALL ( 5598 calls) cdiaghg:para : 2.30s CPU 2.39s WALL ( 11196 calls) Called by h_psi: h_psi:vloc : 24.87s CPU 25.87s WALL ( 5978 calls) h_psi:vnl : 5.79s CPU 6.15s WALL ( 5978 calls) add_vuspsi : 2.74s CPU 3.17s WALL ( 5978 calls) General routines calbec : 3.03s CPU 2.97s WALL ( 5978 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.59s CPU 23.54s WALL ( 729648 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.12s WALL ( 644 calls) Parallel routines fft_scatter : 13.76s CPU 14.57s WALL ( 729671 calls) PWSCF : 1m37.73s CPU 2m 9.35s WALL This run was terminated on: 16:29:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=