Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:27:45 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 39 23 7 1113 497 83 Max 40 24 8 1116 518 87 Sum 1425 845 253 40099 18277 3071 bravais-lattice index = 14 lattice parameter (alat) = 7.4077 a.u. unit-cell volume = 406.4945 (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)= 7.407726 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= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 Dense grid: 40099 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18277 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 132, 50) NL pseudopotentials 0.11 Mb ( 66, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1116) G-vector shells 0.00 Mb ( 274) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 132, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) Check: negative/imaginary core charge= -0.000003 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 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.1 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.1 secs Computing kpt #: 18 total cpu time spent up to now is 12.7 secs Computing kpt #: 19 total cpu time spent up to now is 13.2 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 14.2 secs Computing kpt #: 22 total cpu time spent up to now is 14.7 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.8 secs Computing kpt #: 25 total cpu time spent up to now is 16.2 secs Computing kpt #: 26 total cpu time spent up to now is 16.7 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.7 secs Computing kpt #: 29 total cpu time spent up to now is 18.2 secs Computing kpt #: 30 total cpu time spent up to now is 18.7 secs Computing kpt #: 31 total cpu time spent up to now is 19.2 secs Computing kpt #: 32 total cpu time spent up to now is 19.8 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.8 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.2 secs Computing kpt #: 40 total cpu time spent up to now is 23.7 secs Computing kpt #: 41 total cpu time spent up to now is 24.2 secs Computing kpt #: 42 total cpu time spent up to now is 24.7 secs Computing kpt #: 43 total cpu time spent up to now is 25.1 secs Computing kpt #: 44 total cpu time spent up to now is 25.6 secs Computing kpt #: 45 total cpu time spent up to now is 26.1 secs Computing kpt #: 46 total cpu time spent up to now is 26.6 secs Computing kpt #: 47 total cpu time spent up to now is 27.1 secs Computing kpt #: 48 total cpu time spent up to now is 27.6 secs Computing kpt #: 49 total cpu time spent up to now is 28.1 secs Computing kpt #: 50 total cpu time spent up to now is 28.6 secs Computing kpt #: 51 total cpu time spent up to now is 29.1 secs Computing kpt #: 52 total cpu time spent up to now is 29.6 secs Computing kpt #: 53 total cpu time spent up to now is 30.1 secs Computing kpt #: 54 total cpu time spent up to now is 30.6 secs Computing kpt #: 55 total cpu time spent up to now is 31.1 secs Computing kpt #: 56 total cpu time spent up to now is 31.6 secs Computing kpt #: 57 total cpu time spent up to now is 32.2 secs Computing kpt #: 58 total cpu time spent up to now is 32.7 secs Computing kpt #: 59 total cpu time spent up to now is 33.2 secs Computing kpt #: 60 total cpu time spent up to now is 33.7 secs Computing kpt #: 61 total cpu time spent up to now is 34.2 secs Computing kpt #: 62 total cpu time spent up to now is 34.7 secs Computing kpt #: 63 total cpu time spent up to now is 35.3 secs Computing kpt #: 64 total cpu time spent up to now is 35.9 secs Computing kpt #: 65 total cpu time spent up to now is 36.4 secs Computing kpt #: 66 total cpu time spent up to now is 36.9 secs Computing kpt #: 67 total cpu time spent up to now is 37.4 secs Computing kpt #: 68 total cpu time spent up to now is 37.9 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 39.0 secs Computing kpt #: 71 total cpu time spent up to now is 39.5 secs Computing kpt #: 72 total cpu time spent up to now is 40.1 secs Computing kpt #: 73 total cpu time spent up to now is 40.6 secs Computing kpt #: 74 total cpu time spent up to now is 41.2 secs Computing kpt #: 75 total cpu time spent up to now is 41.7 secs Computing kpt #: 76 total cpu time spent up to now is 42.3 secs Computing kpt #: 77 total cpu time spent up to now is 42.9 secs Computing kpt #: 78 total cpu time spent up to now is 43.4 secs Computing kpt #: 79 total cpu time spent up to now is 43.9 secs Computing kpt #: 80 total cpu time spent up to now is 44.5 secs Computing kpt #: 81 total cpu time spent up to now is 45.0 secs Computing kpt #: 82 total cpu time spent up to now is 45.5 secs Computing kpt #: 83 total cpu time spent up to now is 46.1 secs Computing kpt #: 84 total cpu time spent up to now is 46.5 secs Computing kpt #: 85 total cpu time spent up to now is 47.0 secs Computing kpt #: 86 total cpu time spent up to now is 47.6 secs Computing kpt #: 87 total cpu time spent up to now is 48.1 secs Computing kpt #: 88 total cpu time spent up to now is 48.6 secs Computing kpt #: 89 total cpu time spent up to now is 49.2 secs Computing kpt #: 90 total cpu time spent up to now is 49.7 secs Computing kpt #: 91 total cpu time spent up to now is 50.3 secs Computing kpt #: 92 total cpu time spent up to now is 50.9 secs Computing kpt #: 93 total cpu time spent up to now is 51.5 secs Computing kpt #: 94 total cpu time spent up to now is 52.0 secs Computing kpt #: 95 total cpu time spent up to now is 52.6 secs Computing kpt #: 96 total cpu time spent up to now is 53.2 secs Computing kpt #: 97 total cpu time spent up to now is 53.7 secs Computing kpt #: 98 total cpu time spent up to now is 54.2 secs Computing kpt #: 99 total cpu time spent up to now is 54.8 secs Computing kpt #: 100 total cpu time spent up to now is 55.3 secs Computing kpt #: 101 total cpu time spent up to now is 55.9 secs Computing kpt #: 102 total cpu time spent up to now is 56.4 secs Computing kpt #: 103 total cpu time spent up to now is 56.9 secs Computing kpt #: 104 total cpu time spent up to now is 57.4 secs Computing kpt #: 105 total cpu time spent up to now is 58.0 secs Computing kpt #: 106 total cpu time spent up to now is 58.6 secs Computing kpt #: 107 total cpu time spent up to now is 59.1 secs Computing kpt #: 108 total cpu time spent up to now is 59.7 secs Computing kpt #: 109 total cpu time spent up to now is 60.2 secs Computing kpt #: 110 total cpu time spent up to now is 60.8 secs Computing kpt #: 111 total cpu time spent up to now is 61.3 secs Computing kpt #: 112 total cpu time spent up to now is 61.9 secs Computing kpt #: 113 total cpu time spent up to now is 62.4 secs Computing kpt #: 114 total cpu time spent up to now is 63.0 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.1 secs Computing kpt #: 116 total cpu time spent up to now is 64.7 secs Computing kpt #: 117 total cpu time spent up to now is 65.3 secs Computing kpt #: 118 total cpu time spent up to now is 65.8 secs Computing kpt #: 119 total cpu time spent up to now is 66.4 secs Computing kpt #: 120 total cpu time spent up to now is 67.0 secs Computing kpt #: 121 total cpu time spent up to now is 67.6 secs Computing kpt #: 122 total cpu time spent up to now is 68.2 secs Computing kpt #: 123 total cpu time spent up to now is 68.7 secs Computing kpt #: 124 total cpu time spent up to now is 69.2 secs Computing kpt #: 125 total cpu time spent up to now is 69.7 secs Computing kpt #: 126 total cpu time spent up to now is 70.2 secs Computing kpt #: 127 total cpu time spent up to now is 70.7 secs Computing kpt #: 128 total cpu time spent up to now is 71.2 secs Computing kpt #: 129 total cpu time spent up to now is 71.7 secs Computing kpt #: 130 total cpu time spent up to now is 72.2 secs Computing kpt #: 131 total cpu time spent up to now is 72.7 secs Computing kpt #: 132 total cpu time spent up to now is 73.2 secs Computing kpt #: 133 total cpu time spent up to now is 73.7 secs Computing kpt #: 134 total cpu time spent up to now is 74.3 secs Computing kpt #: 135 total cpu time spent up to now is 74.7 secs Computing kpt #: 136 total cpu time spent up to now is 75.2 secs Computing kpt #: 137 total cpu time spent up to now is 75.7 secs Computing kpt #: 138 total cpu time spent up to now is 76.1 secs Computing kpt #: 139 total cpu time spent up to now is 76.4 secs Computing kpt #: 140 total cpu time spent up to now is 76.7 secs Computing kpt #: 141 total cpu time spent up to now is 77.0 secs Computing kpt #: 142 total cpu time spent up to now is 77.4 secs Computing kpt #: 143 total cpu time spent up to now is 77.7 secs Computing kpt #: 144 total cpu time spent up to now is 78.1 secs Computing kpt #: 145 total cpu time spent up to now is 78.4 secs Computing kpt #: 146 total cpu time spent up to now is 78.7 secs Computing kpt #: 147 total cpu time spent up to now is 79.0 secs Computing kpt #: 148 total cpu time spent up to now is 79.5 secs Computing kpt #: 149 total cpu time spent up to now is 79.9 secs Computing kpt #: 150 total cpu time spent up to now is 80.4 secs Computing kpt #: 151 total cpu time spent up to now is 80.9 secs Computing kpt #: 152 total cpu time spent up to now is 81.4 secs Computing kpt #: 153 total cpu time spent up to now is 81.9 secs Computing kpt #: 154 total cpu time spent up to now is 82.4 secs Computing kpt #: 155 total cpu time spent up to now is 82.9 secs Computing kpt #: 156 total cpu time spent up to now is 83.4 secs Computing kpt #: 157 total cpu time spent up to now is 83.9 secs Computing kpt #: 158 total cpu time spent up to now is 84.4 secs Computing kpt #: 159 total cpu time spent up to now is 84.9 secs Computing kpt #: 160 total cpu time spent up to now is 85.4 secs Computing kpt #: 161 total cpu time spent up to now is 85.8 secs Computing kpt #: 162 total cpu time spent up to now is 86.2 secs Computing kpt #: 163 total cpu time spent up to now is 86.8 secs Computing kpt #: 164 total cpu time spent up to now is 87.4 secs Computing kpt #: 165 total cpu time spent up to now is 87.9 secs Computing kpt #: 166 total cpu time spent up to now is 88.3 secs Computing kpt #: 167 total cpu time spent up to now is 88.8 secs Computing kpt #: 168 total cpu time spent up to now is 89.2 secs Computing kpt #: 169 total cpu time spent up to now is 89.8 secs Computing kpt #: 170 total cpu time spent up to now is 90.2 secs Computing kpt #: 171 total cpu time spent up to now is 90.7 secs Computing kpt #: 172 total cpu time spent up to now is 91.3 secs Computing kpt #: 173 total cpu time spent up to now is 92.0 secs Computing kpt #: 174 total cpu time spent up to now is 92.6 secs Computing kpt #: 175 total cpu time spent up to now is 93.1 secs Computing kpt #: 176 total cpu time spent up to now is 93.6 secs Computing kpt #: 177 total cpu time spent up to now is 94.1 secs Computing kpt #: 178 total cpu time spent up to now is 94.7 secs Computing kpt #: 179 total cpu time spent up to now is 95.2 secs Computing kpt #: 180 total cpu time spent up to now is 95.8 secs Computing kpt #: 181 total cpu time spent up to now is 96.3 secs Computing kpt #: 182 total cpu time spent up to now is 96.9 secs Computing kpt #: 183 total cpu time spent up to now is 97.4 secs Computing kpt #: 184 total cpu time spent up to now is 98.0 secs Computing kpt #: 185 total cpu time spent up to now is 98.6 secs Computing kpt #: 186 total cpu time spent up to now is 99.2 secs Computing kpt #: 187 total cpu time spent up to now is 99.8 secs Computing kpt #: 188 total cpu time spent up to now is 100.3 secs Computing kpt #: 189 total cpu time spent up to now is 100.9 secs Computing kpt #: 190 total cpu time spent up to now is 101.5 secs Computing kpt #: 191 total cpu time spent up to now is 102.1 secs Computing kpt #: 192 total cpu time spent up to now is 102.7 secs Computing kpt #: 193 total cpu time spent up to now is 103.3 secs Computing kpt #: 194 total cpu time spent up to now is 103.9 secs Computing kpt #: 195 total cpu time spent up to now is 104.5 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.7 secs Computing kpt #: 198 total cpu time spent up to now is 107.4 secs Computing kpt #: 199 total cpu time spent up to now is 108.0 secs Computing kpt #: 200 total cpu time spent up to now is 108.4 secs Computing kpt #: 201 total cpu time spent up to now is 109.1 secs Computing kpt #: 202 total cpu time spent up to now is 109.5 secs Computing kpt #: 203 total cpu time spent up to now is 109.9 secs Computing kpt #: 204 total cpu time spent up to now is 110.3 secs Computing kpt #: 205 total cpu time spent up to now is 110.7 secs Computing kpt #: 206 total cpu time spent up to now is 111.1 secs Computing kpt #: 207 total cpu time spent up to now is 111.5 secs Computing kpt #: 208 total cpu time spent up to now is 111.9 secs Computing kpt #: 209 total cpu time spent up to now is 112.2 secs Computing kpt #: 210 total cpu time spent up to now is 112.6 secs Computing kpt #: 211 total cpu time spent up to now is 113.0 secs Computing kpt #: 212 total cpu time spent up to now is 113.4 secs Computing kpt #: 213 total cpu time spent up to now is 113.7 secs Computing kpt #: 214 total cpu time spent up to now is 114.1 secs Computing kpt #: 215 total cpu time spent up to now is 114.5 secs Computing kpt #: 216 total cpu time spent up to now is 115.0 secs Computing kpt #: 217 total cpu time spent up to now is 115.4 secs Computing kpt #: 218 total cpu time spent up to now is 115.8 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.9 secs Computing kpt #: 220 total cpu time spent up to now is 117.3 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.4 secs Computing kpt #: 222 total cpu time spent up to now is 119.0 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.1 secs Computing kpt #: 224 total cpu time spent up to now is 120.9 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.0 secs Computing kpt #: 226 total cpu time spent up to now is 122.7 secs Computing kpt #: 227 total cpu time spent up to now is 123.6 secs Computing kpt #: 228 total cpu time spent up to now is 124.6 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.6 secs Computing kpt #: 230 total cpu time spent up to now is 126.4 secs Computing kpt #: 231 total cpu time spent up to now is 127.3 secs Computing kpt #: 232 total cpu time spent up to now is 128.1 secs Computing kpt #: 233 total cpu time spent up to now is 128.8 secs Computing kpt #: 234 total cpu time spent up to now is 129.4 secs Computing kpt #: 235 total cpu time spent up to now is 130.1 secs Computing kpt #: 236 total cpu time spent up to now is 130.8 secs Computing kpt #: 237 total cpu time spent up to now is 131.4 secs Computing kpt #: 238 total cpu time spent up to now is 132.0 secs Computing kpt #: 239 total cpu time spent up to now is 132.6 secs Computing kpt #: 240 total cpu time spent up to now is 133.2 secs Computing kpt #: 241 total cpu time spent up to now is 133.7 secs Computing kpt #: 242 total cpu time spent up to now is 134.3 secs Computing kpt #: 243 total cpu time spent up to now is 134.8 secs Computing kpt #: 244 total cpu time spent up to now is 135.3 secs Computing kpt #: 245 total cpu time spent up to now is 135.8 secs Computing kpt #: 246 total cpu time spent up to now is 136.3 secs Computing kpt #: 247 total cpu time spent up to now is 136.8 secs Computing kpt #: 248 total cpu time spent up to now is 137.4 secs Computing kpt #: 249 total cpu time spent up to now is 137.9 secs Computing kpt #: 250 total cpu time spent up to now is 138.4 secs Computing kpt #: 251 total cpu time spent up to now is 138.9 secs Computing kpt #: 252 total cpu time spent up to now is 139.5 secs Computing kpt #: 253 total cpu time spent up to now is 140.0 secs Computing kpt #: 254 total cpu time spent up to now is 140.5 secs Computing kpt #: 255 total cpu time spent up to now is 141.0 secs Computing kpt #: 256 total cpu time spent up to now is 141.5 secs Computing kpt #: 257 total cpu time spent up to now is 142.0 secs Computing kpt #: 258 total cpu time spent up to now is 142.5 secs Computing kpt #: 259 total cpu time spent up to now is 143.0 secs Computing kpt #: 260 total cpu time spent up to now is 143.6 secs Computing kpt #: 261 total cpu time spent up to now is 144.1 secs Computing kpt #: 262 total cpu time spent up to now is 144.6 secs Computing kpt #: 263 total cpu time spent up to now is 145.1 secs Computing kpt #: 264 total cpu time spent up to now is 145.6 secs Computing kpt #: 265 total cpu time spent up to now is 146.1 secs Computing kpt #: 266 total cpu time spent up to now is 146.6 secs Computing kpt #: 267 total cpu time spent up to now is 147.1 secs Computing kpt #: 268 total cpu time spent up to now is 147.6 secs Computing kpt #: 269 total cpu time spent up to now is 148.1 secs Computing kpt #: 270 total cpu time spent up to now is 148.6 secs Computing kpt #: 271 total cpu time spent up to now is 149.0 secs Computing kpt #: 272 total cpu time spent up to now is 149.5 secs Computing kpt #: 273 total cpu time spent up to now is 150.0 secs Computing kpt #: 274 total cpu time spent up to now is 150.6 secs Computing kpt #: 275 total cpu time spent up to now is 151.1 secs Computing kpt #: 276 total cpu time spent up to now is 151.6 secs Computing kpt #: 277 total cpu time spent up to now is 152.0 secs Computing kpt #: 278 total cpu time spent up to now is 152.5 secs Computing kpt #: 279 total cpu time spent up to now is 153.0 secs Computing kpt #: 280 total cpu time spent up to now is 153.5 secs Computing kpt #: 281 total cpu time spent up to now is 153.8 secs Computing kpt #: 282 total cpu time spent up to now is 154.1 secs Computing kpt #: 283 total cpu time spent up to now is 154.6 secs Computing kpt #: 284 total cpu time spent up to now is 154.9 secs Computing kpt #: 285 total cpu time spent up to now is 155.2 secs Computing kpt #: 286 total cpu time spent up to now is 155.5 secs Computing kpt #: 287 total cpu time spent up to now is 155.8 secs Computing kpt #: 288 total cpu time spent up to now is 156.1 secs Computing kpt #: 289 total cpu time spent up to now is 156.5 secs Computing kpt #: 290 total cpu time spent up to now is 156.8 secs Computing kpt #: 291 total cpu time spent up to now is 157.2 secs Computing kpt #: 292 total cpu time spent up to now is 157.6 secs Computing kpt #: 293 total cpu time spent up to now is 157.9 secs Computing kpt #: 294 total cpu time spent up to now is 158.4 secs Computing kpt #: 295 total cpu time spent up to now is 158.8 secs Computing kpt #: 296 total cpu time spent up to now is 159.4 secs Computing kpt #: 297 total cpu time spent up to now is 159.8 secs Computing kpt #: 298 total cpu time spent up to now is 160.2 secs Computing kpt #: 299 total cpu time spent up to now is 160.6 secs Computing kpt #: 300 total cpu time spent up to now is 160.9 secs Computing kpt #: 301 total cpu time spent up to now is 161.4 secs Computing kpt #: 302 total cpu time spent up to now is 161.8 secs Computing kpt #: 303 total cpu time spent up to now is 162.2 secs Computing kpt #: 304 total cpu time spent up to now is 162.6 secs Computing kpt #: 305 total cpu time spent up to now is 163.1 secs Computing kpt #: 306 total cpu time spent up to now is 163.5 secs Computing kpt #: 307 total cpu time spent up to now is 163.9 secs Computing kpt #: 308 total cpu time spent up to now is 164.3 secs Computing kpt #: 309 total cpu time spent up to now is 164.7 secs Computing kpt #: 310 total cpu time spent up to now is 165.0 secs Computing kpt #: 311 total cpu time spent up to now is 165.5 secs Computing kpt #: 312 total cpu time spent up to now is 165.9 secs Computing kpt #: 313 total cpu time spent up to now is 166.3 secs ethr = 2.38E-08, avg # of iterations = 39.6 total cpu time spent up to now is 166.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -29.3050 -29.3050 -10.8421 -10.8421 -10.8421 -10.8421 -10.5176 -10.5176 -10.1376 -10.1376 -10.1376 -10.1376 -9.3673 -9.3673 -9.3673 -9.3673 -8.8652 -8.8652 -8.7203 -8.7203 -4.2272 -4.2272 -4.2272 -4.2272 4.4198 4.4198 4.6999 4.6999 4.6999 4.6999 8.8823 8.8823 8.8823 8.8823 8.8983 8.8983 9.0209 9.0209 9.0772 9.0772 9.0772 9.0772 12.9279 12.9279 14.7369 14.7369 14.7369 14.7369 15.6741 15.6741 k = 0.0000 0.0122-0.0000 ( 2301 PWs) bands (ev): -29.3050 -29.3050 -10.8421 -10.8421 -10.8416 -10.8416 -10.5178 -10.5178 -10.1379 -10.1379 -10.1376 -10.1376 -9.3673 -9.3673 -9.3672 -9.3672 -8.8652 -8.8652 -8.7192 -8.7192 -4.2301 -4.2301 -4.2271 -4.2271 4.4207 4.4207 4.7003 4.7003 4.7010 4.7010 8.8813 8.8813 8.8818 8.8818 8.8975 8.8975 9.0195 9.0195 9.0747 9.0747 9.0769 9.0769 12.9334 12.9334 14.7385 14.7385 14.7391 14.7391 15.6771 15.6771 k = 0.0000 0.0244-0.0000 ( 2305 PWs) bands (ev): -29.3050 -29.3050 -10.8421 -10.8421 -10.8402 -10.8402 -10.5181 -10.5181 -10.1386 -10.1386 -10.1376 -10.1376 -9.3673 -9.3673 -9.3671 -9.3671 -8.8653 -8.8653 -8.7160 -8.7160 -4.2388 -4.2388 -4.2270 -4.2270 4.4232 4.4232 4.7015 4.7015 4.7042 4.7042 8.8781 8.8781 8.8801 8.8801 8.8952 8.8952 9.0147 9.0147 9.0676 9.0676 9.0758 9.0758 12.9499 12.9499 14.7433 14.7433 14.7455 14.7455 15.6860 15.6860 k = 0.0000 0.0366-0.0000 ( 2305 PWs) bands (ev): -29.3049 -29.3049 -10.8420 -10.8420 -10.8380 -10.8380 -10.5186 -10.5186 -10.1398 -10.1398 -10.1376 -10.1376 -9.3673 -9.3673 -9.3668 -9.3668 -8.8654 -8.8654 -8.7107 -8.7107 -4.2532 -4.2532 -4.2268 -4.2268 4.4275 4.4275 4.7034 4.7034 4.7095 4.7095 8.8725 8.8725 8.8773 8.8773 8.8917 8.8917 9.0048 9.0048 9.0578 9.0578 9.0740 9.0740 12.9773 12.9773 14.7513 14.7513 14.7563 14.7563 15.7010 15.7010 k = 0.0000 0.0488-0.0000 ( 2309 PWs) bands (ev): -29.3049 -29.3049 -10.8420 -10.8420 -10.8348 -10.8348 -10.5193 -10.5193 -10.1414 -10.1414 -10.1377 -10.1377 -9.3673 -9.3673 -9.3664 -9.3664 -8.8655 -8.8655 -8.7033 -8.7033 -4.2733 -4.2733 -4.2265 -4.2265 4.4333 4.4333 4.7062 4.7062 4.7171 4.7171 8.8644 8.8644 8.8735 8.8735 8.8872 8.8872 8.9874 8.9874 9.0480 9.0480 9.0715 9.0715 13.0151 13.0151 14.7626 14.7626 14.7711 14.7711 15.7218 15.7218 k = 0.0000 0.0610-0.0000 ( 2301 PWs) bands (ev): -29.3048 -29.3048 -10.8419 -10.8419 -10.8309 -10.8309 -10.5201 -10.5201 -10.1433 -10.1433 -10.1377 -10.1377 -9.3674 -9.3674 -9.3659 -9.3659 -8.8657 -8.8657 -8.6938 -8.6938 -4.2990 -4.2990 -4.2261 -4.2261 4.4405 4.4405 4.7096 4.7096 4.7269 4.7269 8.8538 8.8538 8.8686 8.8686 8.8819 8.8819 8.9615 8.9615 9.0399 9.0399 9.0684 9.0684 13.0630 13.0630 14.7770 14.7770 14.7901 14.7901 15.7485 15.7485 k = 0.0000 0.0732-0.0000 ( 2293 PWs) bands (ev): -29.3047 -29.3047 -10.8418 -10.8418 -10.8261 -10.8261 -10.5211 -10.5211 -10.1456 -10.1456 -10.1377 -10.1377 -9.3674 -9.3674 -9.3653 -9.3653 -8.8659 -8.8659 -8.6822 -8.6822 -4.3301 -4.3301 -4.2256 -4.2256 4.4490 4.4490 4.7138 4.7138 4.7389 4.7389 8.8407 8.8407 8.8627 8.8627 8.8757 8.8757 8.9277 8.9277 9.0330 9.0330 9.0646 9.0646 13.1205 13.1205 14.7945 14.7945 14.8129 14.8129 15.7809 15.7809 k = 0.0000 0.0854-0.0000 ( 2297 PWs) bands (ev): -29.3046 -29.3046 -10.8417 -10.8417 -10.8207 -10.8207 -10.5223 -10.5223 -10.1482 -10.1482 -10.1377 -10.1377 -9.3674 -9.3674 -9.3646 -9.3646 -8.8662 -8.8662 -8.6686 -8.6686 -4.3665 -4.3665 -4.2251 -4.2251 4.4587 4.4587 4.7188 4.7188 4.7532 4.7532 8.8253 8.8253 8.8559 8.8559 8.8687 8.8687 8.8873 8.8873 9.0266 9.0266 9.0601 9.0601 13.1871 13.1871 14.8148 14.8148 14.8396 14.8396 15.8191 15.8191 k = 0.0000 0.0976-0.0000 ( 2285 PWs) bands (ev): -29.3045 -29.3045 -10.8416 -10.8416 -10.8148 -10.8148 -10.5235 -10.5235 -10.1508 -10.1508 -10.1376 -10.1376 -9.3674 -9.3674 -9.3637 -9.3637 -8.8665 -8.8665 -8.6530 -8.6530 -4.4079 -4.4079 -4.2245 -4.2245 4.4693 4.4693 4.7244 4.7244 4.7698 4.7698 8.8077 8.8077 8.8414 8.8414 8.8481 8.8481 8.8610 8.8610 9.0204 9.0204 9.0550 9.0550 13.2623 13.2623 14.8383 14.8383 14.8698 14.8698 15.8629 15.8629 k = 0.0000 0.1098-0.0000 ( 2285 PWs) bands (ev): -29.3044 -29.3044 -10.8415 -10.8415 -10.8083 -10.8083 -10.5247 -10.5247 -10.1536 -10.1536 -10.1376 -10.1376 -9.3675 -9.3675 -9.3628 -9.3628 -8.8668 -8.8668 -8.6355 -8.6355 -4.4543 -4.4543 -4.2238 -4.2238 4.4807 4.4807 4.7307 4.7307 4.7888 4.7888 8.7882 8.7882 8.7908 8.7908 8.8395 8.8395 8.8525 8.8525 9.0139 9.0139 9.0493 9.0493 13.3454 13.3454 14.8646 14.8646 14.9034 14.9034 15.9122 15.9122 k = 0.0000 0.1220-0.0000 ( 2281 PWs) bands (ev): -29.3042 -29.3042 -10.8413 -10.8413 -10.8015 -10.8015 -10.5259 -10.5259 -10.1564 -10.1564 -10.1377 -10.1377 -9.3675 -9.3675 -9.3617 -9.3617 -8.8672 -8.8672 -8.6161 -8.6161 -4.5053 -4.5053 -4.2231 -4.2231 4.4928 4.4928 4.7376 4.7376 4.8100 4.8100 8.7362 8.7362 8.7670 8.7670 8.8301 8.8301 8.8433 8.8433 9.0070 9.0070 9.0430 9.0430 13.4358 13.4358 14.8937 14.8937 14.9400 14.9400 15.9669 15.9669 k = 0.0000 0.1341-0.0000 ( 2281 PWs) bands (ev): -29.3041 -29.3041 -10.8412 -10.8412 -10.7944 -10.7944 -10.5271 -10.5271 -10.1591 -10.1591 -10.1377 -10.1377 -9.3675 -9.3675 -9.3605 -9.3605 -8.8676 -8.8676 -8.5948 -8.5948 -4.5608 -4.5608 -4.2223 -4.2223 4.5054 4.5054 4.7451 4.7451 4.8335 4.8335 8.6781 8.6781 8.7442 8.7442 8.8199 8.8199 8.8335 8.8335 8.9998 8.9998 9.0361 9.0361 13.5330 13.5330 14.9254 14.9254 14.9795 14.9795 16.0144 16.0269 k = 0.0000 0.1463-0.0000 ( 2281 PWs) bands (ev): -29.3039 -29.3039 -10.8410 -10.8410 -10.7873 -10.7873 -10.5281 -10.5281 -10.1616 -10.1616 -10.1377 -10.1377 -9.3676 -9.3676 -9.3592 -9.3592 -8.8680 -8.8680 -8.5717 -8.5717 -4.6205 -4.6205 -4.2214 -4.2214 4.5183 4.5183 4.7531 4.7531 4.8592 4.8592 8.6171 8.6171 8.7200 8.7200 8.8091 8.8091 8.8231 8.8231 8.9922 8.9922 9.0288 9.0288 13.6365 13.6365 14.9595 14.9595 15.0215 15.0215 16.0187 16.0187 k = 0.0000 0.1585-0.0000 ( 2281 PWs) bands (ev): -29.3037 -29.3037 -10.8408 -10.8408 -10.7803 -10.7803 -10.5288 -10.5288 -10.1639 -10.1639 -10.1377 -10.1377 -9.3676 -9.3676 -9.3577 -9.3577 -8.8684 -8.8684 -8.5467 -8.5467 -4.6841 -4.6841 -4.2205 -4.2205 4.5315 4.5315 4.7617 4.7617 4.8870 4.8870 8.5538 8.5538 8.6946 8.6946 8.7977 8.7977 8.8122 8.8122 8.9842 8.9842 9.0209 9.0209 13.7456 13.7456 14.9961 14.9961 15.0659 15.0659 16.0232 16.0232 k = 0.0000 0.1707-0.0000 ( 2288 PWs) bands (ev): -29.3036 -29.3036 -10.8406 -10.8406 -10.7736 -10.7736 -10.5292 -10.5292 -10.1658 -10.1658 -10.1377 -10.1377 -9.3676 -9.3676 -9.3561 -9.3561 -8.8689 -8.8689 -8.5200 -8.5200 -4.7514 -4.7514 -4.2195 -4.2195 4.5449 4.5449 4.7707 4.7707 4.9168 4.9168 8.4884 8.4884 8.6683 8.6683 8.7858 8.7858 8.8008 8.8008 8.9758 8.9758 9.0126 9.0126 13.8599 13.8599 15.0350 15.0350 15.1123 15.1123 16.0279 16.0279 k = 0.0000 0.1829-0.0000 ( 2288 PWs) bands (ev): -29.3034 -29.3034 -10.8405 -10.8405 -10.7674 -10.7674 -10.5291 -10.5291 -10.1673 -10.1673 -10.1377 -10.1377 -9.3677 -9.3677 -9.3544 -9.3544 -8.8693 -8.8693 -8.4914 -8.4914 -4.8222 -4.8222 -4.2185 -4.2185 4.5584 4.5584 4.7801 4.7801 4.9485 4.9485 8.4215 8.4215 8.6411 8.6411 8.7735 8.7735 8.7891 8.7891 8.9670 8.9670 9.0039 9.0039 13.9789 13.9789 15.0759 15.0759 15.1604 15.1604 16.0329 16.0329 k = 0.0000 0.1951-0.0000 ( 2288 PWs) bands (ev): -29.3032 -29.3032 -10.8403 -10.8403 -10.7617 -10.7617 -10.5285 -10.5285 -10.1682 -10.1682 -10.1378 -10.1378 -9.3677 -9.3677 -9.3526 -9.3526 -8.8698 -8.8698 -8.4611 -8.4611 -4.8961 -4.8961 -4.2175 -4.2175 4.5720 4.5720 4.7899 4.7899 4.9818 4.9818 8.3533 8.3533 8.6133 8.6133 8.7609 8.7609 8.7771 8.7771 8.9580 8.9580 8.9948 8.9948 14.1020 14.1020 15.1188 15.1188 15.2099 15.2099 16.0380 16.0380 k = 0.0000 0.2073-0.0000 ( 2288 PWs) bands (ev): -29.3030 -29.3030 -10.8401 -10.8401 -10.7569 -10.7569 -10.5273 -10.5273 -10.1687 -10.1687 -10.1378 -10.1378 -9.3678 -9.3678 -9.3506 -9.3506 -8.8703 -8.8703 -8.4291 -8.4291 -4.9729 -4.9729 -4.2164 -4.2164 4.5855 4.5855 4.8000 4.8000 5.0167 5.0167 8.2843 8.2843 8.5851 8.5851 8.7481 8.7481 8.7649 8.7649 8.9486 8.9486 8.9853 8.9853 14.2287 14.2287 15.1634 15.1634 15.2606 15.2606 16.0433 16.0433 k = 0.0000 0.2195-0.0000 ( 2284 PWs) bands (ev): -29.3028 -29.3028 -10.8399 -10.8399 -10.7529 -10.7529 -10.5255 -10.5255 -10.1685 -10.1685 -10.1378 -10.1378 -9.3678 -9.3678 -9.3485 -9.3485 -8.8708 -8.8708 -8.3952 -8.3952 -5.0523 -5.0523 -4.2153 -4.2153 4.5991 4.5991 4.8103 4.8103 5.0530 5.0530 8.2147 8.2147 8.5566 8.5566 8.7351 8.7351 8.7527 8.7527 8.9390 8.9390 8.9756 8.9756 14.3587 14.3587 15.2095 15.2095 15.3121 15.3121 16.0488 16.0488 k = 0.0000 0.2317-0.0000 ( 2284 PWs) bands (ev): -29.3026 -29.3026 -10.8396 -10.8396 -10.7500 -10.7500 -10.5230 -10.5230 -10.1677 -10.1677 -10.1378 -10.1378 -9.3679 -9.3679 -9.3463 -9.3463 -8.8713 -8.8713 -8.3596 -8.3596 -5.1340 -5.1340 -4.2142 -4.2142 4.6125 4.6125 4.8208 4.8208 5.0905 5.0905 8.1448 8.1448 8.5281 8.5281 8.7220 8.7220 8.7404 8.7404 8.9292 8.9292 8.9657 8.9657 14.4913 14.4913 15.2568 15.2568 15.3641 15.3641 16.0543 16.0543 k = 0.0000 0.2439-0.0000 ( 2284 PWs) bands (ev): -29.3023 -29.3023 -10.8394 -10.8394 -10.7480 -10.7480 -10.5199 -10.5199 -10.1662 -10.1662 -10.1379 -10.1379 -9.3679 -9.3679 -9.3440 -9.3440 -8.8719 -8.8719 -8.3222 -8.3222 -5.2179 -5.2179 -4.2131 -4.2131 4.6258 4.6258 4.8315 4.8315 5.1291 5.1291 8.0749 8.0749 8.4997 8.4997 8.7090 8.7090 8.7281 8.7281 8.9193 8.9193 8.9555 8.9555 14.6261 14.6261 15.3052 15.3052 15.4163 15.4163 16.0599 16.0599 k = 0.0000 0.2561-0.0000 ( 2284 PWs) bands (ev): -29.3021 -29.3021 -10.8392 -10.8392 -10.7470 -10.7470 -10.5162 -10.5162 -10.1640 -10.1640 -10.1379 -10.1379 -9.3680 -9.3680 -9.3416 -9.3416 -8.8724 -8.8724 -8.2830 -8.2830 -5.3036 -5.3036 -4.2119 -4.2119 4.6389 4.6389 4.8422 4.8422 5.1685 5.1685 8.0052 8.0052 8.4715 8.4715 8.6960 8.6960 8.7160 8.7160 8.9092 8.9092 8.9452 8.9452 14.7627 14.7627 15.3544 15.3544 15.4684 15.4684 16.0655 16.0655 k = 0.0000 0.2683-0.0000 ( 2284 PWs) bands (ev): -29.3019 -29.3019 -10.8390 -10.8390 -10.7470 -10.7470 -10.5122 -10.5122 -10.1612 -10.1612 -10.1379 -10.1379 -9.3680 -9.3680 -9.3390 -9.3390 -8.8729 -8.8729 -8.2420 -8.2420 -5.3910 -5.3910 -4.2108 -4.2108 4.6518 4.6518 4.8530 4.8530 5.2087 5.2087 7.9358 7.9358 8.4438 8.4438 8.6832 8.6832 8.7041 8.7041 8.8991 8.8991 8.9349 8.9349 14.9005 14.9005 15.4041 15.4041 15.5202 15.5202 16.0712 16.0712 k = 0.0000 0.2805-0.0000 ( 2292 PWs) bands (ev): -29.3017 -29.3017 -10.8388 -10.8388 -10.7479 -10.7479 -10.5078 -10.5078 -10.1578 -10.1578 -10.1380 -10.1380 -9.3681 -9.3681 -9.3364 -9.3364 -8.8734 -8.8734 -8.1991 -8.1991 -5.4797 -5.4797 -4.2097 -4.2097 4.6645 4.6645 4.8637 4.8637 5.2495 5.2495 7.8672 7.8672 8.4166 8.4166 8.6707 8.6707 8.6924 8.6924 8.8890 8.8890 8.9245 8.9245 15.0390 15.0390 15.4540 15.4540 15.5712 15.5712 16.0768 16.0768 k = 0.0000 0.2927-0.0000 ( 2292 PWs) bands (ev): -29.3015 -29.3015 -10.8386 -10.8386 -10.7495 -10.7495 -10.5032 -10.5032 -10.1537 -10.1537 -10.1380 -10.1380 -9.3681 -9.3681 -9.3337 -9.3337 -8.8739 -8.8739 -8.1543 -8.1543 -5.5695 -5.5695 -4.2086 -4.2086 4.6768 4.6768 4.8742 4.8742 5.2907 5.2907 7.7994 7.7994 8.3901 8.3901 8.6584 8.6584 8.6811 8.6811 8.8790 8.8790 8.9141 8.9141 15.1777 15.1777 15.5039 15.5039 15.6214 15.6214 16.0823 16.0823 k = 0.0000 0.3049-0.0000 ( 2300 PWs) bands (ev): -29.3013 -29.3013 -10.8384 -10.8384 -10.7517 -10.7517 -10.4986 -10.4986 -10.1492 -10.1492 -10.1381 -10.1381 -9.3682 -9.3682 -9.3310 -9.3310 -8.8744 -8.8744 -8.1075 -8.1075 -5.6602 -5.6602 -4.2075 -4.2075 4.6888 4.6888 4.8846 4.8846 5.3321 5.3321 7.7326 7.7326 8.3644 8.3644 8.6466 8.6466 8.6702 8.6702 8.8691 8.8691 8.9038 8.9038 15.3160 15.3160 15.5536 15.5536 15.6702 15.6702 16.0877 16.0877 k = 0.0000 0.3171-0.0000 ( 2284 PWs) bands (ev): -29.3011 -29.3011 -10.8382 -10.8382 -10.7544 -10.7544 -10.4940 -10.4940 -10.1441 -10.1441 -10.1380 -10.1380 -9.3682 -9.3682 -9.3282 -9.3282 -8.8749 -8.8749 -8.0589 -8.0589 -5.7516 -5.7516 -4.2064 -4.2064 4.7004 4.7004 4.8948 4.8948 5.3737 5.3737 7.6672 7.6672 8.3397 8.3397 8.6352 8.6352 8.6598 8.6598 8.8594 8.8594 8.8937 8.8937 15.4529 15.4529 15.6031 15.6031 15.7178 15.7178 16.0932 16.0932 k = 0.0000 0.3293-0.0000 ( 2284 PWs) bands (ev): -29.3009 -29.3009 -10.8380 -10.8380 -10.7575 -10.7575 -10.4895 -10.4895 -10.1387 -10.1387 -10.1380 -10.1380 -9.3682 -9.3682 -9.3254 -9.3254 -8.8753 -8.8753 -8.0082 -8.0082 -5.8434 -5.8434 -4.2054 -4.2054 4.7116 4.7116 4.9046 4.9046 5.4150 5.4150 7.6032 7.6032 8.3160 8.3160 8.6243 8.6243 8.6499 8.6499 8.8499 8.8499 8.8839 8.8839 15.5860 15.5860 15.6538 15.6538 15.7634 15.7634 16.0983 16.0983 k = 0.0000 0.3415-0.0000 ( 2288 PWs) bands (ev): -29.3007 -29.3007 -10.8378 -10.8378 -10.7608 -10.7608 -10.4853 -10.4853 -10.1381 -10.1381 -10.1330 -10.1330 -9.3683 -9.3683 -9.3226 -9.3226 -8.8758 -8.8758 -7.9555 -7.9555 -5.9356 -5.9356 -4.2044 -4.2044 4.7222 4.7222 4.9140 4.9140 5.4561 5.4561 7.5410 7.5410 8.2936 8.2936 8.6140 8.6140 8.6405 8.6405 8.8408 8.8408 8.8743 8.8743 15.6858 15.6858 15.7344 15.7344 15.8071 15.8071 16.1032 16.1032 k = 0.0000 0.3537-0.0000 ( 2292 PWs) bands (ev): -29.3006 -29.3006 -10.8377 -10.8377 -10.7642 -10.7642 -10.4814 -10.4814 -10.1381 -10.1381 -10.1272 -10.1272 -9.3683 -9.3683 -9.3199 -9.3199 -8.8762 -8.8762 -7.9008 -7.9008 -6.0277 -6.0277 -4.2035 -4.2035 4.7323 4.7323 4.9231 4.9231 5.4966 5.4966 7.4808 7.4808 8.2724 8.2724 8.6042 8.6042 8.6317 8.6317 8.8320 8.8320 8.8650 8.8650 15.7359 15.7359 15.8485 15.8485 15.8601 15.8601 16.1080 16.1080 k = 0.0000 0.3659-0.0000 ( 2292 PWs) bands (ev): -29.3004 -29.3004 -10.8375 -10.8375 -10.7677 -10.7677 -10.4778 -10.4778 -10.1382 -10.1382 -10.1213 -10.1213 -9.3684 -9.3684 -9.3172 -9.3172 -8.8766 -8.8766 -7.8440 -7.8440 -6.1198 -6.1198 -4.2026 -4.2026 4.7418 4.7418 4.9316 4.9316 5.5362 5.5362 7.4229 7.4229 8.2526 8.2526 8.5952 8.5952 8.6235 8.6235 8.8236 8.8236 8.8562 8.8562 15.7793 15.7793 15.8875 15.8875 15.9868 15.9868 16.1125 16.1125 k = 0.0000 0.3780-0.0000 ( 2292 PWs) bands (ev): -29.3002 -29.3002 -10.8373 -10.8373 -10.7711 -10.7711 -10.4745 -10.4745 -10.1382 -10.1382 -10.1155 -10.1155 -9.3684 -9.3684 -9.3146 -9.3146 -8.8770 -8.8770 -7.7851 -7.7851 -6.2115 -6.2115 -4.2018 -4.2018 4.7507 4.7507 4.9396 4.9396 5.5748 5.5748 7.3676 7.3676 8.2342 8.2342 8.5868 8.5868 8.6160 8.6160 8.8157 8.8157 8.8479 8.8479 15.8197 15.8197 15.9238 15.9238 16.1098 16.1098 16.1167 16.1167 k = 0.0000 0.3902-0.0000 ( 2284 PWs) bands (ev): -29.3001 -29.3001 -10.8372 -10.8372 -10.7744 -10.7744 -10.4715 -10.4715 -10.1382 -10.1382 -10.1099 -10.1099 -9.3684 -9.3684 -9.3121 -9.3121 -8.8773 -8.8773 -7.7241 -7.7241 -6.3028 -6.3028 -4.2010 -4.2010 4.7589 4.7589 4.9470 4.9470 5.6120 5.6120 7.3152 7.3152 8.2173 8.2173 8.5791 8.5791 8.6092 8.6092 8.8084 8.8084 8.8401 8.8401 15.8572 15.8572 15.9573 15.9573 16.1207 16.1207 16.2276 16.2276 k = 0.0000 0.4024-0.0000 ( 2276 PWs) bands (ev): -29.3000 -29.3000 -10.8371 -10.8371 -10.7776 -10.7776 -10.4689 -10.4689 -10.1382 -10.1382 -10.1046 -10.1046 -9.3684 -9.3684 -9.3098 -9.3098 -8.8776 -8.8776 -7.6611 -7.6611 -6.3934 -6.3934 -4.2003 -4.2003 4.7663 4.7663 4.9538 4.9538 5.6473 5.6473 7.2662 7.2662 8.2021 8.2021 8.5722 8.5722 8.6031 8.6031 8.8017 8.8017 8.8330 8.8330 15.8916 15.8916 15.9877 15.9877 16.1244 16.1244 16.3390 16.3390 k = 0.0000 0.4146-0.0000 ( 2280 PWs) bands (ev): -29.2998 -29.2998 -10.8370 -10.8370 -10.7805 -10.7805 -10.4667 -10.4667 -10.1382 -10.1382 -10.0997 -10.0997 -9.3685 -9.3685 -9.3077 -9.3077 -8.8779 -8.8779 -7.5960 -7.5960 -6.4832 -6.4832 -4.1997 -4.1997 4.7729 4.7729 4.9599 4.9599 5.6803 5.6803 7.2210 7.2210 8.1885 8.1885 8.5660 8.5660 8.5976 8.5976 8.7956 8.7956 8.8265 8.8265 15.9225 15.9225 16.0149 16.0149 16.1277 16.1277 16.4427 16.4427 k = 0.0000 0.4268-0.0000 ( 2280 PWs) bands (ev): -29.2997 -29.2997 -10.8369 -10.8369 -10.7831 -10.7831 -10.4647 -10.4647 -10.1382 -10.1382 -10.0952 -10.0952 -9.3685 -9.3685 -9.3058 -9.3058 -8.8781 -8.8781 -7.5289 -7.5289 -6.5720 -6.5720 -4.1992 -4.1992 4.7788 4.7788 4.9652 4.9652 5.7107 5.7107 7.1802 7.1802 8.1766 8.1766 8.5606 8.5606 8.5929 8.5929 8.7902 8.7902 8.8208 8.8208 15.9499 15.9499 16.0387 16.0387 16.1306 16.1306 16.5373 16.5373 k = 0.0000 0.4390-0.0000 ( 2280 PWs) bands (ev): -29.2997 -29.2997 -10.8368 -10.8368 -10.7854 -10.7854 -10.4631 -10.4631 -10.1382 -10.1382 -10.0913 -10.0913 -9.3685 -9.3685 -9.3041 -9.3041 -8.8783 -8.8783 -7.4598 -7.4598 -6.6596 -6.6596 -4.1987 -4.1987 4.7838 4.7838 4.9698 4.9698 5.7377 5.7377 7.1442 7.1442 8.1665 8.1665 8.5560 8.5560 8.5889 8.5889 8.7856 8.7856 8.8158 8.8158 15.9736 15.9736 16.0591 16.0591 16.1332 16.1332 16.6212 16.6212 k = 0.0000 0.4512-0.0000 ( 2280 PWs) bands (ev): -29.2996 -29.2996 -10.8367 -10.8367 -10.7873 -10.7873 -10.4618 -10.4618 -10.1382 -10.1382 -10.0880 -10.0880 -9.3685 -9.3685 -9.3027 -9.3027 -8.8785 -8.8785 -7.3889 -7.3889 -6.7458 -6.7458 -4.1983 -4.1983 4.7879 4.7879 4.9736 4.9736 5.7609 5.7609 7.1136 7.1136 8.1581 8.1581 8.5523 8.5523 8.5856 8.5856 8.7818 8.7818 8.8117 8.8117 15.9932 15.9932 16.0758 16.0758 16.1354 16.1354 16.6929 16.6929 k = 0.0000 0.4634-0.0000 ( 2264 PWs) bands (ev): -29.2995 -29.2995 -10.8366 -10.8366 -10.7887 -10.7887 -10.4608 -10.4608 -10.1382 -10.1382 -10.0854 -10.0854 -9.3685 -9.3685 -9.3016 -9.3016 -8.8786 -8.8786 -7.3163 -7.3163 -6.8304 -6.8304 -4.1980 -4.1980 4.7912 4.7912 4.9766 4.9766 5.7798 5.7798 7.0891 7.0891 8.1516 8.1516 8.5493 8.5493 8.5831 8.5831 8.7788 8.7788 8.8085 8.8085 16.0087 16.0087 16.0889 16.0889 16.1372 16.1372 16.7508 16.7508 k = 0.0000 0.4756-0.0000 ( 2272 PWs) bands (ev): -29.2995 -29.2995 -10.8366 -10.8366 -10.7898 -10.7898 -10.4601 -10.4601 -10.1382 -10.1382 -10.0835 -10.0835 -9.3685 -9.3685 -9.3008 -9.3008 -8.8787 -8.8787 -7.2426 -7.2426 -6.9128 -6.9128 -4.1978 -4.1978 4.7935 4.7935 4.9787 4.9787 5.7936 5.7936 7.0711 7.0711 8.1469 8.1469 8.5472 8.5472 8.5813 8.5813 8.7766 8.7766 8.8061 8.8061 16.0197 16.0197 16.0982 16.0982 16.1386 16.1386 16.7934 16.7934 k = 0.0000 0.4878-0.0000 ( 2272 PWs) bands (ev): -29.2995 -29.2995 -10.8366 -10.8366 -10.7905 -10.7905 -10.4597 -10.4597 -10.1382 -10.1382 -10.0824 -10.0824 -9.3685 -9.3685 -9.3003 -9.3003 -8.8788 -8.8788 -7.1700 -7.1700 -6.9905 -6.9905 -4.1977 -4.1977 4.7949 4.7949 4.9800 4.9800 5.8021 5.8021 7.0602 7.0602 8.1441 8.1441 8.5460 8.5460 8.5802 8.5802 8.7753 8.7753 8.8047 8.8047 16.0264 16.0264 16.1037 16.1037 16.1395 16.1395 16.8195 16.8195 k = 0.0000 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2995 -29.2995 -10.8366 -10.8366 -10.7907 -10.7907 -10.4596 -10.4596 -10.1382 -10.1382 -10.0820 -10.0820 -9.3685 -9.3685 -9.3001 -9.3001 -8.8788 -8.8788 -7.1219 -7.1219 -7.0404 -7.0404 -4.1976 -4.1976 4.7954 4.7954 4.9805 4.9805 5.8050 5.8050 7.0565 7.0565 8.1432 8.1432 8.5455 8.5455 8.5798 8.5798 8.7748 8.7748 8.8042 8.8042 16.0286 16.0286 16.1055 16.1055 16.1398 16.1398 16.8283 16.8283 k = 0.0000 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2995 -29.2995 -10.8366 -10.8366 -10.7907 -10.7907 -10.4596 -10.4596 -10.1382 -10.1382 -10.0820 -10.0820 -9.3685 -9.3685 -9.3001 -9.3001 -8.8788 -8.8788 -7.1219 -7.1219 -7.0404 -7.0404 -4.1976 -4.1976 4.7954 4.7954 4.9805 4.9805 5.8050 5.8050 7.0565 7.0565 8.1432 8.1432 8.5455 8.5455 8.5798 8.5798 8.7748 8.7748 8.8042 8.8042 16.0286 16.0286 16.1055 16.1055 16.1398 16.1398 16.8283 16.8283 k = 0.0122 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2994 -29.2994 -10.8362 -10.8362 -10.7904 -10.7904 -10.4595 -10.4595 -10.1383 -10.1383 -10.0821 -10.0821 -9.3685 -9.3685 -9.3001 -9.3001 -8.8789 -8.8789 -7.1218 -7.1218 -7.0401 -7.0401 -4.1998 -4.1998 4.7908 4.7908 4.9747 4.9747 5.8179 5.8179 7.0558 7.0558 8.1382 8.1382 8.5483 8.5483 8.5830 8.5830 8.7747 8.7747 8.8041 8.8041 16.0300 16.0300 16.1061 16.1061 16.1410 16.1410 16.8285 16.8285 k = 0.0244 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2994 -29.2994 -10.8349 -10.8349 -10.7893 -10.7893 -10.4595 -10.4595 -10.1386 -10.1386 -10.0823 -10.0823 -9.3685 -9.3685 -9.3000 -9.3000 -8.8790 -8.8790 -7.1217 -7.1217 -7.0393 -7.0393 -4.2065 -4.2065 4.7756 4.7756 4.9606 4.9606 5.8549 5.8549 7.0537 7.0537 8.1242 8.1242 8.5528 8.5528 8.5954 8.5954 8.7740 8.7740 8.8036 8.8036 16.0341 16.0341 16.1080 16.1080 16.1449 16.1449 16.8292 16.8292 k = 0.0366 0.5000-0.0000 ( 2274 PWs) bands (ev): -29.2994 -29.2994 -10.8329 -10.8329 -10.7874 -10.7874 -10.4594 -10.4594 -10.1390 -10.1390 -10.0827 -10.0827 -9.3685 -9.3685 -9.2998 -9.2998 -8.8793 -8.8793 -7.1214 -7.1214 -7.0379 -7.0379 -4.2177 -4.2177 4.7472 4.7472 4.9453 4.9453 5.9114 5.9114 7.0501 7.0501 8.1035 8.1035 8.5541 8.5541 8.6197 8.6197 8.7726 8.7726 8.8032 8.8032 16.0408 16.0408 16.1110 16.1110 16.1512 16.1512 16.8300 16.8300 k = 0.0488 0.5000-0.0000 ( 2284 PWs) bands (ev): -29.2993 -29.2993 -10.8302 -10.8302 -10.7848 -10.7848 -10.4593 -10.4593 -10.1397 -10.1397 -10.0833 -10.0833 -9.3685 -9.3685 -9.2995 -9.2995 -8.8797 -8.8797 -7.1210 -7.1210 -7.0360 -7.0360 -4.2332 -4.2332 4.7045 4.7045 4.9344 4.9344 5.9826 5.9826 7.0450 7.0450 8.0784 8.0784 8.5526 8.5526 8.6533 8.6533 8.7702 8.7702 8.8033 8.8033 16.0500 16.0500 16.1154 16.1154 16.1600 16.1600 16.8302 16.8302 k = 0.0610 0.5000-0.0000 ( 2290 PWs) bands (ev): -29.2993 -29.2993 -10.8269 -10.8269 -10.7812 -10.7812 -10.4591 -10.4591 -10.1405 -10.1405 -10.0840 -10.0840 -9.3685 -9.3685 -9.2991 -9.2991 -8.8802 -8.8802 -7.1205 -7.1205 -7.0335 -7.0335 -4.2530 -4.2530 4.6500 4.6500 4.9295 4.9295 6.0643 6.0643 7.0384 7.0384 8.0512 8.0512 8.5492 8.5492 8.6931 8.6931 8.7662 8.7662 8.8043 8.8043 16.0615 16.0615 16.1213 16.1213 16.1714 16.1714 16.8291 16.8291 k = 0.0732 0.5000-0.0000 ( 2298 PWs) bands (ev): -29.2992 -29.2992 -10.8232 -10.8232 -10.7767 -10.7767 -10.4589 -10.4589 -10.1415 -10.1415 -10.0849 -10.0849 -9.3685 -9.3685 -9.2986 -9.2986 -8.8808 -8.8808 -7.1198 -7.1198 -7.0306 -7.0306 -4.2771 -4.2771 4.5878 4.5878 4.9297 4.9297 6.1533 6.1533 7.0301 7.0301 8.0232 8.0232 8.5445 8.5445 8.7370 8.7370 8.7606 8.7606 8.8065 8.8065 16.0749 16.0749 16.1289 16.1289 16.1853 16.1853 16.8256 16.8256 k = 0.0854 0.5000-0.0000 ( 2294 PWs) bands (ev): -29.2991 -29.2991 -10.8191 -10.8191 -10.7711 -10.7711 -10.4585 -10.4585 -10.1426 -10.1426 -10.0858 -10.0858 -9.3685 -9.3685 -9.2980 -9.2980 -8.8815 -8.8815 -7.1190 -7.1190 -7.0271 -7.0271 -4.3052 -4.3052 4.5210 4.5210 4.9336 4.9336 6.2473 6.2473 7.0200 7.0200 7.9957 7.9957 8.5388 8.5388 8.7533 8.7533 8.7838 8.7838 8.8100 8.8100 16.0896 16.0896 16.1390 16.1390 16.2016 16.2016 16.8190 16.8190 k = 0.0976 0.5000-0.0000 ( 2298 PWs) bands (ev): -29.2990 -29.2990 -10.8149 -10.8149 -10.7644 -10.7644 -10.4580 -10.4580 -10.1439 -10.1439 -10.0869 -10.0869 -9.3685 -9.3685 -9.2972 -9.2972 -8.8823 -8.8823 -7.1180 -7.1180 -7.0232 -7.0232 -4.3374 -4.3374 4.4522 4.4522 4.9403 4.9403 6.3446 6.3446 7.0082 7.0082 7.9695 7.9695 8.5321 8.5321 8.7445 8.7445 8.8148 8.8148 8.8326 8.8326 16.1044 16.1044 16.1524 16.1524 16.2202 16.2202 16.8085 16.8085 k = 0.1098 0.5000-0.0000 ( 2290 PWs) bands (ev): -29.2989 -29.2989 -10.8107 -10.8107 -10.7566 -10.7566 -10.4573 -10.4573 -10.1453 -10.1453 -10.0880 -10.0880 -9.3686 -9.3686 -9.2962 -9.2962 -8.8832 -8.8832 -7.1168 -7.1168 -7.0188 -7.0188 -4.3734 -4.3734 4.3828 4.3828 4.9491 4.9491 6.4438 6.4438 6.9945 6.9945 7.9451 7.9451 8.5246 8.5246 8.7342 8.7342 8.8211 8.8211 8.8829 8.8829 16.1184 16.1184 16.1700 16.1700 16.2412 16.2412 16.7942 16.7942 k = 0.1220 0.5000-0.0000 ( 2286 PWs) bands (ev): -29.2988 -29.2988 -10.8063 -10.8063 -10.7478 -10.7478 -10.4565 -10.4565 -10.1468 -10.1468 -10.0893 -10.0893 -9.3686 -9.3686 -9.2951 -9.2951 -8.8841 -8.8841 -7.1154 -7.1154 -7.0140 -7.0140 -4.4131 -4.4131 4.3138 4.3138 4.9596 4.9596 6.5438 6.5438 6.9790 6.9790 7.9230 7.9230 8.5164 8.5164 8.7227 8.7227 8.8289 8.8289 8.9341 8.9341 16.1312 16.1312 16.1921 16.1921 16.2643 16.2643 16.7760 16.7760 k = 0.1341 0.5000-0.0000 ( 2286 PWs) bands (ev): -29.2986 -29.2986 -10.8020 -10.8020 -10.7380 -10.7380 -10.4554 -10.4554 -10.1485 -10.1485 -10.0906 -10.0906 -9.3687 -9.3687 -9.2937 -9.2937 -8.8852 -8.8852 -7.1137 -7.1137 -7.0089 -7.0089 -4.4562 -4.4562 4.2460 4.2460 4.9717 4.9717 6.6436 6.6436 6.9618 6.9618 7.9033 7.9033 8.5075 8.5075 8.7099 8.7099 8.8383 8.8383 8.9859 8.9859 16.1431 16.1431 16.2181 16.2181 16.2893 16.2893 16.7546 16.7546 k = 0.1463 0.5000-0.0000 ( 2286 PWs) bands (ev): -29.2985 -29.2985 -10.7976 -10.7976 -10.7275 -10.7275 -10.4540 -10.4540 -10.1503 -10.1503 -10.0920 -10.0920 -9.3688 -9.3688 -9.2920 -9.2920 -8.8863 -8.8863 -7.1118 -7.1118 -7.0034 -7.0034 -4.5027 -4.5027 4.1799 4.1799 4.9852 4.9852 6.7420 6.7420 6.9434 6.9434 7.8863 7.8863 8.4980 8.4980 8.6960 8.6960 8.8494 8.8494 9.0380 9.0380 16.1547 16.1547 16.2475 16.2475 16.3162 16.3162 16.7306 16.7306 k = 0.1585 0.5000-0.0000 ( 2288 PWs) bands (ev): -29.2983 -29.2983 -10.7932 -10.7932 -10.7164 -10.7164 -10.4523 -10.4523 -10.1522 -10.1522 -10.0935 -10.0935 -9.3689 -9.3689 -9.2900 -9.2900 -8.8875 -8.8875 -7.1095 -7.1095 -6.9976 -6.9976 -4.5524 -4.5524 4.1157 4.1157 4.9998 4.9998 6.8358 6.8358 6.9263 6.9263 7.8720 7.8720 8.4879 8.4879 8.6811 8.6811 8.8625 8.8625 9.0902 9.0902 16.1661 16.1661 16.2798 16.2798 16.3448 16.3448 16.7043 16.7043 k = 0.1707 0.5000-0.0000 ( 2288 PWs) bands (ev): -29.2981 -29.2981 -10.7888 -10.7888 -10.7048 -10.7048 -10.4501 -10.4501 -10.1541 -10.1541 -10.0950 -10.0950 -9.3691 -9.3691 -9.2878 -9.2878 -8.8887 -8.8887 -7.1069 -7.1069 -6.9914 -6.9914 -4.6049 -4.6049 4.0538 4.0538 5.0155 5.0155 6.8853 6.8853 6.9497 6.9497 7.8604 7.8604 8.4774 8.4774 8.6651 8.6651 8.8778 8.8778 9.1423 9.1423 16.1777 16.1777 16.3145 16.3145 16.3750 16.3750 16.6765 16.6765 k = 0.1829 0.5000-0.0000 ( 2280 PWs) bands (ev): -29.2980 -29.2980 -10.7843 -10.7843 -10.6931 -10.6931 -10.4474 -10.4474 -10.1561 -10.1561 -10.0965 -10.0965 -9.3693 -9.3693 -9.2851 -9.2851 -8.8899 -8.8899 -7.1039 -7.1039 -6.9851 -6.9851 -4.6601 -4.6601 3.9942 3.9942 5.0322 5.0322 6.8685 6.8685 7.0352 7.0352 7.8514 7.8514 8.4665 8.4665 8.6483 8.6483 8.8954 8.8954 9.1941 9.1941 16.1895 16.1895 16.3515 16.3515 16.4068 16.4068 16.6477 16.6477 k = 0.1951 0.5000-0.0000 ( 2282 PWs) bands (ev): -29.2978 -29.2978 -10.7797 -10.7797 -10.6814 -10.6814 -10.4441 -10.4441 -10.1581 -10.1581 -10.0981 -10.0981 -9.3695 -9.3695 -9.2821 -9.2821 -8.8913 -8.8913 -7.1005 -7.1005 -6.9786 -6.9786 -4.7177 -4.7177 3.9371 3.9371 5.0498 5.0498 6.8445 6.8445 7.1231 7.1231 7.8449 7.8449 8.4552 8.4552 8.6307 8.6307 8.9156 8.9156 9.2454 9.2454 16.2015 16.2015 16.3904 16.3904 16.4397 16.4397 16.6180 16.6180 k = 0.2073 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2976 -29.2976 -10.7750 -10.7750 -10.6699 -10.6699 -10.4400 -10.4400 -10.1602 -10.1602 -10.0996 -10.0996 -9.3699 -9.3699 -9.2786 -9.2786 -8.8926 -8.8926 -7.0966 -7.0966 -6.9719 -6.9719 -4.7776 -4.7776 3.8826 3.8826 5.0681 5.0681 6.8187 6.8187 7.2078 7.2078 7.8406 7.8406 8.4437 8.4437 8.6124 8.6124 8.9385 8.9385 9.2960 9.2960 16.2137 16.2137 16.4310 16.4310 16.4738 16.4738 16.5880 16.5880 k = 0.2195 0.5000-0.0000 ( 2274 PWs) bands (ev): -29.2974 -29.2974 -10.7703 -10.7703 -10.6590 -10.6590 -10.4351 -10.4351 -10.1622 -10.1622 -10.1012 -10.1012 -9.3703 -9.3703 -9.2747 -9.2747 -8.8939 -8.8939 -7.0922 -7.0922 -6.9650 -6.9650 -4.8393 -4.8393 3.8307 3.8307 5.0870 5.0870 6.7919 6.7919 7.2883 7.2883 7.8384 7.8384 8.4319 8.4319 8.5934 8.5934 8.9643 8.9643 9.3459 9.3459 16.2262 16.2262 16.4731 16.4731 16.5087 16.5087 16.5580 16.5580 k = 0.2317 0.5000-0.0000 ( 2280 PWs) bands (ev): -29.2972 -29.2972 -10.7655 -10.7655 -10.6488 -10.6488 -10.4293 -10.4293 -10.1642 -10.1642 -10.1027 -10.1027 -9.3707 -9.3707 -9.2703 -9.2703 -8.8953 -8.8953 -7.0873 -7.0873 -6.9581 -6.9581 -4.9028 -4.9028 3.7814 3.7814 5.1065 5.1065 6.7646 6.7646 7.3639 7.3639 7.8380 7.8380 8.4201 8.4201 8.5739 8.5739 8.9931 8.9931 9.3949 9.3949 16.2387 16.2387 16.5141 16.5141 16.5301 16.5301 16.5447 16.5447 k = 0.2439 0.5000-0.0000 ( 2270 PWs) bands (ev): -29.2970 -29.2970 -10.7606 -10.7606 -10.6394 -10.6394 -10.4225 -10.4225 -10.1661 -10.1661 -10.1042 -10.1042 -9.3712 -9.3712 -9.2655 -9.2655 -8.8967 -8.8967 -7.0817 -7.0817 -6.9511 -6.9511 -4.9676 -4.9676 3.7347 3.7347 5.1265 5.1265 6.7368 6.7368 7.4343 7.4343 7.8394 7.8394 8.4082 8.4082 8.5540 8.5540 9.0249 9.0249 9.4427 9.4427 16.2513 16.2513 16.4971 16.4971 16.5620 16.5620 16.5811 16.5811 k = 0.2561 0.5000-0.0000 ( 2270 PWs) bands (ev): -29.2968 -29.2968 -10.7557 -10.7557 -10.6311 -10.6311 -10.4148 -10.4148 -10.1679 -10.1679 -10.1057 -10.1057 -9.3718 -9.3718 -9.2602 -9.2602 -8.8981 -8.8981 -7.0755 -7.0755 -6.9442 -6.9442 -5.0336 -5.0336 3.6906 3.6906 5.1468 5.1468 6.7091 6.7091 7.4991 7.4991 7.8421 7.8421 8.3963 8.3963 8.5338 8.5338 9.0596 9.0596 9.4894 9.4894 16.2639 16.2639 16.4681 16.4681 16.6064 16.6064 16.6184 16.6184 k = 0.2683 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2966 -29.2966 -10.7508 -10.7508 -10.6239 -10.6239 -10.4062 -10.4062 -10.1696 -10.1696 -10.1072 -10.1072 -9.3724 -9.3724 -9.2544 -9.2544 -8.8994 -8.8994 -7.0687 -7.0687 -6.9373 -6.9373 -5.1004 -5.1004 3.6490 3.6490 5.1673 5.1673 6.6815 6.6815 7.5583 7.5583 7.8461 7.8461 8.3845 8.3845 8.5133 8.5133 9.0970 9.0970 9.5348 9.5348 16.2765 16.2765 16.4395 16.4395 16.6491 16.6491 16.6585 16.6585 k = 0.2805 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2964 -29.2964 -10.7458 -10.7458 -10.6179 -10.6179 -10.3968 -10.3968 -10.1711 -10.1711 -10.1087 -10.1087 -9.3731 -9.3731 -9.2481 -9.2481 -8.9008 -8.9008 -7.0610 -7.0610 -6.9304 -6.9304 -5.1677 -5.1677 3.6100 3.6100 5.1879 5.1879 6.6543 6.6543 7.6119 7.6119 7.8512 7.8512 8.3729 8.3729 8.4928 8.4928 9.1369 9.1369 9.5787 9.5787 16.2890 16.2890 16.4117 16.4117 16.6877 16.6877 16.7031 16.7031 k = 0.2927 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2963 -29.2963 -10.7409 -10.7409 -10.6129 -10.6129 -10.3868 -10.3868 -10.1723 -10.1723 -10.1101 -10.1101 -9.3738 -9.3738 -9.2415 -9.2415 -8.9021 -8.9021 -7.0526 -7.0526 -6.9237 -6.9237 -5.2353 -5.2353 3.5735 3.5735 5.2085 5.2085 6.6276 6.6276 7.6599 7.6599 7.8570 7.8570 8.3615 8.3615 8.4722 8.4722 9.1787 9.1787 9.6211 9.6211 16.3013 16.3013 16.3849 16.3849 16.7246 16.7246 16.7494 16.7494 k = 0.3049 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2961 -29.2961 -10.7359 -10.7359 -10.6091 -10.6091 -10.3764 -10.3764 -10.1733 -10.1733 -10.1115 -10.1115 -9.3746 -9.3746 -9.2344 -9.2344 -8.9034 -8.9034 -7.0434 -7.0434 -6.9171 -6.9171 -5.3029 -5.3029 3.5394 3.5394 5.2289 5.2289 6.6017 6.6017 7.7026 7.7026 7.8636 7.8636 8.3504 8.3504 8.4519 8.4519 9.2221 9.2221 9.6617 9.6617 16.3134 16.3134 16.3590 16.3590 16.7605 16.7605 16.7960 16.7960 k = 0.3171 0.5000-0.0000 ( 2282 PWs) bands (ev): -29.2959 -29.2959 -10.7310 -10.7310 -10.6061 -10.6061 -10.3658 -10.3658 -10.1741 -10.1741 -10.1128 -10.1128 -9.3753 -9.3753 -9.2270 -9.2270 -8.9046 -8.9046 -7.0334 -7.0334 -6.9107 -6.9107 -5.3700 -5.3700 3.5077 3.5077 5.2490 5.2490 6.5767 6.5767 7.7402 7.7402 7.8707 7.8707 8.3396 8.3396 8.4318 8.4318 9.2666 9.2666 9.7006 9.7006 16.3251 16.3251 16.3344 16.3344 16.7956 16.7956 16.8423 16.8423 k = 0.3293 0.5000-0.0000 ( 2282 PWs) bands (ev): -29.2957 -29.2957 -10.7262 -10.7262 -10.6040 -10.6040 -10.3553 -10.3553 -10.1745 -10.1745 -10.1141 -10.1141 -9.3761 -9.3761 -9.2193 -9.2193 -8.9058 -8.9058 -7.0225 -7.0225 -6.9045 -6.9045 -5.4364 -5.4364 3.4783 3.4783 5.2687 5.2687 6.5527 6.5527 7.7731 7.7731 7.8781 7.8781 8.3292 8.3292 8.4121 8.4121 9.3114 9.3114 9.7376 9.7376 16.3110 16.3110 16.3365 16.3365 16.8296 16.8296 16.8879 16.8879 k = 0.3415 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2956 -29.2956 -10.7215 -10.7215 -10.6026 -10.6026 -10.3450 -10.3450 -10.1744 -10.1744 -10.1153 -10.1153 -9.3768 -9.3768 -9.2115 -9.2115 -8.9069 -8.9069 -7.0108 -7.0108 -6.8985 -6.8985 -5.5017 -5.5017 3.4512 3.4512 5.2879 5.2879 6.5299 6.5299 7.8016 7.8016 7.8858 7.8858 8.3193 8.3193 8.3930 8.3930 9.3560 9.3560 9.7725 9.7725 16.2888 16.2888 16.3476 16.3476 16.8625 16.8625 16.9325 16.9325 k = 0.3537 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2954 -29.2954 -10.7169 -10.7169 -10.6018 -10.6018 -10.3353 -10.3353 -10.1741 -10.1741 -10.1164 -10.1164 -9.3776 -9.3776 -9.2035 -9.2035 -8.9080 -8.9080 -6.9983 -6.9983 -6.8928 -6.8928 -5.5655 -5.5655 3.4264 3.4264 5.3064 5.3064 6.5084 6.5084 7.8262 7.8262 7.8937 7.8937 8.3099 8.3099 8.3746 8.3746 9.3998 9.3998 9.8053 9.8053 16.2681 16.2681 16.3580 16.3580 16.8939 16.8939 16.9757 16.9757 k = 0.3659 0.5000-0.0000 ( 2278 PWs) bands (ev): -29.2952 -29.2952 -10.7124 -10.7124 -10.6014 -10.6014 -10.3263 -10.3263 -10.1733 -10.1733 -10.1175 -10.1175 -9.3783 -9.3783 -9.1955 -9.1955 -8.9090 -8.9090 -6.9851 -6.9851 -6.8874 -6.8874 -5.6276 -5.6276 3.4037 3.4037 5.3240 5.3240 6.4882 6.4882 7.8472 7.8472 7.9016 7.9016 8.3010 8.3010 8.3571 8.3571 9.4422 9.4422 9.8358 9.8358 16.2488 16.2488 16.3680 16.3680 16.9237 16.9237 17.0171 17.0171 k = 0.3780 0.5000-0.0000 ( 2282 PWs) bands (ev): -29.2951 -29.2951 -10.7081 -10.7081 -10.6015 -10.6015 -10.3180 -10.3180 -10.1721 -10.1721 -10.1186 -10.1186 -9.3790 -9.3790 -9.1876 -9.1876 -8.9100 -8.9100 -6.9713 -6.9713 -6.8823 -6.8823 -5.6873 -5.6873 3.3832 3.3832 5.3406 5.3406 6.4695 6.4695 7.8648 7.8648 7.9095 7.9095 8.2928 8.2928 8.3405 8.3405 9.4827 9.4827 9.8641 9.8641 16.2310 16.2310 16.3773 16.3773 16.9517 16.9517 17.0562 17.0562 k = 0.3902 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2950 -29.2950 -10.7041 -10.7041 -10.6019 -10.6019 -10.3107 -10.3107 -10.1705 -10.1705 -10.1195 -10.1195 -9.3797 -9.3797 -9.1799 -9.1799 -8.9108 -8.9108 -6.9570 -6.9570 -6.8774 -6.8774 -5.7443 -5.7443 3.3648 3.3648 5.3562 5.3562 6.4524 6.4524 7.8796 7.8796 7.9172 7.9172 8.2851 8.2851 8.3251 8.3251 9.5208 9.5208 9.8899 9.8899 16.2148 16.2148 16.3860 16.3860 16.9777 16.9777 17.0898 17.0898 k = 0.4024 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2949 -29.2949 -10.7003 -10.7003 -10.6025 -10.6025 -10.3043 -10.3043 -10.1687 -10.1687 -10.1204 -10.1204 -9.3803 -9.3803 -9.1726 -9.1726 -8.9116 -8.9116 -6.9426 -6.9426 -6.8728 -6.8728 -5.7981 -5.7981 3.3484 3.3484 5.3705 5.3705 6.4369 6.4369 7.8917 7.8917 7.9246 7.9246 8.2781 8.2781 8.3109 8.3109 9.5560 9.5560 9.9133 9.9133 16.2002 16.2002 16.3939 16.3939 17.0015 17.0015 17.0961 17.0961 k = 0.4146 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2948 -29.2948 -10.6967 -10.6967 -10.6033 -10.6033 -10.2989 -10.2989 -10.1666 -10.1666 -10.1212 -10.1212 -9.3809 -9.3809 -9.1658 -9.1658 -8.9123 -8.9123 -6.9285 -6.9285 -6.8684 -6.8684 -5.8480 -5.8480 3.3341 3.3341 5.3835 5.3835 6.4231 6.4231 7.9016 7.9016 7.9316 7.9316 8.2717 8.2717 8.2982 8.2982 9.5880 9.5880 9.9340 9.9340 16.1872 16.1872 16.4010 16.4010 17.0229 17.0229 17.0965 17.0965 k = 0.4268 0.5000-0.0000 ( 2276 PWs) bands (ev): -29.2947 -29.2947 -10.6935 -10.6935 -10.6042 -10.6042 -10.2945 -10.2945 -10.1645 -10.1645 -10.1220 -10.1220 -9.3814 -9.3814 -9.1595 -9.1595 -8.9129 -8.9129 -6.9149 -6.9149 -6.8641 -6.8641 -5.8936 -5.8936 3.3217 3.3217 5.3950 5.3950 6.4110 6.4110 7.9096 7.9096 7.9379 7.9379 8.2660 8.2660 8.2871 8.2871 9.6163 9.6163 9.9522 9.9522 16.1758 16.1758 16.4072 16.4072 17.0417 17.0417 17.0966 17.0966 k = 0.4390 0.5000-0.0000 ( 2276 PWs) bands (ev): -29.2946 -29.2946 -10.6907 -10.6907 -10.6051 -10.6051 -10.2908 -10.2908 -10.1624 -10.1624 -10.1227 -10.1227 -9.3818 -9.3818 -9.1540 -9.1540 -8.9134 -8.9134 -6.9027 -6.9027 -6.8598 -6.8598 -5.9339 -5.9339 3.3113 3.3113 5.4049 5.4049 6.4007 6.4007 7.9161 7.9161 7.9434 7.9434 8.2608 8.2608 8.2777 8.2777 9.6408 9.6408 9.9677 9.9677 16.1662 16.1662 16.4125 16.4125 17.0579 17.0579 17.0968 17.0968 k = 0.4512 0.5000-0.0000 ( 2268 PWs) bands (ev): -29.2945 -29.2945 -10.6883 -10.6883 -10.6059 -10.6059 -10.2880 -10.2880 -10.1604 -10.1604 -10.1233 -10.1233 -9.3822 -9.3822 -9.1493 -9.1493 -8.9138 -8.9138 -6.8924 -6.8924 -6.8554 -6.8554 -5.9685 -5.9685 3.3028 3.3028 5.4132 5.4132 6.3922 6.3922 7.9211 7.9211 7.9480 7.9480 8.2563 8.2563 8.2702 8.2702 9.6611 9.6611 9.9804 9.9804 16.1583 16.1583 16.4170 16.4170 17.0713 17.0713 17.0970 17.0970 k = 0.4634 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2945 -29.2945 -10.6864 -10.6864 -10.6066 -10.6066 -10.2859 -10.2859 -10.1587 -10.1587 -10.1238 -10.1238 -9.3824 -9.3824 -9.1456 -9.1456 -8.9142 -8.9142 -6.8845 -6.8845 -6.8509 -6.8509 -5.9964 -5.9964 3.2962 3.2962 5.4197 5.4197 6.3855 6.3855 7.9249 7.9249 7.9516 7.9516 8.2524 8.2524 8.2646 8.2646 9.6771 9.6771 9.9903 9.9903 16.1521 16.1521 16.4205 16.4205 17.0815 17.0815 17.0974 17.0974 k = 0.4756 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2944 -29.2944 -10.6850 -10.6850 -10.6071 -10.6071 -10.2844 -10.2844 -10.1574 -10.1574 -10.1242 -10.1242 -9.3827 -9.3827 -9.1429 -9.1429 -8.9144 -8.9144 -6.8793 -6.8793 -6.8468 -6.8468 -6.0170 -6.0170 3.2915 3.2915 5.4244 5.4244 6.3808 6.3808 7.9276 7.9276 7.9542 7.9542 8.2494 8.2494 8.2608 8.2608 9.6886 9.6886 9.9974 9.9974 16.1477 16.1477 16.4230 16.4230 17.0882 17.0882 17.0983 17.0983 k = 0.4878 0.5000-0.0000 ( 2296 PWs) bands (ev): -29.2944 -29.2944 -10.6841 -10.6841 -10.6076 -10.6076 -10.2837 -10.2837 -10.1567 -10.1567 -10.1244 -10.1244 -9.3828 -9.3828 -9.1412 -9.1412 -8.9145 -8.9145 -6.8763 -6.8763 -6.8439 -6.8439 -6.0296 -6.0296 3.2887 3.2887 5.4272 5.4272 6.3779 6.3779 7.9292 7.9292 7.9557 7.9557 8.2474 8.2474 8.2587 8.2587 9.6956 9.6956 10.0017 10.0017 16.1448 16.1448 16.4244 16.4244 17.0913 17.0913 17.0996 17.0996 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -29.2944 -29.2944 -10.6838 -10.6838 -10.6077 -10.6077 -10.2834 -10.2834 -10.1564 -10.1564 -10.1245 -10.1245 -9.3828 -9.3828 -9.1406 -9.1406 -8.9146 -8.9146 -6.8754 -6.8754 -6.8428 -6.8428 -6.0339 -6.0339 3.2878 3.2878 5.4281 5.4281 6.3770 6.3770 7.9297 7.9297 7.9563 7.9563 8.2467 8.2467 8.2580 8.2580 9.6979 9.6979 10.0031 10.0031 16.1439 16.1439 16.4249 16.4249 17.0921 17.0921 17.1003 17.1003 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -29.2944 -29.2944 -10.6838 -10.6838 -10.6077 -10.6077 -10.2834 -10.2834 -10.1564 -10.1564 -10.1245 -10.1245 -9.3828 -9.3828 -9.1406 -9.1406 -8.9146 -8.9146 -6.8754 -6.8754 -6.8428 -6.8428 -6.0339 -6.0339 3.2878 3.2878 5.4281 5.4281 6.3770 6.3770 7.9297 7.9297 7.9563 7.9563 8.2467 8.2467 8.2580 8.2580 9.6979 9.6979 10.0031 10.0031 16.1439 16.1439 16.4249 16.4249 17.0921 17.0921 17.1003 17.1003 k = 0.4912 0.4912-0.0000 ( 2296 PWs) bands (ev): -29.2944 -29.2944 -10.6841 -10.6841 -10.6076 -10.6076 -10.2837 -10.2837 -10.1567 -10.1567 -10.1244 -10.1244 -9.3828 -9.3828 -9.1412 -9.1412 -8.9145 -8.9145 -6.8767 -6.8767 -6.8436 -6.8436 -6.0295 -6.0295 3.2888 3.2888 5.4272 5.4272 6.3779 6.3779 7.9291 7.9291 7.9557 7.9557 8.2474 8.2474 8.2587 8.2587 9.6955 9.6955 10.0017 10.0017 16.1448 16.1448 16.4244 16.4244 17.0913 17.0913 17.0995 17.0995 k = 0.4825 0.4825-0.0000 ( 2284 PWs) bands (ev): -29.2944 -29.2944 -10.6850 -10.6850 -10.6072 -10.6072 -10.2845 -10.2845 -10.1575 -10.1575 -10.1242 -10.1242 -9.3826 -9.3826 -9.1429 -9.1429 -8.9144 -8.9144 -6.8834 -6.8834 -6.8427 -6.8427 -6.0166 -6.0166 3.2917 3.2917 5.4242 5.4242 6.3809 6.3809 7.9274 7.9274 7.9542 7.9542 8.2494 8.2494 8.2610 8.2610 9.6883 9.6883 9.9973 9.9973 16.1476 16.1476 16.4229 16.4229 17.0890 17.0890 17.0971 17.0971 k = 0.4737 0.4737-0.0000 ( 2272 PWs) bands (ev): -29.2945 -29.2945 -10.6865 -10.6865 -10.6066 -10.6066 -10.2860 -10.2860 -10.1588 -10.1588 -10.1238 -10.1238 -9.3824 -9.3824 -9.1458 -9.1458 -8.9141 -8.9141 -6.8996 -6.8996 -6.8356 -6.8356 -5.9959 -5.9959 3.2965 3.2965 5.4194 5.4194 6.3859 6.3859 7.9245 7.9245 7.9518 7.9518 8.2525 8.2525 8.2649 8.2649 9.6762 9.6762 9.9902 9.9902 16.1519 16.1519 16.4206 16.4206 17.0851 17.0851 17.0933 17.0933 k = 0.4649 0.4649-0.0000 ( 2272 PWs) bands (ev): -29.2945 -29.2945 -10.6884 -10.6884 -10.6058 -10.6058 -10.2880 -10.2880 -10.1606 -10.1606 -10.1234 -10.1234 -9.3821 -9.3821 -9.1497 -9.1497 -8.9138 -8.9138 -6.9241 -6.9241 -6.8224 -6.8224 -5.9684 -5.9684 3.3032 3.3032 5.4126 5.4126 6.3928 6.3928 7.9199 7.9199 7.9487 7.9487 8.2564 8.2564 8.2709 8.2709 9.6592 9.6592 9.9807 9.9807 16.1573 16.1573 16.4175 16.4175 17.0795 17.0795 17.0878 17.0878 k = 0.4561 0.4561-0.0000 ( 2280 PWs) bands (ev): -29.2946 -29.2946 -10.6909 -10.6909 -10.6049 -10.6049 -10.2908 -10.2908 -10.1627 -10.1627 -10.1230 -10.1230 -9.3818 -9.3818 -9.1545 -9.1545 -8.9134 -8.9134 -6.9548 -6.9548 -6.8042 -6.8042 -5.9353 -5.9353 3.3118 3.3118 5.4041 5.4041 6.4018 6.4018 7.9134 7.9134 7.9453 7.9453 8.2608 8.2608 8.2790 8.2790 9.6373 9.6373 9.9690 9.9690 16.1634 16.1634 16.4141 16.4141 17.0723 17.0723 17.0808 17.0808 k = 0.4474 0.4474-0.0000 ( 2280 PWs) bands (ev): -29.2947 -29.2947 -10.6937 -10.6937 -10.6040 -10.6040 -10.2942 -10.2942 -10.1651 -10.1651 -10.1226 -10.1226 -9.3813 -9.3813 -9.1603 -9.1603 -8.9128 -8.9128 -6.9901 -6.9901 -6.7817 -6.7817 -5.8977 -5.8977 3.3222 3.3222 5.3937 5.3937 6.4127 6.4127 7.9046 7.9046 7.9419 7.9419 8.2659 8.2659 8.2891 8.2891 9.6106 9.6106 9.9555 9.9555 16.1697 16.1697 16.4109 16.4109 17.0634 17.0634 17.0723 17.0723 k = 0.4386 0.4386-0.0000 ( 2276 PWs) bands (ev): -29.2948 -29.2948 -10.6969 -10.6969 -10.6029 -10.6029 -10.2983 -10.2983 -10.1677 -10.1677 -10.1223 -10.1223 -9.3808 -9.3808 -9.1668 -9.1668 -8.9122 -8.9122 -7.0290 -7.0290 -6.7550 -6.7550 -5.8564 -5.8564 3.3344 3.3344 5.3818 5.3818 6.4257 6.4257 7.8932 7.8932 7.9387 7.9387 8.2716 8.2716 8.3010 8.3010 9.5794 9.5794 9.9405 9.9405 16.1752 16.1752 16.4084 16.4084 17.0529 17.0529 17.0624 17.0624 k = 0.4298 0.4298-0.0000 ( 2286 PWs) bands (ev): -29.2949 -29.2949 -10.7003 -10.7003 -10.6019 -10.6019 -10.3031 -10.3031 -10.1704 -10.1704 -10.1220 -10.1220 -9.3802 -9.3802 -9.1740 -9.1740 -8.9115 -8.9115 -7.0705 -7.0705 -6.7246 -6.7246 -5.8123 -5.8123 3.3484 3.3484 5.3682 5.3682 6.4408 6.4408 7.8789 7.8789 7.9359 7.9359 8.2779 8.2779 8.3146 8.3146 9.5438 9.5438 9.9243 9.9243 16.1789 16.1789 16.4073 16.4073 17.0408 17.0408 17.0511 17.0511 k = 0.4211 0.4211-0.0000 ( 2282 PWs) bands (ev): -29.2950 -29.2950 -10.7040 -10.7040 -10.6009 -10.6009 -10.3087 -10.3087 -10.1731 -10.1731 -10.1219 -10.1219 -9.3796 -9.3796 -9.1818 -9.1818 -8.9107 -8.9107 -7.1141 -7.1141 -6.6905 -6.6905 -5.7660 -5.7660 3.3640 3.3640 5.3532 5.3532 6.4579 6.4579 7.8616 7.8616 7.9334 7.9334 8.2850 8.2850 8.3298 8.3298 9.5045 9.5045 9.9070 9.9070 16.1798 16.1798 16.4082 16.4082 17.0272 17.0272 17.0383 17.0383 k = 0.4123 0.4123-0.0000 ( 2280 PWs) bands (ev): -29.2952 -29.2952 -10.7078 -10.7078 -10.6000 -10.6000 -10.3151 -10.3151 -10.1758 -10.1758 -10.1218 -10.1218 -9.3789 -9.3789 -9.1900 -9.1900 -8.9098 -8.9098 -7.1592 -7.1592 -6.6530 -6.6530 -5.7180 -5.7180 3.3813 3.3813 5.3368 5.3368 6.4772 6.4772 7.8409 7.8409 7.9315 7.9315 8.2929 8.2929 8.3464 8.3464 9.4620 9.4620 9.8888 9.8888 16.1773 16.1773 16.4115 16.4115 17.0119 17.0119 17.0234 17.0234 k = 0.4035 0.4035-0.0000 ( 2280 PWs) bands (ev): -29.2953 -29.2953 -10.7118 -10.7118 -10.5991 -10.5991 -10.3223 -10.3223 -10.1785 -10.1785 -10.1218 -10.1218 -9.3781 -9.3781 -9.1985 -9.1985 -8.9089 -8.9089 -7.2054 -7.2054 -6.6123 -6.6123 -5.6688 -5.6688 3.4002 3.4002 5.3193 5.3193 6.4986 6.4986 7.8166 7.8166 7.9301 7.9301 8.3014 8.3014 8.3643 8.3643 9.4169 9.4169 9.8698 9.8698 16.1708 16.1708 16.4173 16.4173 16.9930 16.9930 16.9997 16.9997 k = 0.3947 0.3947-0.0000 ( 2270 PWs) bands (ev): -29.2955 -29.2955 -10.7159 -10.7159 -10.5983 -10.5983 -10.3302 -10.3302 -10.1811 -10.1811 -10.1219 -10.1219 -9.3774 -9.3774 -9.2072 -9.2072 -8.9078 -8.9078 -7.2523 -7.2523 -6.5686 -6.5686 -5.6187 -5.6187 3.4206 3.4206 5.3006 5.3006 6.5223 6.5223 7.7883 7.7883 7.9294 7.9294 8.3106 8.3106 8.3833 8.3833 9.3700 9.3700 9.8500 9.8500 16.1603 16.1603 16.4253 16.4253 16.9523 16.9523 16.9784 16.9784 k = 0.3860 0.3860-0.0000 ( 2274 PWs) bands (ev): -29.2957 -29.2957 -10.7201 -10.7201 -10.5977 -10.5977 -10.3390 -10.3390 -10.1836 -10.1836 -10.1222 -10.1222 -9.3766 -9.3766 -9.2160 -9.2160 -8.9067 -8.9067 -7.2998 -7.2998 -6.5220 -6.5220 -5.5680 -5.5680 3.4424 3.4424 5.2809 5.2809 6.5481 6.5481 7.7557 7.7557 7.9296 7.9296 8.3206 8.3206 8.4033 8.4033 9.3222 9.3222 9.8295 9.8295 16.1460 16.1460 16.4345 16.4345 16.9037 16.9037 16.9588 16.9589 k = 0.3772 0.3772-0.0000 ( 2270 PWs) bands (ev): -29.2958 -29.2958 -10.7243 -10.7243 -10.5972 -10.5972 -10.3485 -10.3485 -10.1859 -10.1859 -10.1225 -10.1225 -9.3758 -9.3758 -9.2249 -9.2249 -8.9056 -8.9056 -7.3475 -7.3475 -6.4728 -6.4728 -5.5168 -5.5168 3.4656 3.4656 5.2603 5.2603 6.5762 6.5762 7.7183 7.7183 7.9307 7.9307 8.3312 8.3312 8.4241 8.4241 9.2742 9.2742 9.8084 9.8084 16.1284 16.1284 16.4441 16.4441 16.8521 16.8521 16.9383 16.9383 k = 0.3684 0.3684-0.0000 ( 2280 PWs) bands (ev): -29.2960 -29.2960 -10.7285 -10.7285 -10.5969 -10.5969 -10.3588 -10.3588 -10.1882 -10.1882 -10.1229 -10.1229 -9.3750 -9.3750 -9.2336 -9.2336 -8.9044 -8.9044 -7.3954 -7.3954 -6.4211 -6.4211 -5.4656 -5.4656 3.4900 3.4900 5.2390 5.2390 6.6065 6.6065 7.6760 7.6760 7.9329 7.9329 8.3425 8.3425 8.4457 8.4457 9.2269 9.2269 9.7866 9.7866 16.1078 16.1078 16.4529 16.4529 16.7979 16.7979 16.9165 16.9165 k = 0.3596 0.3596-0.0000 ( 2280 PWs) bands (ev): -29.2963 -29.2963 -10.7326 -10.7326 -10.5967 -10.5967 -10.3697 -10.3697 -10.1902 -10.1902 -10.1233 -10.1233 -9.3741 -9.3741 -9.2422 -9.2422 -8.9031 -8.9031 -7.4433 -7.4433 -6.3670 -6.3670 -5.4143 -5.4143 3.5156 3.5156 5.2171 5.2171 6.6393 6.6393 7.6283 7.6283 7.9363 7.9363 8.3545 8.3545 8.4679 8.4679 9.1810 9.1810 9.7642 9.7642 16.0848 16.0848 16.4599 16.4599 16.7416 16.7416 16.8937 16.8937 k = 0.3509 0.3509-0.0000 ( 2276 PWs) bands (ev): -29.2965 -29.2965 -10.7367 -10.7367 -10.5966 -10.5966 -10.3812 -10.3812 -10.1921 -10.1921 -10.1238 -10.1238 -9.3733 -9.3733 -9.2506 -9.2506 -8.9018 -8.9018 -7.4911 -7.4911 -6.3109 -6.3109 -5.3632 -5.3632 3.5423 3.5423 5.1947 5.1947 6.6743 6.6743 7.5751 7.5751 7.9411 7.9411 8.3671 8.3671 8.4906 8.4906 9.1373 9.1373 9.7412 9.7412 16.0596 16.0596 16.4640 16.4640 16.6833 16.6833 16.8698 16.8698 k = 0.3421 0.3421-0.0000 ( 2276 PWs) bands (ev): -29.2967 -29.2967 -10.7408 -10.7408 -10.5968 -10.5968 -10.3932 -10.3932 -10.1939 -10.1939 -10.1244 -10.1244 -9.3725 -9.3725 -9.2587 -9.2587 -8.9005 -8.9005 -7.5387 -7.5387 -6.2528 -6.2528 -5.3124 -5.3124 3.5701 3.5701 5.1719 5.1719 6.7118 6.7118 7.5161 7.5161 7.9473 7.9473 8.3802 8.3802 8.5136 8.5136 9.0961 9.0961 9.7177 9.7177 16.0324 16.0324 16.4635 16.4635 16.6232 16.6232 16.8450 16.8450 k = 0.3333 0.3333-0.0000 ( 2268 PWs) bands (ev): -29.2970 -29.2970 -10.7447 -10.7447 -10.5972 -10.5972 -10.4056 -10.4056 -10.1955 -10.1955 -10.1249 -10.1249 -9.3717 -9.3717 -9.2666 -9.2666 -8.8991 -8.8991 -7.5860 -7.5860 -6.1928 -6.1928 -5.2620 -5.2620 3.5988 3.5988 5.1488 5.1488 6.7517 6.7517 7.4515 7.4515 7.9550 7.9550 8.3940 8.3940 8.5369 8.5369 9.0581 9.0581 9.6936 9.6936 16.0036 16.0036 16.4569 16.4569 16.5616 16.5616 16.8193 16.8193 k = 0.3246 0.3246-0.0000 ( 2268 PWs) bands (ev): -29.2972 -29.2972 -10.7486 -10.7486 -10.5978 -10.5978 -10.4184 -10.4184 -10.1970 -10.1970 -10.1256 -10.1256 -9.3710 -9.3710 -9.2741 -9.2741 -8.8977 -8.8977 -7.6329 -7.6329 -6.1312 -6.1312 -5.2122 -5.2122 3.6284 3.6284 5.1254 5.1254 6.7940 6.7940 7.3813 7.3813 7.9643 7.9643 8.4082 8.4082 8.5603 8.5603 9.0234 9.0234 9.6691 9.6691 15.9733 15.9733 16.4416 16.4416 16.4987 16.4987 16.7928 16.7928 k = 0.3158 0.3158-0.0000 ( 2272 PWs) bands (ev): -29.2975 -29.2975 -10.7524 -10.7524 -10.5987 -10.5987 -10.4314 -10.4314 -10.1983 -10.1983 -10.1262 -10.1262 -9.3703 -9.3703 -9.2812 -9.2812 -8.8963 -8.8963 -7.6794 -7.6794 -6.0682 -6.0682 -5.1630 -5.1630 3.6587 3.6587 5.1020 5.1020 6.8388 6.8388 7.3058 7.3058 7.9754 7.9754 8.4230 8.4230 8.5837 8.5837 8.9922 8.9922 9.6443 9.6443 15.9417 15.9417 16.4143 16.4143 16.4347 16.4347 16.7654 16.7654 k = 0.3070 0.3070-0.0000 ( 2274 PWs) bands (ev): -29.2977 -29.2977 -10.7561 -10.7561 -10.5999 -10.5999 -10.4445 -10.4445 -10.1994 -10.1994 -10.1269 -10.1269 -9.3696 -9.3696 -9.2879 -9.2879 -8.8949 -8.8949 -7.7255 -7.7255 -6.0038 -6.0038 -5.1145 -5.1145 3.6897 3.6897 5.0786 5.0786 6.8860 6.8860 7.2253 7.2253 7.9882 7.9882 8.4382 8.4382 8.6071 8.6071 8.9646 8.9646 9.6191 9.6191 15.9088 15.9088 16.3671 16.3671 16.3740 16.3740 16.7374 16.7374 k = 0.2982 0.2982-0.0000 ( 2274 PWs) bands (ev): -29.2980 -29.2980 -10.7597 -10.7597 -10.6014 -10.6014 -10.4575 -10.4575 -10.2004 -10.2004 -10.1275 -10.1275 -9.3689 -9.3689 -9.2943 -9.2943 -8.8935 -8.8935 -7.7710 -7.7710 -5.9383 -5.9383 -5.0668 -5.0668 3.7214 3.7214 5.0553 5.0553 6.9353 6.9353 7.1406 7.1406 8.0029 8.0029 8.4539 8.4539 8.6303 8.6303 8.9405 8.9405 9.5936 9.5936 15.8747 15.8747 16.3021 16.3021 16.3113 16.3113 16.7088 16.7088 k = 0.2895 0.2895-0.0000 ( 2272 PWs) bands (ev): -29.2983 -29.2983 -10.7632 -10.7632 -10.6035 -10.6035 -10.4702 -10.4702 -10.2012 -10.2012 -10.1282 -10.1282 -9.3683 -9.3683 -9.3003 -9.3003 -8.8920 -8.8920 -7.8160 -7.8160 -5.8717 -5.8717 -5.0200 -5.0200 3.7536 3.7536 5.0322 5.0322 6.9845 6.9845 7.0543 7.0543 8.0194 8.0194 8.4699 8.4699 8.6533 8.6533 8.9198 8.9198 9.5679 9.5679 15.8396 15.8396 16.2292 16.2292 16.2363 16.2363 16.6797 16.6797 k = 0.2807 0.2807-0.0000 ( 2276 PWs) bands (ev): -29.2986 -29.2986 -10.7666 -10.7666 -10.6062 -10.6062 -10.4825 -10.4825 -10.2018 -10.2018 -10.1289 -10.1289 -9.3678 -9.3678 -9.3059 -9.3059 -8.8906 -8.8906 -7.8604 -7.8604 -5.8043 -5.8043 -4.9742 -4.9742 3.7863 3.7863 5.0093 5.0093 6.9533 6.9533 7.0475 7.0475 8.0378 8.0378 8.4863 8.4863 8.6760 8.6760 8.9022 8.9022 9.5422 9.5422 15.8033 15.8033 16.1315 16.1315 16.1688 16.1688 16.6501 16.6501 k = 0.2719 0.2719-0.0000 ( 2280 PWs) bands (ev): -29.2989 -29.2989 -10.7699 -10.7699 -10.6096 -10.6096 -10.4941 -10.4941 -10.2022 -10.2022 -10.1295 -10.1295 -9.3673 -9.3673 -9.3112 -9.3112 -8.8892 -8.8892 -7.9041 -7.9041 -5.7362 -5.7362 -4.9295 -4.9295 3.8194 3.8194 4.9867 4.9867 6.8592 6.8592 7.1027 7.1027 8.0580 8.0580 8.5030 8.5030 8.6983 8.6983 8.8876 8.8876 9.5163 9.5163 15.7658 15.7658 16.0212 16.0212 16.1013 16.1013 16.6202 16.6202 k = 0.2632 0.2632-0.0000 ( 2280 PWs) bands (ev): -29.2991 -29.2991 -10.7731 -10.7731 -10.6140 -10.6140 -10.5048 -10.5048 -10.2024 -10.2024 -10.1302 -10.1302 -9.3669 -9.3669 -9.3161 -9.3161 -8.8878 -8.8878 -7.9472 -7.9472 -5.6675 -5.6675 -4.8858 -4.8858 3.8527 3.8527 4.9644 4.9644 6.7610 6.7610 7.1621 7.1621 8.0800 8.0800 8.5200 8.5200 8.7202 8.7202 8.8756 8.8756 9.4905 9.4905 15.7267 15.7267 15.9033 15.9033 16.0337 16.0337 16.5902 16.5902 k = 0.2544 0.2544-0.0000 ( 2284 PWs) bands (ev): -29.2994 -29.2994 -10.7763 -10.7763 -10.6194 -10.6194 -10.5142 -10.5142 -10.2024 -10.2024 -10.1308 -10.1308 -9.3665 -9.3665 -9.3206 -9.3206 -8.8864 -8.8864 -7.9897 -7.9897 -5.5985 -5.5985 -4.8433 -4.8433 3.8864 3.8864 4.9426 4.9426 6.6605 6.6605 7.2240 7.2240 8.1039 8.1039 8.5372 8.5372 8.7415 8.7415 8.8661 8.8661 9.4648 9.4648 15.6835 15.6835 15.7831 15.7831 15.9661 15.9661 16.5600 16.5600 k = 0.2456 0.2456-0.0000 ( 2286 PWs) bands (ev): -29.2997 -29.2997 -10.7794 -10.7794 -10.6261 -10.6261 -10.5223 -10.5223 -10.2022 -10.2022 -10.1314 -10.1314 -9.3662 -9.3662 -9.3248 -9.3248 -8.8850 -8.8850 -8.0314 -8.0314 -5.5292 -5.5292 -4.8020 -4.8020 3.9201 3.9201 4.9213 4.9213 6.5584 6.5584 7.2884 7.2884 8.1295 8.1295 8.5545 8.5545 8.7623 8.7623 8.8589 8.8589 9.4392 9.4392 15.6183 15.6183 15.6806 15.6806 15.8988 15.8988 16.5298 16.5298 k = 0.2368 0.2368-0.0000 ( 2282 PWs) bands (ev): -29.3000 -29.3000 -10.7825 -10.7825 -10.6340 -10.6340 -10.5288 -10.5288 -10.2018 -10.2018 -10.1319 -10.1319 -9.3659 -9.3659 -9.3287 -9.3287 -8.8837 -8.8837 -8.0723 -8.0723 -5.4598 -5.4598 -4.7620 -4.7620 3.9540 3.9540 4.9006 4.9006 6.4553 6.4553 7.3550 7.3550 8.1568 8.1568 8.5720 8.5720 8.7824 8.7824 8.8537 8.8537 9.4139 9.4139 15.5042 15.5042 15.6243 15.6243 15.8319 15.8319 16.4996 16.5006 k = 0.2281 0.2281-0.0000 ( 2286 PWs) bands (ev): -29.3003 -29.3003 -10.7856 -10.7856 -10.6431 -10.6431 -10.5340 -10.5340 -10.2011 -10.2011 -10.1325 -10.1325 -9.3657 -9.3657 -9.3323 -9.3323 -8.8824 -8.8824 -8.1125 -8.1125 -5.3905 -5.3905 -4.7232 -4.7232 3.9879 3.9879 4.8804 4.8804 6.3516 6.3516 7.4238 7.4238 8.1857 8.1857 8.5896 8.5896 8.8016 8.8016 8.8505 8.8505 9.3889 9.3889 15.3755 15.3755 15.5806 15.5806 15.7656 15.7656 16.4694 16.4694 k = 0.2193 0.2193-0.0000 ( 2285 PWs) bands (ev): -29.3006 -29.3006 -10.7886 -10.7886 -10.6531 -10.6531 -10.5377 -10.5377 -10.2002 -10.2002 -10.1330 -10.1330 -9.3655 -9.3655 -9.3356 -9.3356 -8.8811 -8.8811 -8.1519 -8.1519 -5.3214 -5.3214 -4.6858 -4.6858 4.0217 4.0217 4.8609 4.8609 6.2479 6.2479 7.4946 7.4946 8.2161 8.2161 8.6071 8.6071 8.8195 8.8195 8.8494 8.8494 9.3644 9.3644 15.2438 15.2438 15.5386 15.5386 15.7000 15.7000 16.4395 16.4395 k = 0.2105 0.2105-0.0000 ( 2281 PWs) bands (ev): -29.3009 -29.3009 -10.7916 -10.7916 -10.6639 -10.6639 -10.5403 -10.5403 -10.1990 -10.1990 -10.1334 -10.1334 -9.3654 -9.3654 -9.3387 -9.3387 -8.8799 -8.8799 -8.1904 -8.1904 -5.2528 -5.2528 -4.6498 -4.6498 4.0553 4.0553 4.8420 4.8420 6.1446 6.1446 7.5673 7.5673 8.2479 8.2479 8.6246 8.6246 8.8342 8.8342 8.8523 8.8523 9.3403 9.3403 15.1114 15.1114 15.4968 15.4968 15.6353 15.6353 16.4098 16.4098 k = 0.2018 0.2018-0.0000 ( 2293 PWs) bands (ev): -29.3012 -29.3012 -10.7946 -10.7946 -10.6752 -10.6752 -10.5420 -10.5420 -10.1976 -10.1976 -10.1339 -10.1339 -9.3653 -9.3653 -9.3415 -9.3415 -8.8787 -8.8787 -8.2280 -8.2280 -5.1848 -5.1848 -4.6151 -4.6151 4.0886 4.0886 4.8239 4.8239 6.0420 6.0420 7.6417 7.6417 8.2809 8.2809 8.6420 8.6420 8.8416 8.8416 8.8629 8.8629 9.3167 9.3167 14.9790 14.9790 15.4548 15.4548 15.5717 15.5717 16.3802 16.3802 k = 0.1930 0.1930-0.0000 ( 2285 PWs) bands (ev): -29.3015 -29.3015 -10.7975 -10.7975 -10.6867 -10.6867 -10.5429 -10.5429 -10.1959 -10.1959 -10.1343 -10.1343 -9.3652 -9.3652 -9.3441 -9.3441 -8.8776 -8.8776 -8.2647 -8.2647 -5.1175 -5.1175 -4.5819 -4.5819 4.1215 4.1215 4.8066 4.8066 5.9407 5.9407 7.7176 7.7176 8.3151 8.3151 8.6593 8.6593 8.8449 8.8449 8.8778 8.8778 9.2939 9.2939 14.8471 14.8471 15.4128 15.4128 15.5094 15.5094 16.3509 16.3509 k = 0.1842 0.1842-0.0000 ( 2281 PWs) bands (ev): -29.3017 -29.3017 -10.8005 -10.8005 -10.6984 -10.6984 -10.5431 -10.5431 -10.1939 -10.1939 -10.1347 -10.1347 -9.3652 -9.3652 -9.3464 -9.3464 -8.8764 -8.8764 -8.3004 -8.3004 -5.0512 -5.0512 -4.5502 -4.5502 4.1539 4.1539 4.7900 4.7900 5.8409 5.8409 7.7948 7.7948 8.3503 8.3503 8.6763 8.6763 8.8477 8.8477 8.8933 8.8933 9.2717 9.2717 14.7162 14.7162 15.3704 15.3704 15.4484 15.4484 16.3209 16.3211 k = 0.1754 0.1754-0.0000 ( 2281 PWs) bands (ev): -29.3020 -29.3020 -10.8034 -10.8034 -10.7101 -10.7101 -10.5428 -10.5428 -10.1916 -10.1916 -10.1350 -10.1350 -9.3652 -9.3652 -9.3486 -9.3486 -8.8754 -8.8754 -8.3352 -8.3352 -4.9860 -4.9860 -4.5199 -4.5199 4.1857 4.1857 4.7743 4.7743 5.7431 5.7431 7.8731 7.8731 8.3862 8.3862 8.6931 8.6931 8.8508 8.8508 8.9084 8.9084 9.2504 9.2504 14.5865 14.5865 15.3279 15.3279 15.3890 15.3890 16.2882 16.2882 k = 0.1667 0.1667-0.0000 ( 2277 PWs) bands (ev): -29.3023 -29.3023 -10.8064 -10.8064 -10.7216 -10.7216 -10.5420 -10.5420 -10.1891 -10.1891 -10.1353 -10.1353 -9.3653 -9.3653 -9.3507 -9.3507 -8.8744 -8.8744 -8.3688 -8.3688 -4.9222 -4.9222 -4.4911 -4.4911 4.2166 4.2166 4.7595 4.7595 5.6477 5.6477 7.9523 7.9523 8.4228 8.4228 8.7095 8.7095 8.8542 8.8542 8.9229 8.9229 9.2299 9.2299 14.4584 14.4584 15.2853 15.2853 15.3314 15.3314 16.2534 16.2534 k = 0.1579 0.1579-0.0000 ( 2281 PWs) bands (ev): -29.3025 -29.3025 -10.8093 -10.8093 -10.7328 -10.7328 -10.5410 -10.5410 -10.1864 -10.1864 -10.1357 -10.1357 -9.3654 -9.3654 -9.3525 -9.3525 -8.8734 -8.8734 -8.4014 -8.4014 -4.8599 -4.8599 -4.4638 -4.4638 4.2466 4.2466 4.7457 4.7457 5.5549 5.5549 8.0319 8.0319 8.4598 8.4598 8.7256 8.7256 8.8580 8.8580 8.9367 8.9367 9.2104 9.2104 14.3324 14.3324 15.2427 15.2427 15.2755 15.2755 16.2180 16.2180 k = 0.1491 0.1491-0.0000 ( 2277 PWs) bands (ev): -29.3028 -29.3028 -10.8122 -10.8122 -10.7437 -10.7437 -10.5396 -10.5396 -10.1835 -10.1835 -10.1359 -10.1359 -9.3655 -9.3655 -9.3542 -9.3542 -8.8725 -8.8725 -8.4327 -8.4327 -4.7993 -4.7993 -4.4379 -4.4379 4.2754 4.2754 4.7328 4.7328 5.4653 5.4653 8.1117 8.1117 8.4970 8.4970 8.7412 8.7412 8.8619 8.8619 8.9497 8.9497 9.1919 9.1919 14.2086 14.2086 15.2004 15.2004 15.2217 15.2217 16.1826 16.1826 k = 0.1404 0.1404-0.0000 ( 2277 PWs) bands (ev): -29.3030 -29.3030 -10.8150 -10.8150 -10.7543 -10.7543 -10.5381 -10.5381 -10.1803 -10.1803 -10.1362 -10.1362 -9.3656 -9.3656 -9.3558 -9.3558 -8.8716 -8.8716 -8.4629 -8.4629 -4.7407 -4.7407 -4.4136 -4.4136 4.3028 4.3028 4.7211 4.7211 5.3791 5.3791 8.1914 8.1914 8.5342 8.5342 8.7563 8.7563 8.8660 8.8660 8.9620 8.9620 9.1746 9.1746 14.0875 14.0875 15.1583 15.1583 15.1701 15.1701 16.1471 16.1471 k = 0.1316 0.1316-0.0000 ( 2277 PWs) bands (ev): -29.3032 -29.3032 -10.8178 -10.8178 -10.7643 -10.7643 -10.5364 -10.5364 -10.1770 -10.1770 -10.1364 -10.1364 -9.3657 -9.3657 -9.3573 -9.3573 -8.8708 -8.8708 -8.4917 -8.4917 -4.6843 -4.6843 -4.3908 -4.3908 4.3285 4.3285 4.7106 4.7106 5.2966 5.2966 8.2704 8.2704 8.5713 8.5713 8.7708 8.7708 8.8700 8.8700 8.9734 8.9734 9.1585 9.1585 13.9694 13.9694 15.1166 15.1166 15.1210 15.1210 16.1117 16.1117 k = 0.1228 0.1228-0.0000 ( 2269 PWs) bands (ev): -29.3034 -29.3034 -10.8205 -10.8205 -10.7739 -10.7739 -10.5346 -10.5346 -10.1735 -10.1735 -10.1365 -10.1365 -9.3659 -9.3659 -9.3586 -9.3586 -8.8701 -8.8701 -8.5192 -8.5192 -4.6301 -4.6301 -4.3696 -4.3696 4.3523 4.3523 4.7013 4.7013 5.2184 5.2184 8.3484 8.3484 8.6081 8.6081 8.7847 8.7847 8.8738 8.8738 8.9841 8.9841 9.1437 9.1437 13.8549 13.8549 15.0734 15.0734 15.0767 15.0767 16.0762 16.0762 k = 0.1140 0.1140-0.0000 ( 2283 PWs) bands (ev): -29.3036 -29.3036 -10.8231 -10.8231 -10.7830 -10.7830 -10.5328 -10.5328 -10.1699 -10.1699 -10.1368 -10.1368 -9.3660 -9.3660 -9.3598 -9.3598 -8.8694 -8.8694 -8.5452 -8.5452 -4.5786 -4.5786 -4.3498 -4.3498 4.3737 4.3737 4.6935 4.6935 5.1446 5.1446 8.4246 8.4246 8.6443 8.6443 8.7979 8.7979 8.8774 8.8774 8.9939 8.9939 9.1303 9.1303 13.7442 13.7442 15.0294 15.0294 15.0366 15.0366 16.0404 16.0404 k = 0.1053 0.1053-0.0000 ( 2289 PWs) bands (ev): -29.3038 -29.3038 -10.8257 -10.8257 -10.7915 -10.7915 -10.5310 -10.5310 -10.1663 -10.1663 -10.1370 -10.1370 -9.3662 -9.3662 -9.3609 -9.3609 -8.8687 -8.8687 -8.5698 -8.5698 -4.5298 -4.5298 -4.3315 -4.3315 4.3926 4.3926 4.6873 4.6873 5.0757 5.0757 8.4985 8.4985 8.6800 8.6800 8.8104 8.8104 8.8806 8.8806 9.0029 9.0029 9.1184 9.1184 13.6379 13.6379 14.9878 14.9878 14.9981 14.9981 16.0038 16.0038 k = 0.0965 0.0965-0.0000 ( 2285 PWs) bands (ev): -29.3040 -29.3040 -10.8281 -10.8281 -10.7993 -10.7993 -10.5291 -10.5291 -10.1627 -10.1627 -10.1371 -10.1371 -9.3663 -9.3663 -9.3619 -9.3619 -8.8681 -8.8681 -8.5927 -8.5927 -4.4840 -4.4840 -4.3147 -4.3147 4.4085 4.4085 4.6827 4.6827 5.0121 5.0121 8.5690 8.5690 8.7152 8.7152 8.8221 8.8221 8.8834 8.8834 9.0110 9.0110 9.1080 9.1080 13.5366 13.5366 14.9490 14.9490 14.9611 14.9611 15.9664 15.9664 k = 0.0877 0.0877-0.0000 ( 2287 PWs) bands (ev): -29.3042 -29.3042 -10.8303 -10.8303 -10.8066 -10.8066 -10.5274 -10.5274 -10.1591 -10.1591 -10.1372 -10.1372 -9.3664 -9.3664 -9.3629 -9.3629 -8.8676 -8.8676 -8.6140 -8.6140 -4.4414 -4.4414 -4.2994 -4.2994 4.4211 4.4211 4.6800 4.6800 4.9541 4.9541 8.6349 8.6349 8.7504 8.7504 8.8329 8.8329 8.8857 8.8857 9.0183 9.0183 9.0991 9.0991 13.4408 13.4408 14.9132 14.9132 14.9259 14.9259 15.9280 15.9280 k = 0.0789 0.0789-0.0000 ( 2281 PWs) bands (ev): -29.3043 -29.3043 -10.8324 -10.8324 -10.8132 -10.8132 -10.5256 -10.5256 -10.1555 -10.1555 -10.1373 -10.1373 -9.3666 -9.3666 -9.3637 -9.3637 -8.8671 -8.8671 -8.6336 -8.6336 -4.4022 -4.4022 -4.2856 -4.2856 4.4302 4.4302 4.6790 4.6790 4.9020 4.9020 8.6940 8.6940 8.7867 8.7867 8.8429 8.8429 8.8876 8.8876 9.0247 9.0247 9.0919 9.0919 13.3510 13.3510 14.8805 14.8805 14.8929 14.8929 15.8892 15.8892 k = 0.0702 0.0702-0.0000 ( 2291 PWs) bands (ev): -29.3045 -29.3045 -10.8344 -10.8344 -10.8192 -10.8192 -10.5241 -10.5241 -10.1522 -10.1522 -10.1374 -10.1374 -9.3667 -9.3667 -9.3645 -9.3645 -8.8667 -8.8667 -8.6513 -8.6513 -4.3665 -4.3665 -4.2733 -4.2733 4.4358 4.4358 4.6797 4.6797 4.8560 4.8560 8.7438 8.7438 8.8256 8.8256 8.8519 8.8519 8.8891 8.8891 9.0302 9.0302 9.0863 9.0863 13.2681 13.2681 14.8509 14.8509 14.8622 14.8622 15.8506 15.8506 k = 0.0614 0.0614-0.0000 ( 2285 PWs) bands (ev): -29.3046 -29.3046 -10.8361 -10.8361 -10.8245 -10.8245 -10.5226 -10.5226 -10.1491 -10.1491 -10.1374 -10.1374 -9.3668 -9.3668 -9.3651 -9.3651 -8.8663 -8.8663 -8.6672 -8.6672 -4.3346 -4.3346 -4.2625 -4.2625 4.4381 4.4381 4.6817 4.6817 4.8164 4.8164 8.7829 8.7829 8.8597 8.8597 8.8671 8.8671 8.8905 8.8905 9.0350 9.0350 9.0821 9.0821 13.1926 13.1926 14.8246 14.8246 14.8344 14.8344 15.8135 15.8135 k = 0.0526 0.0526-0.0000 ( 2289 PWs) bands (ev): -29.3047 -29.3047 -10.8377 -10.8377 -10.8292 -10.8292 -10.5214 -10.5214 -10.1462 -10.1462 -10.1375 -10.1375 -9.3670 -9.3670 -9.3657 -9.3657 -8.8660 -8.8660 -8.6810 -8.6810 -4.3066 -4.3066 -4.2531 -4.2531 4.4376 4.4376 4.6848 4.6848 4.7832 4.7832 8.8129 8.8129 8.8666 8.8666 8.8897 8.8897 8.9107 8.9107 9.0393 9.0393 9.0794 9.0794 13.1252 13.1252 14.8016 14.8016 14.8095 14.8095 15.7791 15.7791 k = 0.0439 0.0439-0.0000 ( 2297 PWs) bands (ev): -29.3048 -29.3048 -10.8390 -10.8390 -10.8331 -10.8331 -10.5203 -10.5203 -10.1437 -10.1437 -10.1376 -10.1376 -9.3671 -9.3671 -9.3662 -9.3662 -8.8658 -8.8658 -8.6929 -8.6929 -4.2826 -4.2826 -4.2451 -4.2451 4.4350 4.4350 4.6883 4.6883 4.7562 4.7562 8.8361 8.8361 8.8723 8.8723 8.8910 8.8910 8.9485 8.9485 9.0437 9.0437 9.0779 9.0779 13.0667 13.0667 14.7819 14.7819 14.7879 14.7879 15.7485 15.7485 k = 0.0351 0.0351-0.0000 ( 2303 PWs) bands (ev): -29.3049 -29.3049 -10.8401 -10.8401 -10.8363 -10.8363 -10.5194 -10.5194 -10.1416 -10.1416 -10.1376 -10.1376 -9.3671 -9.3671 -9.3666 -9.3666 -8.8656 -8.8656 -8.7027 -8.7027 -4.2628 -4.2628 -4.2387 -4.2387 4.4311 4.4311 4.6919 4.6919 4.7350 4.7350 8.8540 8.8540 8.8767 8.8767 8.8921 8.8921 8.9798 8.9798 9.0492 9.0492 9.0771 9.0771 13.0177 13.0177 14.7657 14.7657 14.7699 14.7699 15.7224 15.7224 k = 0.0263 0.0263-0.0000 ( 2307 PWs) bands (ev): -29.3049 -29.3049 -10.8410 -10.8410 -10.8388 -10.8388 -10.5186 -10.5186 -10.1399 -10.1399 -10.1376 -10.1376 -9.3672 -9.3672 -9.3669 -9.3669 -8.8654 -8.8654 -8.7104 -8.7104 -4.2473 -4.2473 -4.2336 -4.2336 4.4269 4.4269 4.6952 4.6952 4.7192 4.7192 8.8673 8.8673 8.8796 8.8796 8.8936 8.8936 9.0017 9.0017 9.0570 9.0570 9.0770 9.0770 12.9788 12.9788 14.7531 14.7531 14.7556 14.7556 15.7016 15.7016 k = 0.0175 0.0175-0.0000 ( 2305 PWs) bands (ev): -29.3050 -29.3050 -10.8416 -10.8416 -10.8406 -10.8406 -10.5181 -10.5181 -10.1387 -10.1387 -10.1376 -10.1376 -9.3673 -9.3673 -9.3671 -9.3671 -8.8653 -8.8653 -8.7159 -8.7159 -4.2361 -4.2361 -4.2300 -4.2300 4.4232 4.4232 4.6977 4.6977 4.7083 4.7083 8.8761 8.8761 8.8813 8.8813 8.8956 8.8956 9.0139 9.0139 9.0665 9.0665 9.0770 9.0770 12.9507 12.9507 14.7441 14.7441 14.7452 14.7452 15.6864 15.6864 k = 0.0088 0.0088-0.0000 ( 2301 PWs) bands (ev): -29.3050 -29.3050 -10.8420 -10.8420 -10.8417 -10.8417 -10.5178 -10.5178 -10.1379 -10.1379 -10.1376 -10.1376 -9.3673 -9.3673 -9.3673 -9.3673 -8.8652 -8.8652 -8.7192 -8.7192 -4.2294 -4.2294 -4.2279 -4.2279 4.4207 4.4207 4.6994 4.6994 4.7020 4.7020 8.8809 8.8809 8.8821 8.8821 8.8975 8.8975 9.0194 9.0194 9.0743 9.0743 9.0772 9.0772 12.9336 12.9336 14.7387 14.7387 14.7390 14.7390 15.6772 15.6772 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -29.3050 -29.3050 -10.8421 -10.8421 -10.8421 -10.8421 -10.5176 -10.5176 -10.1376 -10.1376 -10.1376 -10.1376 -9.3673 -9.3673 -9.3673 -9.3673 -8.8652 -8.8652 -8.7203 -8.7203 -4.2272 -4.2272 -4.2272 -4.2272 4.4198 4.4198 4.6999 4.6999 4.6999 4.6999 8.8823 8.8823 8.8823 8.8823 8.8983 8.8983 9.0209 9.0209 9.0772 9.0772 9.0772 9.0772 12.9279 12.9279 14.7369 14.7369 14.7369 14.7369 15.6741 15.6741 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -29.3050 -29.3050 -10.8421 -10.8421 -10.8421 -10.8421 -10.5176 -10.5176 -10.1376 -10.1376 -10.1376 -10.1376 -9.3673 -9.3673 -9.3673 -9.3673 -8.8652 -8.8652 -8.7203 -8.7203 -4.2272 -4.2272 -4.2272 -4.2272 4.4198 4.4198 4.6999 4.6999 4.6999 4.6999 8.8823 8.8823 8.8823 8.8823 8.8983 8.8983 9.0209 9.0209 9.0772 9.0772 9.0772 9.0772 12.9279 12.9279 14.7369 14.7369 14.7369 14.7369 15.6741 15.6741 k = 0.0071 0.0071 0.0071 ( 2301 PWs) bands (ev): -29.3050 -29.3050 -10.8418 -10.8418 -10.8418 -10.8418 -10.5178 -10.5178 -10.1379 -10.1379 -10.1376 -10.1376 -9.3673 -9.3673 -9.3673 -9.3673 -8.8652 -8.8652 -8.7192 -8.7192 -4.2287 -4.2287 -4.2286 -4.2286 4.4207 4.4207 4.6992 4.6992 4.7022 4.7022 8.8808 8.8808 8.8821 8.8821 8.8975 8.8975 9.0194 9.0194 9.0742 9.0742 9.0773 9.0773 12.9336 12.9336 14.7388 14.7388 14.7389 14.7389 15.6772 15.6772 k = 0.0143 0.0143 0.0143 ( 2304 PWs) bands (ev): -29.3050 -29.3050 -10.8411 -10.8411 -10.8411 -10.8411 -10.5181 -10.5181 -10.1387 -10.1387 -10.1376 -10.1376 -9.3672 -9.3672 -9.3672 -9.3672 -8.8653 -8.8653 -8.7159 -8.7159 -4.2331 -4.2331 -4.2330 -4.2330 4.4231 4.4231 4.6972 4.6972 4.7089 4.7089 8.8763 8.8763 8.8807 8.8807 8.8960 8.8960 9.0138 9.0138 9.0664 9.0664 9.0774 9.0774 12.9506 12.9506 14.7446 14.7446 14.7447 14.7447 15.6863 15.6863 k = 0.0214 0.0214 0.0214 ( 2310 PWs) bands (ev): -29.3049 -29.3049 -10.8399 -10.8399 -10.8399 -10.8399 -10.5187 -10.5187 -10.1400 -10.1400 -10.1376 -10.1376 -9.3672 -9.3672 -9.3670 -9.3670 -8.8654 -8.8654 -8.7104 -8.7104 -4.2406 -4.2406 -4.2402 -4.2402 4.4265 4.4265 4.6945 4.6945 4.7201 4.7201 8.8687 8.8687 8.8760 8.8760 8.8959 8.8959 9.0008 9.0008 9.0575 9.0575 9.0777 9.0777 12.9785 12.9785 14.7542 14.7542 14.7543 14.7543 15.7013 15.7013 k = 0.0286 0.0286 0.0286 ( 2307 PWs) bands (ev): -29.3049 -29.3049 -10.8383 -10.8383 -10.8382 -10.8382 -10.5194 -10.5194 -10.1417 -10.1417 -10.1376 -10.1376 -9.3670 -9.3670 -9.3667 -9.3667 -8.8656 -8.8656 -8.7028 -8.7028 -4.2510 -4.2510 -4.2503 -4.2503 4.4297 4.4297 4.6924 4.6924 4.7358 4.7358 8.8581 8.8581 8.8668 8.8668 8.8982 8.8982 8.9771 8.9771 9.0513 9.0513 9.0782 9.0782 13.0171 13.0171 14.7674 14.7674 14.7677 14.7677 15.7218 15.7218 k = 0.0357 0.0357 0.0357 ( 2301 PWs) bands (ev): -29.3048 -29.3048 -10.8361 -10.8361 -10.8360 -10.8360 -10.5203 -10.5203 -10.1438 -10.1438 -10.1375 -10.1375 -9.3669 -9.3669 -9.3664 -9.3664 -8.8658 -8.8658 -8.6931 -8.6931 -4.2642 -4.2642 -4.2632 -4.2632 4.4312 4.4312 4.6923 4.6923 4.7558 4.7558 8.8443 8.8443 8.8536 8.8536 8.9023 8.9023 8.9427 8.9427 9.0486 9.0486 9.0792 9.0792 13.0656 13.0656 14.7843 14.7843 14.7847 14.7847 15.7471 15.7471 k = 0.0429 0.0429 0.0429 ( 2292 PWs) bands (ev): -29.3047 -29.3047 -10.8335 -10.8335 -10.8333 -10.8333 -10.5214 -10.5214 -10.1463 -10.1463 -10.1375 -10.1375 -9.3667 -9.3667 -9.3660 -9.3660 -8.8660 -8.8660 -8.6813 -8.6813 -4.2804 -4.2804 -4.2789 -4.2789 4.4289 4.4289 4.6963 4.6963 4.7802 4.7802 8.8275 8.8275 8.8370 8.8370 8.8996 8.8996 8.9078 8.9078 9.0481 9.0481 9.0806 9.0806 13.1235 13.1235 14.8047 14.8047 14.8052 14.8052 15.7764 15.7764 k = 0.0500 0.0500 0.0500 ( 2289 PWs) bands (ev): -29.3046 -29.3046 -10.8304 -10.8304 -10.8301 -10.8301 -10.5227 -10.5227 -10.1492 -10.1492 -10.1374 -10.1374 -9.3665 -9.3665 -9.3656 -9.3656 -8.8664 -8.8664 -8.6675 -8.6675 -4.2993 -4.2993 -4.2973 -4.2973 4.4209 4.4209 4.7064 4.7064 4.8090 4.8090 8.8077 8.8077 8.8170 8.8170 8.8494 8.8494 8.9145 8.9145 9.0492 9.0492 9.0826 9.0826 13.1901 13.1901 14.8283 14.8283 14.8290 14.8290 15.8082 15.8082 k = 0.0571 0.0571 0.0571 ( 2289 PWs) bands (ev): -29.3045 -29.3045 -10.8268 -10.8268 -10.8264 -10.8264 -10.5242 -10.5242 -10.1524 -10.1524 -10.1374 -10.1374 -9.3662 -9.3662 -9.3651 -9.3651 -8.8667 -8.8667 -8.6519 -8.6519 -4.3209 -4.3209 -4.3183 -4.3183 4.4060 4.4060 4.7238 4.7238 4.8419 4.8419 8.7850 8.7850 8.7888 8.7888 8.7983 8.7983 8.9223 8.9223 9.0515 9.0515 9.0852 9.0852 13.2645 13.2645 14.8549 14.8549 14.8558 14.8558 15.8409 15.8409 k = 0.0643 0.0643 0.0643 ( 2283 PWs) bands (ev): -29.3043 -29.3043 -10.8227 -10.8227 -10.8222 -10.8222 -10.5258 -10.5258 -10.1558 -10.1558 -10.1373 -10.1373 -9.3659 -9.3659 -9.3645 -9.3645 -8.8672 -8.8672 -8.6343 -8.6343 -4.3453 -4.3453 -4.3420 -4.3420 4.3840 4.3840 4.7488 4.7488 4.8789 4.8789 8.7301 8.7301 8.7595 8.7595 8.7699 8.7699 8.9312 8.9312 9.0547 9.0547 9.0885 9.0885 13.3460 13.3460 14.8843 14.8843 14.8855 14.8855 15.8726 15.8726 k = 0.0714 0.0714 0.0714 ( 2283 PWs) bands (ev): -29.3042 -29.3042 -10.8182 -10.8182 -10.8176 -10.8176 -10.5276 -10.5276 -10.1594 -10.1594 -10.1372 -10.1372 -9.3655 -9.3655 -9.3639 -9.3639 -8.8677 -8.8677 -8.6151 -8.6151 -4.3722 -4.3722 -4.3681 -4.3681 4.3553 4.3553 4.7809 4.7809 4.9200 4.9200 8.6645 8.6645 8.7314 8.7314 8.7415 8.7415 8.9412 8.9412 9.0587 9.0587 9.0924 9.0924 13.4340 13.4340 14.9162 14.9162 14.9178 14.9178 15.9018 15.9018 k = 0.0786 0.0786 0.0786 ( 2277 PWs) bands (ev): -29.3040 -29.3040 -10.8132 -10.8132 -10.8124 -10.8124 -10.5295 -10.5295 -10.1632 -10.1632 -10.1372 -10.1372 -9.3651 -9.3651 -9.3633 -9.3633 -8.8683 -8.8683 -8.5941 -8.5941 -4.4015 -4.4015 -4.3968 -4.3968 4.3206 4.3206 4.8196 4.8196 4.9651 4.9651 8.5953 8.5953 8.7009 8.7009 8.7108 8.7108 8.9521 8.9521 9.0635 9.0635 9.0970 9.0970 13.5276 13.5276 14.9506 14.9506 14.9524 14.9524 15.9280 15.9280 k = 0.0857 0.0857 0.0857 ( 2277 PWs) bands (ev): -29.3038 -29.3038 -10.8077 -10.8077 -10.8068 -10.8068 -10.5315 -10.5315 -10.1671 -10.1671 -10.1372 -10.1372 -9.3646 -9.3646 -9.3627 -9.3627 -8.8689 -8.8689 -8.5716 -8.5716 -4.4333 -4.4333 -4.4277 -4.4277 4.2806 4.2806 4.8640 4.8640 5.0140 5.0140 8.5233 8.5233 8.6682 8.6682 8.6780 8.6780 8.9641 8.9641 9.0691 9.0691 9.1023 9.1023 13.6263 13.6263 14.9870 14.9870 14.9892 14.9892 15.9513 15.9513 k = 0.0929 0.0929 0.0929 ( 2271 PWs) bands (ev): -29.3036 -29.3036 -10.8018 -10.8018 -10.8007 -10.8007 -10.5335 -10.5335 -10.1710 -10.1710 -10.1371 -10.1371 -9.3641 -9.3641 -9.3619 -9.3619 -8.8696 -8.8696 -8.5477 -8.5477 -4.4674 -4.4674 -4.4609 -4.4609 4.2361 4.2361 4.9136 4.9136 5.0666 5.0666 8.4491 8.4491 8.6335 8.6335 8.6433 8.6433 8.9771 8.9771 9.0754 9.0754 9.1083 9.1083 13.7293 13.7293 15.0253 15.0253 15.0279 15.0279 15.9724 15.9724 k = 0.1000 0.1000 0.1000 ( 2259 PWs) bands (ev): -29.3034 -29.3034 -10.7954 -10.7954 -10.7942 -10.7942 -10.5356 -10.5356 -10.1749 -10.1749 -10.1370 -10.1370 -9.3635 -9.3635 -9.3612 -9.3612 -8.8703 -8.8703 -8.5223 -8.5223 -4.5037 -4.5037 -4.4963 -4.4963 4.1873 4.1873 4.9679 4.9679 5.1228 5.1228 8.3734 8.3734 8.5970 8.5970 8.6069 8.6069 8.9910 8.9910 9.0825 9.0825 9.1150 9.1150 13.8362 13.8362 15.0652 15.0652 15.0682 15.0682 15.9920 15.9920 k = 0.1071 0.1071 0.1071 ( 2265 PWs) bands (ev): -29.3032 -29.3032 -10.7886 -10.7886 -10.7871 -10.7871 -10.5378 -10.5378 -10.1788 -10.1788 -10.1370 -10.1370 -9.3629 -9.3629 -9.3604 -9.3604 -8.8711 -8.8711 -8.4957 -8.4957 -4.5421 -4.5421 -4.5337 -4.5337 4.1348 4.1348 5.0265 5.0265 5.1825 5.1825 8.2968 8.2968 8.5590 8.5590 8.5689 8.5689 9.0058 9.0058 9.0902 9.0902 9.1223 9.1223 13.9464 13.9464 15.1062 15.1062 15.1097 15.1097 16.0107 16.0107 k = 0.1143 0.1143 0.1143 ( 2277 PWs) bands (ev): -29.3030 -29.3030 -10.7813 -10.7813 -10.7796 -10.7796 -10.5400 -10.5400 -10.1827 -10.1827 -10.1371 -10.1371 -9.3621 -9.3621 -9.3596 -9.3596 -8.8720 -8.8720 -8.4678 -8.4678 -4.5825 -4.5825 -4.5731 -4.5731 4.0789 4.0789 5.0892 5.0892 5.2456 5.2456 8.2196 8.2196 8.5196 8.5196 8.5296 8.5296 9.0216 9.0216 9.0985 9.0985 9.1303 9.1303 14.0593 14.0593 15.1484 15.1484 15.1523 15.1523 16.0289 16.0289 k = 0.1214 0.1214 0.1214 ( 2277 PWs) bands (ev): -29.3027 -29.3027 -10.7736 -10.7736 -10.7716 -10.7716 -10.5421 -10.5421 -10.1865 -10.1865 -10.1371 -10.1371 -9.3614 -9.3614 -9.3587 -9.3587 -8.8729 -8.8729 -8.4389 -8.4389 -4.6247 -4.6247 -4.6144 -4.6144 4.0199 4.0199 5.1556 5.1556 5.3119 5.3119 8.1424 8.1424 8.4791 8.4791 8.4892 8.4892 9.0382 9.0382 9.1076 9.1076 9.1390 9.1390 14.1744 14.1744 15.1915 15.1915 15.1960 15.1960 16.0470 16.0470 k = 0.1286 0.1286 0.1286 ( 2277 PWs) bands (ev): -29.3025 -29.3025 -10.7654 -10.7654 -10.7632 -10.7632 -10.5441 -10.5441 -10.1901 -10.1901 -10.1372 -10.1372 -9.3605 -9.3605 -9.3578 -9.3578 -8.8739 -8.8739 -8.4089 -8.4089 -4.6687 -4.6687 -4.6574 -4.6574 3.9579 3.9579 5.2255 5.2255 5.3812 5.3812 8.0655 8.0655 8.4377 8.4377 8.4479 8.4479 9.0557 9.0557 9.1173 9.1173 9.1483 9.1483 14.2914 14.2914 15.2353 15.2353 15.2402 15.2402 16.0652 16.0652 k = 0.1357 0.1357 0.1357 ( 2289 PWs) bands (ev): -29.3022 -29.3022 -10.7569 -10.7569 -10.7543 -10.7543 -10.5460 -10.5460 -10.1937 -10.1937 -10.1373 -10.1373 -9.3595 -9.3595 -9.3568 -9.3568 -8.8749 -8.8749 -8.3781 -8.3781 -4.7145 -4.7145 -4.7021 -4.7021 3.8932 3.8932 5.2986 5.2986 5.4535 5.4535 7.9894 7.9894 8.3955 8.3955 8.4059 8.4059 9.0740 9.0740 9.1277 9.1277 9.1582 9.1582 14.4097 14.4097 15.2793 15.2793 15.2848 15.2848 16.0838 16.0838 k = 0.1429 0.1429 0.1429 ( 2289 PWs) bands (ev): -29.3019 -29.3019 -10.7480 -10.7480 -10.7449 -10.7449 -10.5477 -10.5477 -10.1971 -10.1971 -10.1374 -10.1374 -9.3585 -9.3585 -9.3558 -9.3558 -8.8760 -8.8760 -8.3463 -8.3463 -4.7617 -4.7617 -4.7483 -4.7483 3.8260 3.8260 5.3749 5.3749 5.5286 5.5286 7.9144 7.9144 8.3528 8.3528 8.3634 8.3634 9.0932 9.0932 9.1387 9.1387 9.1689 9.1689 14.5289 14.5289 15.3237 15.3237 15.3297 15.3297 16.1028 16.1028 k = 0.1500 0.1500 0.1500 ( 2289 PWs) bands (ev): -29.3016 -29.3016 -10.7388 -10.7388 -10.7351 -10.7351 -10.5492 -10.5492 -10.2004 -10.2004 -10.1375 -10.1375 -9.3573 -9.3573 -9.3547 -9.3547 -8.8772 -8.8772 -8.3138 -8.3138 -4.8104 -4.8104 -4.7959 -4.7959 3.7564 3.7564 5.4540 5.4540 5.6063 5.6063 7.8408 7.8408 8.3098 8.3098 8.3206 8.3206 9.1130 9.1130 9.1504 9.1504 9.1801 9.1801 14.6485 14.6485 15.3682 15.3682 15.3747 15.3747 16.1227 16.1227 k = 0.1571 0.1571 0.1571 ( 2289 PWs) bands (ev): -29.3013 -29.3013 -10.7292 -10.7292 -10.7249 -10.7249 -10.5505 -10.5505 -10.2035 -10.2035 -10.1377 -10.1377 -9.3561 -9.3561 -9.3535 -9.3535 -8.8783 -8.8783 -8.2806 -8.2806 -4.8605 -4.8605 -4.8449 -4.8449 3.6847 3.6847 5.5359 5.5359 5.6865 5.6865 7.7688 7.7688 8.2666 8.2666 8.2776 8.2776 9.1337 9.1337 9.1628 9.1628 9.1921 9.1921 14.7678 14.7678 15.4126 15.4126 15.4197 15.4197 16.1435 16.1435 k = 0.1643 0.1643 0.1643 ( 2283 PWs) bands (ev): -29.3010 -29.3010 -10.7194 -10.7194 -10.7143 -10.7143 -10.5514 -10.5514 -10.2064 -10.2064 -10.1378 -10.1378 -9.3547 -9.3547 -9.3523 -9.3523 -8.8796 -8.8796 -8.2468 -8.2468 -4.9118 -4.9118 -4.8952 -4.8952 3.6109 3.6109 5.6202 5.6202 5.7691 5.7691 7.6987 7.6987 8.2235 8.2235 8.2347 8.2347 9.1550 9.1550 9.1759 9.1759 9.2046 9.2046 14.8864 14.8864 15.4568 15.4568 15.4644 15.4644 16.1656 16.1656 k = 0.1714 0.1714 0.1714 ( 2286 PWs) bands (ev): -29.3007 -29.3007 -10.7094 -10.7094 -10.7033 -10.7033 -10.5519 -10.5519 -10.2093 -10.2093 -10.1380 -10.1380 -9.3532 -9.3532 -9.3509 -9.3509 -8.8808 -8.8808 -8.2124 -8.2124 -4.9642 -4.9642 -4.9465 -4.9465 3.5352 3.5352 5.7068 5.7068 5.8537 5.8537 7.6308 7.6308 8.1806 8.1806 8.1920 8.1920 9.1768 9.1768 9.1897 9.1897 9.2179 9.2179 15.0035 15.0035 15.5006 15.5006 15.5087 15.5087 16.1895 16.1895 k = 0.1786 0.1786 0.1786 ( 2286 PWs) bands (ev): -29.3004 -29.3004 -10.6992 -10.6992 -10.6918 -10.6918 -10.5519 -10.5519 -10.2120 -10.2120 -10.1382 -10.1382 -9.3516 -9.3516 -9.3494 -9.3494 -8.8821 -8.8821 -8.1775 -8.1775 -5.0177 -5.0177 -4.9989 -4.9989 3.4578 3.4578 5.7955 5.7955 5.9403 5.9403 7.5651 7.5651 8.1380 8.1380 8.1497 8.1497 9.1986 9.1986 9.2048 9.2048 9.2317 9.2317 15.1182 15.1182 15.5438 15.5438 15.5525 15.5525 16.2157 16.2157 k = 0.1857 0.1857 0.1857 ( 2286 PWs) bands (ev): -29.3001 -29.3001 -10.6890 -10.6890 -10.6800 -10.6800 -10.5513 -10.5513 -10.2146 -10.2146 -10.1384 -10.1384 -9.3499 -9.3499 -9.3479 -9.3479 -8.8835 -8.8835 -8.1422 -8.1422 -5.0721 -5.0721 -5.0523 -5.0523 3.3788 3.3788 5.8861 5.8861 6.0286 6.0286 7.5020 7.5020 8.0961 8.0961 8.1079 8.1079 9.2172 9.2172 9.2244 9.2244 9.2462 9.2462 15.2294 15.2294 15.5865 15.5865 15.5957 15.5957 16.2451 16.2451 k = 0.1929 0.1929 0.1929 ( 2274 PWs) bands (ev): -29.2998 -29.2998 -10.6790 -10.6790 -10.6679 -10.6679 -10.5500 -10.5500 -10.2169 -10.2169 -10.1387 -10.1387 -9.3480 -9.3480 -9.3461 -9.3461 -8.8848 -8.8848 -8.1065 -8.1065 -5.1273 -5.1273 -5.1065 -5.1065 3.2982 3.2982 5.9784 5.9784 6.1185 6.1185 7.4415 7.4415 8.0549 8.0549 8.0670 8.0670 9.2334 9.2334 9.2477 9.2477 9.2613 9.2613 15.3358 15.3358 15.6284 15.6284 15.6381 15.6381 16.2790 16.2790 k = 0.2000 0.2000 0.2000 ( 2274 PWs) bands (ev): -29.2994 -29.2994 -10.6692 -10.6692 -10.6553 -10.6553 -10.5479 -10.5479 -10.2193 -10.2193 -10.1389 -10.1389 -9.3459 -9.3459 -9.3443 -9.3443 -8.8862 -8.8862 -8.0705 -8.0705 -5.1832 -5.1832 -5.1614 -5.1614 3.2163 3.2163 6.0721 6.0721 6.2096 6.2096 7.3837 7.3837 8.0148 8.0148 8.0270 8.0270 9.2497 9.2497 9.2719 9.2719 9.2770 9.2770 15.4359 15.4359 15.6694 15.6694 15.6796 15.6796 16.3184 16.3184 k = 0.2071 0.2071 0.2071 ( 2277 PWs) bands (ev): -29.2991 -29.2991 -10.6598 -10.6598 -10.6425 -10.6425 -10.5447 -10.5447 -10.2215 -10.2215 -10.1392 -10.1392 -9.3437 -9.3437 -9.3423 -9.3423 -8.8876 -8.8876 -8.0342 -8.0342 -5.2398 -5.2398 -5.2170 -5.2170 3.1332 3.1332 6.1670 6.1670 6.3017 6.3017 7.3289 7.3289 7.9759 7.9759 7.9882 7.9882 9.2665 9.2665 9.2934 9.2934 9.2967 9.2967 15.5278 15.5278 15.7094 15.7094 15.7201 15.7201 16.3649 16.3649 k = 0.2143 0.2143 0.2143 ( 2283 PWs) bands (ev): -29.2987 -29.2987 -10.6511 -10.6511 -10.6294 -10.6294 -10.5404 -10.5404 -10.2237 -10.2237 -10.1395 -10.1395 -9.3413 -9.3413 -9.3401 -9.3401 -8.8890 -8.8890 -7.9978 -7.9978 -5.2970 -5.2970 -5.2731 -5.2731 3.0490 3.0490 6.2626 6.2626 6.3945 6.3945 7.2770 7.2770 7.9386 7.9386 7.9508 7.9508 9.2839 9.2839 9.3103 9.3103 9.3220 9.3220 15.6097 15.6097 15.7482 15.7482 15.7595 15.7595 16.4201 16.4201 k = 0.2214 0.2214 0.2214 ( 2277 PWs) bands (ev): -29.2984 -29.2984 -10.6431 -10.6431 -10.6160 -10.6160 -10.5346 -10.5346 -10.2257 -10.2257 -10.1398 -10.1398 -9.3388 -9.3388 -9.3377 -9.3377 -8.8904 -8.8904 -7.9612 -7.9612 -5.3546 -5.3546 -5.3298 -5.3298 2.9639 2.9639 6.3587 6.3587 6.4875 6.4875 7.2282 7.2282 7.9032 7.9032 7.9153 7.9153 9.3019 9.3019 9.3278 9.3278 9.3477 9.3477 15.6802 15.6802 15.7858 15.7858 15.7975 15.7975 16.4855 16.4855 k = 0.2286 0.2286 0.2286 ( 2277 PWs) bands (ev): -29.2981 -29.2981 -10.6361 -10.6361 -10.6024 -10.6024 -10.5274 -10.5274 -10.2276 -10.2276 -10.1400 -10.1400 -9.3360 -9.3360 -9.3351 -9.3351 -8.8919 -8.8919 -7.9244 -7.9244 -5.4125 -5.4125 -5.3868 -5.3868 2.8779 2.8779 6.4548 6.4548 6.5802 6.5802 7.1825 7.1825 7.8702 7.8702 7.8819 7.8819 9.3204 9.3204 9.3459 9.3459 9.3737 9.3737 15.7387 15.7387 15.8220 15.8220 15.8342 15.8342 16.5611 16.5611 k = 0.2357 0.2357 0.2357 ( 2277 PWs) bands (ev): -29.2977 -29.2977 -10.6301 -10.6301 -10.5885 -10.5885 -10.5187 -10.5187 -10.2295 -10.2295 -10.1402 -10.1402 -9.3330 -9.3330 -9.3323 -9.3323 -8.8933 -8.8933 -7.8877 -7.8877 -5.4708 -5.4708 -5.4441 -5.4441 2.7913 2.7913 6.5502 6.5502 6.6719 6.6719 7.1399 7.1399 7.8402 7.8402 7.8511 7.8511 9.3395 9.3395 9.3645 9.3645 9.4001 9.4001 15.7854 15.7854 15.8566 15.8566 15.8692 15.8692 16.6467 16.6467 k = 0.2429 0.2429 0.2429 ( 2277 PWs) bands (ev): -29.2974 -29.2974 -10.6250 -10.6250 -10.5745 -10.5745 -10.5085 -10.5085 -10.2314 -10.2314 -10.1404 -10.1404 -9.3299 -9.3299 -9.3293 -9.3293 -8.8947 -8.8947 -7.8509 -7.8509 -5.5292 -5.5292 -5.5016 -5.5016 2.7041 2.7041 6.6442 6.6442 6.7618 6.7618 7.1006 7.1006 7.8139 7.8139 7.8237 7.8237 9.3590 9.3590 9.3836 9.3836 9.4266 9.4266 15.8212 15.8212 15.8894 15.8894 15.9024 15.9024 16.7402 16.7402 k = 0.2500 0.2500 0.2500 ( 2292 PWs) bands (ev): -29.2970 -29.2970 -10.6209 -10.6209 -10.5603 -10.5603 -10.4971 -10.4971 -10.2332 -10.2332 -10.1405 -10.1405 -9.3265 -9.3265 -9.3261 -9.3261 -8.8961 -8.8961 -7.8141 -7.8141 -5.5877 -5.5877 -5.5592 -5.5592 2.6166 2.6166 6.7355 6.7355 6.8485 6.8485 7.0647 7.0647 7.7926 7.7926 7.8005 7.8005 9.3791 9.3791 9.4033 9.4033 9.4534 9.4534 15.8475 15.8475 15.9201 15.9201 15.9333 15.9333 16.8265 16.8265 k = 0.2571 0.2571 0.2571 ( 2274 PWs) bands (ev): -29.2967 -29.2967 -10.6174 -10.6174 -10.5461 -10.5461 -10.4845 -10.4845 -10.2348 -10.2348 -10.1405 -10.1405 -9.3228 -9.3228 -9.3225 -9.3225 -8.8975 -8.8975 -7.7774 -7.7774 -5.6463 -5.6463 -5.6169 -5.6169 2.5289 2.5289 6.8225 6.8225 6.9306 6.9306 7.0326 7.0326 7.7778 7.7778 7.7828 7.7828 9.3997 9.3997 9.4234 9.4234 9.4804 9.4804 15.8659 15.8659 15.9488 15.9488 15.9622 15.9622 16.8499 16.8499 k = 0.2643 0.2643 0.2643 ( 2274 PWs) bands (ev): -29.2963 -29.2963 -10.6145 -10.6145 -10.5318 -10.5318 -10.4709 -10.4709 -10.2365 -10.2365 -10.1405 -10.1405 -9.3189 -9.3189 -9.3188 -9.3188 -8.8988 -8.8988 -7.7409 -7.7409 -5.7047 -5.7047 -5.6745 -5.6745 2.4410 2.4410 6.9012 6.9012 7.0056 7.0056 7.0064 7.0064 7.7716 7.7716 7.7723 7.7723 9.4207 9.4207 9.4440 9.4440 9.5074 9.5074 15.8775 15.8775 15.9750 15.9750 15.9885 15.9885 16.8605 16.8605 k = 0.2714 0.2714 0.2714 ( 2280 PWs) bands (ev): -29.2960 -29.2960 -10.6122 -10.6122 -10.5175 -10.5175 -10.4565 -10.4565 -10.2381 -10.2381 -10.1403 -10.1403 -9.3148 -9.3148 -9.3147 -9.3147 -8.9002 -8.9002 -7.7045 -7.7045 -5.7631 -5.7631 -5.7320 -5.7320 2.3533 2.3533 6.9488 6.9488 7.0065 7.0065 7.0710 7.0710 7.7710 7.7710 7.7766 7.7766 9.4421 9.4421 9.4650 9.4650 9.5345 9.5345 15.8832 15.8832 15.9985 15.9985 16.0118 16.0118 16.8680 16.8680 k = 0.2786 0.2786 0.2786 ( 2280 PWs) bands (ev): -29.2957 -29.2957 -10.6102 -10.6102 -10.5032 -10.5032 -10.4416 -10.4416 -10.2396 -10.2396 -10.1401 -10.1401 -9.3104 -9.3104 -9.3103 -9.3103 -8.9015 -8.9015 -7.6683 -7.6683 -5.8211 -5.8211 -5.7893 -5.7893 2.2657 2.2657 6.9391 6.9391 7.0565 7.0565 7.1240 7.1240 7.7817 7.7817 7.7954 7.7954 9.4639 9.4639 9.4864 9.4864 9.5616 9.5616 15.8842 15.8842 16.0189 16.0189 16.0321 16.0321 16.8732 16.8732 k = 0.2857 0.2857 0.2857 ( 2275 PWs) bands (ev): -29.2953 -29.2953 -10.6084 -10.6084 -10.4890 -10.4890 -10.4261 -10.4261 -10.2411 -10.2411 -10.1396 -10.1396 -9.3057 -9.3057 -9.3056 -9.3056 -8.9027 -8.9027 -7.6324 -7.6324 -5.8789 -5.8789 -5.8463 -5.8463 2.1786 2.1786 6.9202 6.9202 7.1056 7.1056 7.1627 7.1627 7.8065 7.8065 7.8299 7.8299 9.4861 9.4861 9.5081 9.5081 9.5886 9.5886 15.8809 15.8809 16.0360 16.0360 16.0489 16.0489 16.8765 16.8765 k = 0.2929 0.2929 0.2929 ( 2272 PWs) bands (ev): -29.2950 -29.2950 -10.6070 -10.6070 -10.4750 -10.4750 -10.4103 -10.4103 -10.2424 -10.2424 -10.1390 -10.1390 -9.3008 -9.3008 -9.3007 -9.3007 -8.9039 -8.9039 -7.5968 -7.5968 -5.9362 -5.9362 -5.9029 -5.9029 2.0920 2.0920 6.9023 6.9023 7.1423 7.1423 7.1870 7.1870 7.8468 7.8468 7.8798 7.8798 9.5085 9.5085 9.5302 9.5302 9.6155 9.6155 15.8740 15.8740 16.0495 16.0495 16.0618 16.0618 16.8784 16.8784 k = 0.3000 0.3000 0.3000 ( 2281 PWs) bands (ev): -29.2947 -29.2947 -10.6057 -10.6057 -10.4612 -10.4612 -10.3943 -10.3943 -10.2436 -10.2436 -10.1382 -10.1382 -9.2956 -9.2956 -9.2954 -9.2954 -8.9051 -8.9051 -7.5616 -7.5616 -5.9931 -5.9931 -5.9591 -5.9591 2.0062 2.0062 6.8864 6.8864 7.1657 7.1657 7.1988 7.1988 7.9019 7.9019 7.9432 7.9432 9.5312 9.5312 9.5525 9.5525 9.6422 9.6422 15.8638 15.8638 16.0589 16.0589 16.0704 16.0704 16.8791 16.8791 k = 0.3071 0.3071 0.3071 ( 2281 PWs) bands (ev): -29.2944 -29.2944 -10.6046 -10.6046 -10.4477 -10.4477 -10.3782 -10.3782 -10.2447 -10.2447 -10.1372 -10.1372 -9.2900 -9.2900 -9.2898 -9.2898 -8.9062 -8.9062 -7.5267 -7.5267 -6.0494 -6.0494 -6.0146 -6.0146 1.9212 1.9212 6.8729 6.8729 7.1774 7.1774 7.2008 7.2008 7.9699 7.9699 8.0173 8.0173 9.5542 9.5542 9.5751 9.5751 9.6686 9.6686 15.8507 15.8507 16.0640 16.0640 16.0745 16.0745 16.8793 16.8793 k = 0.3143 0.3143 0.3143 ( 2281 PWs) bands (ev): -29.2940 -29.2940 -10.6036 -10.6036 -10.4346 -10.4346 -10.3623 -10.3623 -10.2454 -10.2454 -10.1359 -10.1359 -9.2842 -9.2842 -9.2839 -9.2839 -8.9072 -8.9072 -7.4924 -7.4924 -6.1050 -6.1050 -6.0696 -6.0696 1.8373 1.8373 6.8616 6.8616 7.1801 7.1801 7.1958 7.1958 8.0477 8.0477 8.0991 8.0991 9.5773 9.5773 9.5979 9.5979 9.6948 9.6948 15.8350 15.8350 16.0645 16.0645 16.0738 16.0738 16.8794 16.8794 k = 0.3214 0.3214 0.3214 ( 2293 PWs) bands (ev): -29.2937 -29.2937 -10.6027 -10.6027 -10.4219 -10.4219 -10.3467 -10.3467 -10.2457 -10.2457 -10.1343 -10.1343 -9.2781 -9.2781 -9.2776 -9.2776 -8.9082 -8.9082 -7.4585 -7.4585 -6.1598 -6.1598 -6.1238 -6.1238 1.7546 1.7546 6.8526 6.8526 7.1762 7.1762 7.1859 7.1859 8.1327 8.1327 8.1861 8.1861 9.6006 9.6006 9.6208 9.6208 9.7206 9.7206 15.8170 15.8170 16.0602 16.0602 16.0680 16.0680 16.8795 16.8795 k = 0.3286 0.3286 0.3286 ( 2293 PWs) bands (ev): -29.2935 -29.2935 -10.6019 -10.6019 -10.4096 -10.4096 -10.3317 -10.3317 -10.2453 -10.2453 -10.1324 -10.1324 -9.2717 -9.2717 -9.2711 -9.2711 -8.9091 -8.9091 -7.4252 -7.4252 -6.2138 -6.2138 -6.1772 -6.1772 1.6733 1.6733 6.8456 6.8456 7.1677 7.1677 7.1729 7.1729 8.2226 8.2226 8.2766 8.2766 9.6240 9.6240 9.6438 9.6438 9.7460 9.7460 15.7970 15.7970 16.0510 16.0510 16.0570 16.0570 16.8804 16.8804 k = 0.3357 0.3357 0.3357 ( 2293 PWs) bands (ev): -29.2932 -29.2932 -10.6012 -10.6012 -10.3979 -10.3979 -10.3180 -10.3180 -10.2438 -10.2438 -10.1302 -10.1302 -9.2650 -9.2650 -9.2643 -9.2643 -8.9100 -8.9100 -7.3925 -7.3925 -6.2668 -6.2668 -6.2297 -6.2297 1.5936 1.5936 6.8407 6.8407 7.1563 7.1563 7.1578 7.1578 8.3156 8.3156 8.3691 8.3691 9.6474 9.6474 9.6669 9.6669 9.7709 9.7709 15.7753 15.7753 16.0369 16.0369 16.0409 16.0409 16.8820 16.8820 k = 0.3429 0.3429 0.3429 ( 2293 PWs) bands (ev): -29.2929 -29.2929 -10.6005 -10.6005 -10.3869 -10.3869 -10.3060 -10.3060 -10.2406 -10.2406 -10.1275 -10.1275 -9.2581 -9.2581 -9.2572 -9.2572 -8.9108 -8.9108 -7.3605 -7.3605 -6.3188 -6.3188 -6.2811 -6.2811 1.5157 1.5157 6.8375 6.8375 7.1417 7.1417 7.1429 7.1429 8.4105 8.4105 8.4626 8.4626 9.6708 9.6708 9.6900 9.6900 9.7953 9.7953 15.7521 15.7521 16.0180 16.0180 16.0198 16.0198 16.8845 16.8845 k = 0.3500 0.3500 0.3500 ( 2296 PWs) bands (ev): -29.2926 -29.2926 -10.5999 -10.5999 -10.3765 -10.3765 -10.2967 -10.2967 -10.2349 -10.2349 -10.1246 -10.1246 -9.2509 -9.2509 -9.2498 -9.2498 -8.9115 -8.9115 -7.3292 -7.3292 -6.3697 -6.3697 -6.3315 -6.3315 1.4396 1.4396 6.8360 6.8360 7.1249 7.1249 7.1284 7.1284 8.5061 8.5061 8.5563 8.5563 9.6942 9.6942 9.7131 9.7131 9.8191 9.8191 15.7275 15.7275 15.9940 15.9940 15.9946 15.9946 16.8880 16.8880 k = 0.3571 0.3571 0.3571 ( 2308 PWs) bands (ev): -29.2924 -29.2924 -10.5995 -10.5995 -10.3668 -10.3668 -10.2904 -10.2904 -10.2265 -10.2265 -10.1212 -10.1212 -9.2434 -9.2434 -9.2422 -9.2422 -8.9122 -8.9122 -7.2988 -7.2988 -6.4193 -6.4193 -6.3807 -6.3807 1.3656 1.3656 6.8361 6.8361 7.1079 7.1079 7.1133 7.1133 8.6017 8.6017 8.6494 8.6494 9.7175 9.7175 9.7361 9.7361 9.8422 9.8422 15.7018 15.7018 15.9639 15.9639 15.9670 15.9670 16.8923 16.8923 k = 0.3643 0.3643 0.3643 ( 2299 PWs) bands (ev): -29.2921 -29.2921 -10.5990 -10.5990 -10.3578 -10.3578 -10.2867 -10.2867 -10.2156 -10.2156 -10.1175 -10.1175 -9.2358 -9.2358 -9.2345 -9.2345 -8.9128 -8.9128 -7.2692 -7.2692 -6.4675 -6.4675 -6.4285 -6.4285 1.2939 1.2939 6.8375 6.8375 7.0911 7.0911 7.0980 7.0980 8.6965 8.6965 8.7415 8.7415 9.7407 9.7407 9.7591 9.7591 9.8647 9.8647 15.6755 15.6755 15.9299 15.9299 15.9357 15.9357 16.8975 16.8975 k = 0.3714 0.3714 0.3714 ( 2299 PWs) bands (ev): -29.2918 -29.2918 -10.5986 -10.5986 -10.3497 -10.3497 -10.2849 -10.2849 -10.2032 -10.2032 -10.1134 -10.1134 -9.2279 -9.2279 -9.2265 -9.2265 -8.9133 -8.9133 -7.2406 -7.2406 -6.5143 -6.5143 -6.4749 -6.4749 1.2246 1.2246 6.8402 6.8402 7.0746 7.0746 7.0828 7.0828 8.7899 8.7899 8.8319 8.8319 9.7637 9.7637 9.7819 9.7819 9.8864 9.8864 15.6486 15.6486 15.8926 15.8926 15.9010 15.9010 16.9033 16.9036 k = 0.3786 0.3786 0.3786 ( 2293 PWs) bands (ev): -29.2916 -29.2916 -10.5982 -10.5982 -10.3422 -10.3422 -10.2843 -10.2843 -10.1900 -10.1900 -10.1090 -10.1090 -9.2199 -9.2199 -9.2185 -9.2185 -8.9138 -8.9138 -7.2130 -7.2130 -6.5595 -6.5595 -6.5198 -6.5198 1.1579 1.1579 6.8438 6.8438 7.0586 7.0586 7.0679 7.0679 8.8814 8.8814 8.9202 8.9202 9.7866 9.7866 9.8046 9.8046 9.9073 9.9073 15.6213 15.6213 15.8527 15.8527 15.8637 15.8637 16.9102 16.9118 k = 0.3857 0.3857 0.3857 ( 2293 PWs) bands (ev): -29.2914 -29.2914 -10.5980 -10.5980 -10.3355 -10.3355 -10.2845 -10.2845 -10.1765 -10.1765 -10.1043 -10.1043 -9.2118 -9.2118 -9.2103 -9.2103 -8.9142 -8.9142 -7.1864 -7.1864 -6.6030 -6.6030 -6.5631 -6.5631 1.0939 1.0939 6.8484 6.8484 7.0432 7.0432 7.0535 7.0535 8.9705 8.9705 9.0059 9.0059 9.8093 9.8093 9.8271 9.8271 9.9273 9.9273 15.5938 15.5938 15.8106 15.8106 15.8243 15.8243 16.9173 16.9187 k = 0.3929 0.3929 0.3929 ( 2299 PWs) bands (ev): -29.2912 -29.2912 -10.5977 -10.5977 -10.3296 -10.3296 -10.2852 -10.2852 -10.1631 -10.1631 -10.0995 -10.0995 -9.2037 -9.2037 -9.2022 -9.2022 -8.9146 -8.9146 -7.1611 -7.1611 -6.6447 -6.6447 -6.6046 -6.6046 1.0329 1.0329 6.8536 6.8536 7.0285 7.0285 7.0396 7.0396 9.0565 9.0565 9.0885 9.0885 9.8317 9.8317 9.8494 9.8494 9.9464 9.9464 15.5665 15.5665 15.7670 15.7670 15.7832 15.7832 16.9229 16.9246 k = 0.4000 0.4000 0.4000 ( 2305 PWs) bands (ev): -29.2910 -29.2910 -10.5976 -10.5976 -10.3244 -10.3244 -10.2862 -10.2862 -10.1499 -10.1499 -10.0945 -10.0945 -9.1955 -9.1955 -9.1940 -9.1940 -8.9149 -8.9149 -7.1370 -7.1370 -6.6845 -6.6845 -6.6442 -6.6442 0.9750 0.9750 6.8594 6.8594 7.0146 7.0146 7.0265 7.0265 9.1391 9.1391 9.1675 9.1675 9.8540 9.8540 9.8716 9.8716 9.9645 9.9645 15.5395 15.5395 15.7225 15.7225 15.7412 15.7412 16.9296 16.9296 k = 0.4071 0.4071 0.4071 ( 2299 PWs) bands (ev): -29.2908 -29.2908 -10.5974 -10.5974 -10.3198 -10.3198 -10.2873 -10.2873 -10.1372 -10.1372 -10.0894 -10.0894 -9.1875 -9.1875 -9.1860 -9.1860 -8.9152 -8.9152 -7.1143 -7.1143 -6.7221 -6.7221 -6.6818 -6.6818 0.9202 0.9202 6.8656 6.8656 7.0015 7.0015 7.0141 7.0141 9.2177 9.2177 9.2426 9.2426 9.8761 9.8761 9.8936 9.8936 9.9816 9.9816 15.5129 15.5129 15.6780 15.6780 15.6989 15.6989 16.9368 16.9385 k = 0.4143 0.4143 0.4143 ( 2293 PWs) bands (ev): -29.2906 -29.2906 -10.5972 -10.5972 -10.3158 -10.3158 -10.2884 -10.2884 -10.1250 -10.1250 -10.0844 -10.0844 -9.1795 -9.1795 -9.1781 -9.1781 -8.9154 -8.9154 -7.0930 -7.0930 -6.7575 -6.7575 -6.7173 -6.7173 0.8689 0.8689 6.8721 6.8721 6.9893 6.9893 7.0025 7.0025 9.2917 9.2917 9.3131 9.3131 9.8980 9.8980 9.9155 9.9155 9.9976 9.9976 15.4870 15.4870 15.6339 15.6339 15.6567 15.6567 16.9428 16.9431 k = 0.4214 0.4214 0.4214 ( 2296 PWs) bands (ev): -29.2905 -29.2905 -10.5971 -10.5971 -10.3123 -10.3123 -10.2897 -10.2897 -10.1135 -10.1135 -10.0795 -10.0795 -9.1718 -9.1718 -9.1705 -9.1705 -8.9156 -8.9156 -7.0733 -7.0733 -6.7905 -6.7905 -6.7506 -6.7506 0.8211 0.8211 6.8786 6.8786 6.9780 6.9780 6.9918 6.9918 9.3607 9.3607 9.3787 9.3787 9.9197 9.9197 9.9371 9.9371 10.0126 10.0126 15.4619 15.4619 15.5910 15.5910 15.6154 15.6154 16.9489 16.9499 k = 0.4286 0.4286 0.4286 ( 2296 PWs) bands (ev): -29.2903 -29.2903 -10.5971 -10.5971 -10.3093 -10.3093 -10.2909 -10.2909 -10.1028 -10.1028 -10.0747 -10.0747 -9.1643 -9.1643 -9.1632 -9.1632 -8.9157 -8.9157 -7.0552 -7.0552 -6.8210 -6.8210 -6.7815 -6.7815 0.7769 0.7769 6.8850 6.8850 6.9676 6.9676 6.9820 6.9820 9.4242 9.4242 9.4390 9.4390 9.9412 9.9412 9.9586 9.9586 10.0264 10.0264 15.4376 15.4376 15.5500 15.5500 15.5754 15.5754 16.9547 16.9556 k = 0.4357 0.4357 0.4357 ( 2296 PWs) bands (ev): -29.2902 -29.2902 -10.5970 -10.5970 -10.3068 -10.3068 -10.2921 -10.2921 -10.0929 -10.0929 -10.0702 -10.0702 -9.1572 -9.1572 -9.1563 -9.1563 -8.9158 -8.9158 -7.0390 -7.0390 -6.8486 -6.8486 -6.8099 -6.8099 0.7365 0.7365 6.8912 6.8912 6.9582 6.9582 6.9731 6.9731 9.4817 9.4817 9.4935 9.4935 9.9624 9.9624 9.9797 9.9797 10.0391 10.0391 15.4143 15.4143 15.5116 15.5116 15.5373 15.5373 16.9598 16.9605 k = 0.4429 0.4429 0.4429 ( 2296 PWs) bands (ev): -29.2901 -29.2901 -10.5970 -10.5970 -10.3047 -10.3047 -10.2932 -10.2932 -10.0839 -10.0839 -10.0659 -10.0659 -9.1506 -9.1506 -9.1498 -9.1498 -8.9159 -8.9159 -7.0248 -7.0248 -6.8732 -6.8732 -6.8357 -6.8357 0.7001 0.7001 6.8970 6.8970 6.9497 6.9497 6.9653 6.9653 9.5329 9.5329 9.5420 9.5420 9.9832 9.9832 10.0002 10.0002 10.0506 10.0506 15.3918 15.3918 15.4765 15.4765 15.5016 15.5016 16.9646 16.9650 k = 0.4500 0.4500 0.4500 ( 2296 PWs) bands (ev): -29.2900 -29.2900 -10.5970 -10.5970 -10.3029 -10.3029 -10.2942 -10.2942 -10.0758 -10.0758 -10.0621 -10.0621 -9.1445 -9.1445 -9.1439 -9.1439 -8.9160 -8.9160 -7.0130 -7.0130 -6.8943 -6.8943 -6.8588 -6.8588 0.6676 0.6676 6.9023 6.9023 6.9422 6.9422 6.9584 6.9584 9.5777 9.5777 9.5844 9.5844 10.0032 10.0032 10.0200 10.0200 10.0609 10.0609 15.3703 15.3703 15.4455 15.4455 15.4688 15.4688 16.9687 16.9691 k = 0.4571 0.4571 0.4571 ( 2296 PWs) bands (ev): -29.2899 -29.2899 -10.5970 -10.5970 -10.3015 -10.3015 -10.2951 -10.2951 -10.0687 -10.0687 -10.0586 -10.0586 -9.1391 -9.1391 -9.1385 -9.1385 -8.9160 -8.9160 -7.0040 -7.0040 -6.9115 -6.9115 -6.8790 -6.8790 0.6393 0.6393 6.9069 6.9069 6.9357 6.9357 6.9526 6.9526 9.6158 9.6158 9.6206 9.6206 10.0221 10.0221 10.0387 10.0387 10.0700 10.0700 15.3496 15.3496 15.4191 15.4191 15.4393 15.4393 16.9723 16.9727 k = 0.4643 0.4643 0.4643 ( 2296 PWs) bands (ev): -29.2898 -29.2898 -10.5970 -10.5970 -10.3003 -10.3003 -10.2959 -10.2959 -10.0626 -10.0626 -10.0556 -10.0556 -9.1343 -9.1343 -9.1339 -9.1339 -8.9160 -8.9160 -6.9984 -6.9984 -6.9242 -6.9242 -6.8963 -6.8963 0.6151 0.6151 6.9108 6.9108 6.9302 6.9302 6.9480 6.9480 9.6475 9.6475 9.6506 9.6506 10.0393 10.0393 10.0558 10.0558 10.0780 10.0780 15.3303 15.3303 15.3976 15.3976 15.4136 15.4136 16.9754 16.9757 k = 0.4714 0.4714 0.4714 ( 2293 PWs) bands (ev): -29.2897 -29.2897 -10.5970 -10.5970 -10.2994 -10.2994 -10.2966 -10.2966 -10.0576 -10.0576 -10.0531 -10.0531 -9.1303 -9.1303 -9.1300 -9.1300 -8.9161 -8.9161 -6.9965 -6.9965 -6.9320 -6.9320 -6.9106 -6.9106 0.5953 0.5953 6.9137 6.9137 6.9257 6.9257 6.9445 6.9445 9.6728 9.6728 9.6748 9.6748 10.0542 10.0542 10.0707 10.0707 10.0848 10.0848 15.3130 15.3130 15.3807 15.3807 15.3921 15.3921 16.9780 16.9780 k = 0.4786 0.4786 0.4786 ( 2293 PWs) bands (ev): -29.2897 -29.2897 -10.5970 -10.5970 -10.2987 -10.2987 -10.2971 -10.2971 -10.0537 -10.0537 -10.0511 -10.0511 -9.1271 -9.1271 -9.1269 -9.1269 -8.9161 -8.9161 -6.9975 -6.9975 -6.9355 -6.9355 -6.9218 -6.9218 0.5798 0.5798 6.9157 6.9157 6.9222 6.9222 6.9421 6.9421 9.6921 9.6921 9.6932 9.6932 10.0660 10.0660 10.0829 10.0829 10.0907 10.0907 15.2986 15.2986 15.3681 15.3681 15.3750 15.3750 16.9800 16.9801 k = 0.4857 0.4857 0.4857 ( 2293 PWs) bands (ev): -29.2896 -29.2896 -10.5970 -10.5970 -10.2982 -10.2982 -10.2975 -10.2975 -10.0508 -10.0508 -10.0497 -10.0497 -9.1248 -9.1248 -9.1247 -9.1247 -8.9161 -8.9161 -6.9999 -6.9999 -6.9365 -6.9365 -6.9299 -6.9299 0.5687 0.5687 6.9169 6.9169 6.9197 6.9197 6.9407 6.9407 9.7057 9.7057 9.7061 9.7061 10.0744 10.0744 10.0921 10.0921 10.0953 10.0953 15.2877 15.2877 15.3593 15.3593 15.3625 15.3625 16.9814 16.9814 k = 0.4929 0.4929 0.4929 ( 2293 PWs) bands (ev): -29.2896 -29.2896 -10.5970 -10.5970 -10.2979 -10.2979 -10.2977 -10.2977 -10.0491 -10.0491 -10.0489 -10.0489 -9.1234 -9.1234 -9.1234 -9.1234 -8.9161 -8.9161 -7.0019 -7.0019 -6.9364 -6.9364 -6.9347 -6.9347 0.5620 0.5620 6.9175 6.9175 6.9181 6.9181 6.9400 6.9400 9.7137 9.7137 9.7138 9.7138 10.0793 10.0793 10.0977 10.0977 10.0985 10.0985 15.2810 15.2810 15.3542 15.3542 15.3550 15.3550 16.9823 16.9823 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -29.2896 -29.2896 -10.5969 -10.5969 -10.2978 -10.2978 -10.2978 -10.2978 -10.0485 -10.0485 -10.0485 -10.0485 -9.1229 -9.1229 -9.1229 -9.1229 -8.9161 -8.9161 -7.0027 -7.0027 -6.9363 -6.9363 -6.9363 -6.9363 0.5598 0.5598 6.9177 6.9177 6.9177 6.9177 6.9398 6.9398 9.7164 9.7164 9.7164 9.7164 10.0809 10.0809 10.0997 10.0997 10.0997 10.0997 15.2789 15.2789 15.3526 15.3526 15.3526 15.3526 16.9826 16.9826 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -29.2896 -29.2896 -10.5969 -10.5969 -10.2978 -10.2978 -10.2978 -10.2978 -10.0485 -10.0485 -10.0485 -10.0485 -9.1229 -9.1229 -9.1229 -9.1229 -8.9161 -8.9161 -7.0027 -7.0027 -6.9363 -6.9363 -6.9363 -6.9363 0.5598 0.5598 6.9177 6.9177 6.9177 6.9177 6.9398 6.9398 9.7164 9.7164 9.7164 9.7164 10.0809 10.0809 10.0997 10.0997 10.0997 10.0997 15.2789 15.2789 15.3526 15.3526 15.3526 15.3526 16.9826 16.9826 k = 0.4912 0.5000 0.4912 ( 2292 PWs) bands (ev): -29.2896 -29.2896 -10.5970 -10.5970 -10.2979 -10.2979 -10.2977 -10.2977 -10.0492 -10.0492 -10.0488 -10.0488 -9.1236 -9.1236 -9.1231 -9.1231 -8.9161 -8.9161 -7.0019 -7.0019 -6.9364 -6.9364 -6.9347 -6.9347 0.5620 0.5620 6.9174 6.9174 6.9182 6.9182 6.9400 6.9400 9.7125 9.7125 9.7151 9.7151 10.0793 10.0793 10.0976 10.0976 10.0986 10.0986 15.2810 15.2810 15.3542 15.3542 15.3550 15.3550 16.9819 16.9819 k = 0.4825 0.5000 0.4825 ( 2292 PWs) bands (ev): -29.2896 -29.2896 -10.5970 -10.5970 -10.2982 -10.2982 -10.2974 -10.2974 -10.0512 -10.0512 -10.0494 -10.0494 -9.1256 -9.1256 -9.1239 -9.1239 -8.9161 -8.9161 -6.9998 -6.9998 -6.9366 -6.9366 -6.9298 -6.9298 0.5687 0.5687 6.9166 6.9166 6.9199 6.9199 6.9408 6.9408 9.7007 9.7007 9.7111 9.7111 10.0743 10.0743 10.0917 10.0917 10.0957 10.0957 15.2878 15.2878 15.3595 15.3595 15.3625 15.3625 16.9800 16.9800 k = 0.4737 0.5000 0.4737 ( 2292 PWs) bands (ev): -29.2897 -29.2897 -10.5970 -10.5970 -10.2988 -10.2988 -10.2970 -10.2970 -10.0544 -10.0544 -10.0504 -10.0504 -9.1290 -9.1290 -9.1251 -9.1251 -8.9161 -8.9161 -6.9970 -6.9970 -6.9369 -6.9369 -6.9210 -6.9210 0.5799 0.5799 6.9150 6.9150 6.9226 6.9226 6.9424 6.9424 9.6808 9.6808 9.7045 9.7045 10.0654 10.0654 10.0821 10.0821 10.0917 10.0917 15.2988 15.2988 15.3683 15.3683 15.3748 15.3748 16.9768 16.9768 k = 0.4649 0.5000 0.4649 ( 2292 PWs) bands (ev): -29.2897 -29.2897 -10.5969 -10.5969 -10.2996 -10.2996 -10.2963 -10.2963 -10.0589 -10.0589 -10.0518 -10.0518 -9.1335 -9.1335 -9.1268 -9.1268 -8.9161 -8.9161 -6.9941 -6.9941 -6.9372 -6.9372 -6.9077 -6.9077 0.5955 0.5955 6.9123 6.9123 6.9263 6.9263 6.9454 6.9454 9.6526 9.6526 9.6953 9.6953 10.0526 10.0526 10.0691 10.0691 10.0868 10.0868 15.3136 15.3136 15.3810 15.3810 15.3919 15.3919 16.9724 16.9724 k = 0.4561 0.5000 0.4561 ( 2292 PWs) bands (ev): -29.2898 -29.2898 -10.5969 -10.5969 -10.3007 -10.3007 -10.2955 -10.2955 -10.0647 -10.0647 -10.0536 -10.0536 -9.1393 -9.1393 -9.1289 -9.1289 -8.9160 -8.9160 -6.9917 -6.9917 -6.9375 -6.9375 -6.8896 -6.8896 0.6155 0.6155 6.9084 6.9084 6.9308 6.9308 6.9499 6.9499 9.6158 9.6158 9.6835 9.6835 10.0363 10.0363 10.0530 10.0530 10.0811 10.0811 15.3316 15.3316 15.3977 15.3977 15.4135 15.4135 16.9667 16.9668 k = 0.4474 0.5000 0.4474 ( 2292 PWs) bands (ev): -29.2899 -29.2899 -10.5970 -10.5970 -10.3021 -10.3021 -10.2945 -10.2945 -10.0717 -10.0717 -10.0557 -10.0557 -9.1460 -9.1460 -9.1315 -9.1315 -8.9160 -8.9160 -6.9902 -6.9902 -6.9378 -6.9378 -6.8667 -6.8667 0.6399 0.6399 6.9033 6.9033 6.9360 6.9360 6.9561 6.9561 9.5703 9.5703 9.6691 9.6691 10.0172 10.0172 10.0339 10.0339 10.0745 10.0745 15.3522 15.3522 15.4188 15.4188 15.4393 15.4393 16.9597 16.9597 k = 0.4386 0.5000 0.4386 ( 2292 PWs) bands (ev): -29.2899 -29.2899 -10.5970 -10.5970 -10.3038 -10.3038 -10.2933 -10.2933 -10.0798 -10.0798 -10.0582 -10.0582 -9.1536 -9.1536 -9.1345 -9.1345 -8.9160 -8.9160 -6.9894 -6.9894 -6.9378 -6.9378 -6.8391 -6.8391 0.6686 0.6686 6.8972 6.8972 6.9418 6.9418 6.9640 6.9640 9.5161 9.5161 9.6522 9.6522 9.9958 9.9958 10.0122 10.0122 10.0669 10.0669 15.3747 15.3747 15.4442 15.4442 15.4691 15.4691 16.9515 16.9517 k = 0.4298 0.5000 0.4298 ( 2292 PWs) bands (ev): -29.2901 -29.2901 -10.5970 -10.5970 -10.3058 -10.3058 -10.2920 -10.2920 -10.0890 -10.0890 -10.0610 -10.0610 -9.1620 -9.1620 -9.1379 -9.1379 -8.9159 -8.9159 -6.9895 -6.9895 -6.9376 -6.9376 -6.8072 -6.8072 0.7014 0.7014 6.8903 6.8903 6.9483 6.9483 6.9736 6.9736 9.4534 9.4534 9.6328 9.6328 9.9722 9.9722 9.9882 9.9882 10.0583 10.0583 15.3988 15.3988 15.4738 15.4738 15.5025 15.5025 16.9420 16.9421 k = 0.4211 0.5000 0.4211 ( 2292 PWs) bands (ev): -29.2902 -29.2902 -10.5970 -10.5970 -10.3083 -10.3083 -10.2906 -10.2906 -10.0992 -10.0992 -10.0640 -10.0640 -9.1710 -9.1710 -9.1417 -9.1417 -8.9159 -8.9159 -6.9904 -6.9904 -6.9372 -6.9372 -6.7712 -6.7712 0.7385 0.7385 6.8826 6.8826 6.9554 6.9554 6.9847 6.9847 9.3825 9.3825 9.6108 9.6108 9.9462 9.9462 9.9627 9.9627 10.0487 10.0487 15.4244 15.4244 15.5072 15.5072 15.5392 15.5392 16.9313 16.9314 k = 0.4123 0.5000 0.4123 ( 2292 PWs) bands (ev): -29.2903 -29.2903 -10.5971 -10.5971 -10.3113 -10.3113 -10.2890 -10.2890 -10.1104 -10.1104 -10.0672 -10.0672 -9.1805 -9.1805 -9.1459 -9.1459 -8.9158 -8.9158 -6.9919 -6.9919 -6.9364 -6.9364 -6.7314 -6.7314 0.7796 0.7796 6.8744 6.8744 6.9632 6.9632 6.9972 6.9972 9.3039 9.3039 9.5864 9.5864 9.9176 9.9176 9.9363 9.9363 10.0379 10.0379 15.4516 15.4516 15.5438 15.5438 15.5788 15.5788 16.9194 16.9194 k = 0.4035 0.5000 0.4035 ( 2296 PWs) bands (ev): -29.2905 -29.2905 -10.5972 -10.5972 -10.3147 -10.3147 -10.2874 -10.2874 -10.1223 -10.1223 -10.0706 -10.0706 -9.1903 -9.1903 -9.1503 -9.1503 -8.9157 -8.9157 -6.9941 -6.9941 -6.9354 -6.9354 -6.6881 -6.6881 0.8247 0.8247 6.8657 6.8657 6.9718 6.9718 7.0111 7.0111 9.2181 9.2181 9.5596 9.5596 9.8863 9.8863 9.9094 9.9094 10.0260 10.0260 15.4803 15.4803 15.5827 15.5827 15.6209 15.6209 16.9063 16.9063 k = 0.3947 0.5000 0.3947 ( 2296 PWs) bands (ev): -29.2906 -29.2906 -10.5974 -10.5974 -10.3188 -10.3188 -10.2858 -10.2858 -10.1350 -10.1350 -10.0740 -10.0740 -9.2003 -9.2003 -9.1551 -9.1551 -8.9155 -8.9155 -6.9968 -6.9968 -6.9341 -6.9341 -6.6416 -6.6416 0.8736 0.8736 6.8567 6.8567 6.9812 6.9812 7.0262 7.0262 9.1259 9.1259 9.5305 9.5305 9.8524 9.8524 9.8822 9.8822 10.0129 10.0129 15.5106 15.5106 15.6234 15.6234 15.6652 15.6652 16.8920 16.8920 k = 0.3860 0.5000 0.3860 ( 2292 PWs) bands (ev): -29.2908 -29.2908 -10.5976 -10.5976 -10.3235 -10.3235 -10.2841 -10.2841 -10.1481 -10.1481 -10.0776 -10.0776 -9.2103 -9.2103 -9.1601 -9.1601 -8.9154 -8.9154 -7.0000 -7.0000 -6.9326 -6.9326 -6.5920 -6.5920 0.9264 0.9264 6.8476 6.8476 6.9913 6.9913 7.0425 7.0425 9.0278 9.0278 9.4990 9.4990 9.8164 9.8164 9.8544 9.8544 9.9987 9.9987 15.5425 15.5425 15.6652 15.6652 15.7113 15.7113 16.8767 16.8767 k = 0.3772 0.5000 0.3772 ( 2292 PWs) bands (ev): -29.2910 -29.2910 -10.5978 -10.5978 -10.3290 -10.3290 -10.2826 -10.2826 -10.1616 -10.1616 -10.0811 -10.0811 -9.2204 -9.2204 -9.1653 -9.1653 -8.9151 -8.9151 -7.0037 -7.0037 -6.9310 -6.9310 -6.5396 -6.5396 0.9828 0.9828 6.8384 6.8384 7.0023 7.0023 7.0599 7.0599 8.9244 8.9244 9.4654 9.4654 9.7785 9.7785 9.8259 9.8259 9.9834 9.9834 15.5761 15.5761 15.7074 15.7074 15.7589 15.7589 16.8603 16.8603 k = 0.3684 0.5000 0.3684 ( 2296 PWs) bands (ev): -29.2912 -29.2912 -10.5982 -10.5982 -10.3353 -10.3353 -10.2813 -10.2813 -10.1751 -10.1751 -10.0846 -10.0846 -9.2304 -9.2304 -9.1707 -9.1707 -8.9149 -8.9149 -7.0076 -7.0076 -6.9293 -6.9293 -6.4846 -6.4846 1.0428 1.0428 6.8294 6.8294 7.0140 7.0140 7.0784 7.0784 8.8163 8.8163 9.4296 9.4296 9.7392 9.7392 9.7967 9.7967 9.9669 9.9669 15.6111 15.6111 15.7494 15.7494 15.8076 15.8076 16.8427 16.8427 k = 0.3596 0.5000 0.3596 ( 2296 PWs) bands (ev): -29.2914 -29.2914 -10.5986 -10.5986 -10.3426 -10.3426 -10.2806 -10.2806 -10.1882 -10.1882 -10.0880 -10.0880 -9.2401 -9.2401 -9.1763 -9.1763 -8.9146 -8.9146 -7.0118 -7.0118 -6.9277 -6.9277 -6.4273 -6.4273 1.1062 1.1062 6.8206 6.8206 7.0266 7.0266 7.0977 7.0977 8.7041 8.7041 9.3917 9.3917 9.6986 9.6986 9.7668 9.7668 9.9492 9.9492 15.6475 15.6475 15.7909 15.7909 15.8572 15.8572 16.8241 16.8241 k = 0.3509 0.5000 0.3509 ( 2304 PWs) bands (ev): -29.2916 -29.2916 -10.5992 -10.5992 -10.3509 -10.3509 -10.2807 -10.2807 -10.2005 -10.2005 -10.0913 -10.0913 -9.2497 -9.2497 -9.1819 -9.1819 -8.9142 -8.9142 -7.0162 -7.0162 -6.9261 -6.9261 -6.3678 -6.3678 1.1729 1.1729 6.8122 6.8122 7.0401 7.0401 7.1178 7.1178 8.5882 8.5882 9.3519 9.3519 9.6570 9.6570 9.7362 9.7362 9.9303 9.9303 15.6852 15.6852 15.8311 15.8311 15.9072 15.9072 16.8046 16.8046 k = 0.3421 0.5000 0.3421 ( 2304 PWs) bands (ev): -29.2918 -29.2918 -10.5998 -10.5998 -10.3602 -10.3602 -10.2822 -10.2822 -10.2113 -10.2113 -10.0943 -10.0943 -9.2589 -9.2589 -9.1877 -9.1877 -8.9138 -8.9138 -7.0208 -7.0208 -6.9246 -6.9246 -6.3063 -6.3063 1.2429 1.2429 6.8043 6.8043 7.0544 7.0544 7.1386 7.1386 8.4693 8.4693 9.3103 9.3103 9.6145 9.6145 9.7050 9.7050 9.9103 9.9103 15.7242 15.7242 15.8699 15.8699 15.9576 15.9576 16.7842 16.7842 k = 0.3333 0.5000 0.3333 ( 2296 PWs) bands (ev): -29.2920 -29.2920 -10.6006 -10.6006 -10.3708 -10.3708 -10.2856 -10.2856 -10.2196 -10.2196 -10.0971 -10.0971 -9.2677 -9.2677 -9.1935 -9.1935 -8.9134 -8.9134 -7.0254 -7.0254 -6.9234 -6.9234 -6.2430 -6.2430 1.3159 1.3159 6.7971 6.7971 7.0697 7.0697 7.1599 7.1599 8.3478 8.3478 9.2669 9.2669 9.5715 9.5715 9.6732 9.6732 9.8890 9.8890 15.7643 15.7643 15.9068 15.9068 16.0080 16.0080 16.7631 16.7631 k = 0.3246 0.5000 0.3246 ( 2296 PWs) bands (ev): -29.2923 -29.2923 -10.6016 -10.6016 -10.3825 -10.3825 -10.2915 -10.2915 -10.2252 -10.2252 -10.0996 -10.0996 -9.2762 -9.2762 -9.1993 -9.1993 -8.9129 -8.9129 -7.0301 -7.0301 -6.9223 -6.9223 -6.1780 -6.1780 1.3918 1.3918 6.7906 6.7906 7.0858 7.0858 7.1815 7.1815 8.2241 8.2241 9.2220 9.2220 9.5280 9.5280 9.6408 9.6408 9.8666 9.8666 15.8052 15.8052 15.9414 15.9414 16.0582 16.0582 16.7411 16.7411 k = 0.3158 0.5000 0.3158 ( 2290 PWs) bands (ev): -29.2925 -29.2925 -10.6028 -10.6028 -10.3954 -10.3954 -10.2996 -10.2996 -10.2279 -10.2279 -10.1018 -10.1018 -9.2843 -9.2843 -9.2051 -9.2051 -8.9123 -8.9123 -7.0349 -7.0349 -6.9215 -6.9215 -6.1116 -6.1116 1.4707 1.4707 6.7850 6.7850 7.1028 7.1028 7.2032 7.2032 8.0987 8.0987 9.1757 9.1757 9.4843 9.4843 9.6080 9.6080 9.8430 9.8430 15.8468 15.8468 15.9735 15.9735 16.1081 16.1081 16.7185 16.7185 k = 0.3070 0.5000 0.3070 ( 2286 PWs) bands (ev): -29.2927 -29.2927 -10.6042 -10.6042 -10.4095 -10.4095 -10.3093 -10.3093 -10.2285 -10.2285 -10.1038 -10.1038 -9.2919 -9.2919 -9.2108 -9.2108 -8.9117 -8.9117 -7.0396 -7.0396 -6.9210 -6.9210 -6.0439 -6.0439 1.5522 1.5522 6.7803 6.7803 7.1207 7.1207 7.2248 7.2248 7.9719 7.9719 9.1283 9.1283 9.4405 9.4405 9.5748 9.5748 9.8182 9.8182 15.8891 15.8891 16.0029 16.0029 16.1575 16.1575 16.6953 16.6953 k = 0.2982 0.5000 0.2982 ( 2278 PWs) bands (ev): -29.2930 -29.2930 -10.6059 -10.6059 -10.4247 -10.4247 -10.3199 -10.3199 -10.2275 -10.2275 -10.1054 -10.1054 -9.2991 -9.2991 -9.2165 -9.2165 -8.9110 -8.9110 -7.0443 -7.0443 -6.9208 -6.9208 -5.9750 -5.9750 1.6362 1.6362 6.7767 6.7767 7.1395 7.1395 7.2460 7.2460 7.8441 7.8441 9.0800 9.0800 9.3968 9.3968 9.5413 9.5413 9.7922 9.7922 15.9319 15.9319 16.0295 16.0295 16.2062 16.2062 16.6716 16.6716 k = 0.2895 0.5000 0.2895 ( 2282 PWs) bands (ev): -29.2933 -29.2933 -10.6079 -10.6079 -10.4408 -10.4408 -10.3307 -10.3307 -10.2255 -10.2255 -10.1067 -10.1067 -9.3059 -9.3059 -9.2221 -9.2221 -8.9103 -8.9103 -7.0489 -7.0489 -6.9211 -6.9211 -5.9052 -5.9052 1.7228 1.7228 6.7741 6.7741 7.1592 7.1592 7.2663 7.2663 7.7159 7.7159 9.0310 9.0310 9.3533 9.3533 9.5076 9.5076 9.7650 9.7650 15.9748 15.9748 16.0533 16.0533 16.2541 16.2541 16.6474 16.6474 k = 0.2807 0.5000 0.2807 ( 2284 PWs) bands (ev): -29.2935 -29.2935 -10.6103 -10.6103 -10.4576 -10.4576 -10.3416 -10.3416 -10.2228 -10.2228 -10.1078 -10.1078 -9.3123 -9.3123 -9.2275 -9.2275 -8.9095 -8.9095 -7.0535 -7.0535 -6.9216 -6.9216 -5.8346 -5.8346 1.8116 1.8116 6.7727 6.7727 7.1798 7.1798 7.2851 7.2851 7.5877 7.5877 8.9818 8.9818 9.3101 9.3101 9.4738 9.4738 9.7367 9.7367 16.0178 16.0178 16.0743 16.0743 16.3011 16.3011 16.6228 16.6228 k = 0.2719 0.5000 0.2719 ( 2284 PWs) bands (ev): -29.2938 -29.2938 -10.6131 -10.6131 -10.4750 -10.4750 -10.3523 -10.3523 -10.2197 -10.2197 -10.1085 -10.1085 -9.3182 -9.3182 -9.2328 -9.2328 -8.9087 -8.9087 -7.0579 -7.0579 -6.9226 -6.9226 -5.7633 -5.7633 1.9027 1.9027 6.7725 6.7725 7.2014 7.2014 7.3009 7.3009 7.4611 7.4611 8.9327 8.9327 9.2674 9.2674 9.4399 9.4399 9.7071 9.7071 16.0603 16.0603 16.0930 16.0930 16.3472 16.3472 16.5980 16.5980 k = 0.2632 0.5000 0.2632 ( 2286 PWs) bands (ev): -29.2941 -29.2941 -10.6163 -10.6163 -10.4929 -10.4929 -10.3627 -10.3627 -10.2163 -10.2163 -10.1090 -10.1090 -9.3236 -9.3236 -9.2379 -9.2379 -8.9078 -8.9078 -7.0623 -7.0623 -6.9240 -6.9240 -5.6915 -5.6915 1.9958 1.9958 6.7734 6.7734 7.2238 7.2238 7.2975 7.2975 7.3521 7.3521 8.8843 8.8843 9.2253 9.2253 9.4061 9.4061 9.6765 9.6765 16.0979 16.0979 16.1138 16.1138 16.3923 16.3923 16.5730 16.5730 k = 0.2544 0.5000 0.2544 ( 2278 PWs) bands (ev): -29.2943 -29.2943 -10.6199 -10.6199 -10.5110 -10.5110 -10.3726 -10.3726 -10.2126 -10.2126 -10.1092 -10.1092 -9.3287 -9.3287 -9.2429 -9.2429 -8.9068 -8.9068 -7.0665 -7.0665 -6.9259 -6.9259 -5.6193 -5.6193 2.0909 2.0909 6.7755 6.7755 7.1939 7.1939 7.2479 7.2479 7.3405 7.3405 8.8371 8.8371 9.1839 9.1839 9.3725 9.3725 9.6447 9.6447 16.1167 16.1167 16.1508 16.1508 16.4363 16.4363 16.5481 16.5481 k = 0.2456 0.5000 0.2456 ( 2278 PWs) bands (ev): -29.2946 -29.2946 -10.6241 -10.6241 -10.5293 -10.5293 -10.3821 -10.3821 -10.2087 -10.2087 -10.1092 -10.1092 -9.3334 -9.3334 -9.2476 -9.2476 -8.9058 -8.9058 -7.0705 -7.0705 -6.9281 -6.9281 -5.5470 -5.5470 2.1878 2.1878 6.7786 6.7786 7.0700 7.0700 7.2720 7.2720 7.3481 7.3481 8.7916 8.7916 9.1433 9.1433 9.3392 9.3392 9.6118 9.6118 16.1278 16.1278 16.1925 16.1925 16.4791 16.4791 16.5231 16.5231 k = 0.2368 0.5000 0.2368 ( 2282 PWs) bands (ev): -29.2949 -29.2949 -10.6289 -10.6289 -10.5475 -10.5475 -10.3911 -10.3911 -10.2048 -10.2048 -10.1090 -10.1090 -9.3377 -9.3377 -9.2521 -9.2521 -8.9048 -8.9048 -7.0744 -7.0744 -6.9308 -6.9308 -5.4747 -5.4747 2.2864 2.2864 6.7820 6.7820 6.9461 6.9461 7.2973 7.2973 7.3533 7.3533 8.7487 8.7487 9.1037 9.1037 9.3061 9.3061 9.5778 9.5778 16.1359 16.1359 16.2344 16.2344 16.4979 16.4979 16.5212 16.5212 k = 0.2281 0.5000 0.2281 ( 2280 PWs) bands (ev): -29.2951 -29.2951 -10.6342 -10.6342 -10.5657 -10.5657 -10.3994 -10.3994 -10.2008 -10.2008 -10.1087 -10.1087 -9.3416 -9.3416 -9.2565 -9.2565 -8.9037 -8.9037 -7.0782 -7.0782 -6.9339 -6.9339 -5.4025 -5.4025 2.3866 2.3866 6.7779 6.7779 6.8320 6.8320 7.3235 7.3235 7.3542 7.3542 8.7090 8.7090 9.0650 9.0650 9.2735 9.2735 9.5428 9.5428 16.1419 16.1419 16.2760 16.2760 16.4734 16.4734 16.5615 16.5615 k = 0.2193 0.5000 0.2193 ( 2280 PWs) bands (ev): -29.2954 -29.2954 -10.6401 -10.6401 -10.5836 -10.5836 -10.4071 -10.4071 -10.1967 -10.1967 -10.1081 -10.1081 -9.3451 -9.3451 -9.2605 -9.2605 -8.9025 -8.9025 -7.0818 -7.0818 -6.9374 -6.9374 -5.3307 -5.3307 2.4883 2.4883 6.6901 6.6901 6.8041 6.8041 7.3489 7.3489 7.3514 7.3514 8.6733 8.6733 9.0274 9.0274 9.2414 9.2414 9.5067 9.5067 16.1459 16.1459 16.3169 16.3169 16.4492 16.4492 16.6007 16.6007 k = 0.2105 0.5000 0.2105 ( 2282 PWs) bands (ev): -29.2957 -29.2957 -10.6466 -10.6466 -10.6012 -10.6012 -10.4142 -10.4142 -10.1927 -10.1927 -10.1074 -10.1074 -9.3483 -9.3483 -9.2644 -9.2644 -8.9013 -8.9013 -7.0852 -7.0852 -6.9412 -6.9412 -5.2593 -5.2593 2.5914 2.5914 6.5718 6.5718 6.8099 6.8099 7.3387 7.3387 7.3789 7.3789 8.6424 8.6424 8.9910 8.9910 9.2099 9.2099 9.4697 9.4697 16.1483 16.1483 16.3570 16.3570 16.4253 16.4253 16.6386 16.6386 k = 0.2018 0.5000 0.2018 ( 2278 PWs) bands (ev): -29.2959 -29.2959 -10.6537 -10.6537 -10.6184 -10.6184 -10.4206 -10.4206 -10.1886 -10.1886 -10.1066 -10.1066 -9.3512 -9.3512 -9.2680 -9.2680 -8.9001 -8.9001 -7.0885 -7.0885 -6.9454 -6.9454 -5.1886 -5.1886 2.6957 2.6957 6.4536 6.4536 6.8186 6.8186 7.3209 7.3209 7.4080 7.4080 8.6166 8.6166 8.9559 8.9559 9.1791 9.1791 9.4317 9.4317 16.1493 16.1493 16.3952 16.3952 16.4029 16.4029 16.6752 16.6752 k = 0.1930 0.5000 0.1930 ( 2274 PWs) bands (ev): -29.2962 -29.2962 -10.6613 -10.6613 -10.6351 -10.6351 -10.4263 -10.4263 -10.1846 -10.1846 -10.1056 -10.1056 -9.3538 -9.3538 -9.2714 -9.2714 -8.8989 -8.8989 -7.0916 -7.0916 -6.9499 -6.9499 -5.1187 -5.1187 2.8010 2.8010 6.3374 6.3374 6.8286 6.8286 7.2956 7.2956 7.4379 7.4379 8.5966 8.5966 8.9220 8.9220 9.1490 9.1490 9.3928 9.3928 16.1489 16.1489 16.3785 16.3785 16.4350 16.4350 16.7105 16.7105 k = 0.1842 0.5000 0.1842 ( 2270 PWs) bands (ev): -29.2964 -29.2964 -10.6696 -10.6696 -10.6510 -10.6510 -10.4314 -10.4314 -10.1807 -10.1807 -10.1045 -10.1045 -9.3561 -9.3561 -9.2746 -9.2746 -8.8976 -8.8976 -7.0945 -7.0945 -6.9548 -6.9548 -5.0499 -5.0499 2.9074 2.9074 6.2238 6.2238 6.8398 6.8398 7.2627 7.2627 7.4687 7.4687 8.5824 8.5824 8.8895 8.8895 9.1197 9.1197 9.3531 9.3531 16.1475 16.1475 16.3563 16.3563 16.4723 16.4723 16.7444 16.7444 k = 0.1754 0.5000 0.1754 ( 2260 PWs) bands (ev): -29.2967 -29.2967 -10.6789 -10.6789 -10.6658 -10.6658 -10.4358 -10.4358 -10.1769 -10.1769 -10.1033 -10.1033 -9.3582 -9.3582 -9.2775 -9.2775 -8.8964 -8.8964 -7.0972 -7.0972 -6.9598 -6.9598 -4.9823 -4.9823 3.0147 3.0147 6.1130 6.1130 6.8517 6.8517 7.2222 7.2222 7.5005 7.5005 8.5740 8.5740 8.8584 8.8584 9.0913 9.0913 9.3125 9.3125 16.1451 16.1451 16.3347 16.3347 16.5086 16.5086 16.7762 16.7762 k = 0.1667 0.5000 0.1667 ( 2260 PWs) bands (ev): -29.2969 -29.2969 -10.6897 -10.6897 -10.6788 -10.6788 -10.4397 -10.4397 -10.1732 -10.1732 -10.1020 -10.1020 -9.3600 -9.3600 -9.2802 -9.2802 -8.8951 -8.8951 -7.0998 -7.0998 -6.9651 -6.9651 -4.9162 -4.9162 3.1227 3.1227 6.0054 6.0054 6.8642 6.8642 7.1744 7.1744 7.5330 7.5330 8.5710 8.5710 8.8288 8.8288 9.0639 9.0639 9.2712 9.2712 16.1420 16.1420 16.3138 16.3138 16.5436 16.5436 16.7429 16.7429 k = 0.1579 0.5000 0.1579 ( 2260 PWs) bands (ev): -29.2972 -29.2972 -10.7023 -10.7023 -10.6896 -10.6896 -10.4431 -10.4431 -10.1696 -10.1696 -10.1007 -10.1007 -9.3615 -9.3615 -9.2827 -9.2827 -8.8938 -8.8938 -7.1023 -7.1023 -6.9705 -6.9705 -4.8516 -4.8516 3.2314 3.2314 5.9013 5.9013 6.8770 6.8770 7.1198 7.1198 7.5664 7.5664 8.5729 8.5729 8.8007 8.8007 9.0375 9.0375 9.2292 9.2292 16.1381 16.1381 16.2936 16.2936 16.5773 16.5773 16.6978 16.6978 k = 0.1491 0.5000 0.1491 ( 2272 PWs) bands (ev): -29.2974 -29.2974 -10.7154 -10.7154 -10.6992 -10.6992 -10.4460 -10.4460 -10.1663 -10.1663 -10.0994 -10.0994 -9.3629 -9.3629 -9.2850 -9.2850 -8.8925 -8.8925 -7.1045 -7.1045 -6.9761 -6.9761 -4.7889 -4.7889 3.3405 3.3405 5.8009 5.8009 6.8897 6.8897 7.0594 7.0594 7.6006 7.6006 8.5791 8.5791 8.7742 8.7742 9.0122 9.0122 9.1867 9.1867 16.1337 16.1337 16.2742 16.2742 16.6093 16.6093 16.6511 16.6511 k = 0.1404 0.5000 0.1404 ( 2276 PWs) bands (ev): -29.2976 -29.2976 -10.7285 -10.7285 -10.7083 -10.7083 -10.4485 -10.4485 -10.1631 -10.1631 -10.0980 -10.0980 -9.3640 -9.3640 -9.2871 -9.2871 -8.8912 -8.8912 -7.1066 -7.1066 -6.9817 -6.9817 -4.7283 -4.7283 3.4500 3.4500 5.7045 5.7045 6.9006 6.9006 6.9954 6.9954 7.6355 7.6355 8.5889 8.5889 8.7492 8.7492 8.9880 8.9880 9.1436 9.1436 16.1288 16.1288 16.2558 16.2558 16.6025 16.6025 16.6410 16.6410 k = 0.1316 0.5000 0.1316 ( 2276 PWs) bands (ev): -29.2978 -29.2978 -10.7410 -10.7410 -10.7170 -10.7170 -10.4506 -10.4506 -10.1600 -10.1600 -10.0965 -10.0965 -9.3650 -9.3650 -9.2889 -9.2889 -8.8899 -8.8899 -7.1086 -7.1086 -6.9874 -6.9874 -4.6698 -4.6698 3.5596 3.5596 5.6123 5.6123 6.8945 6.8945 6.9434 6.9434 7.6711 7.6711 8.6015 8.6015 8.7258 8.7258 8.9650 8.9650 9.1001 9.1001 16.1237 16.1237 16.2383 16.2383 16.5544 16.5544 16.6700 16.6700 k = 0.1228 0.5000 0.1228 ( 2268 PWs) bands (ev): -29.2980 -29.2980 -10.7529 -10.7529 -10.7254 -10.7254 -10.4523 -10.4523 -10.1571 -10.1571 -10.0951 -10.0951 -9.3658 -9.3658 -9.2906 -9.2906 -8.8887 -8.8887 -7.1104 -7.1104 -6.9930 -6.9930 -4.6139 -4.6139 3.6692 3.6692 5.5247 5.5247 6.8340 6.8340 6.9415 6.9415 7.7074 7.7074 8.6163 8.6163 8.7040 8.7040 8.9433 8.9433 9.0562 9.0562 16.1183 16.1183 16.2219 16.2219 16.5062 16.5062 16.6975 16.6975 k = 0.1140 0.5000 0.1140 ( 2276 PWs) bands (ev): -29.2982 -29.2982 -10.7641 -10.7641 -10.7336 -10.7336 -10.4538 -10.4538 -10.1545 -10.1545 -10.0936 -10.0936 -9.3664 -9.3664 -9.2921 -9.2921 -8.8875 -8.8875 -7.1121 -7.1121 -6.9985 -6.9985 -4.5606 -4.5606 3.7787 3.7787 5.4419 5.4419 6.7563 6.7563 6.9528 6.9528 7.7442 7.7442 8.6326 8.6326 8.6838 8.6838 8.9229 8.9229 9.0121 9.0121 16.1126 16.1126 16.2064 16.2064 16.4588 16.4588 16.7229 16.7229 k = 0.1053 0.5000 0.1053 ( 2280 PWs) bands (ev): -29.2984 -29.2984 -10.7746 -10.7746 -10.7414 -10.7414 -10.4550 -10.4550 -10.1521 -10.1521 -10.0922 -10.0922 -9.3670 -9.3670 -9.2935 -9.2935 -8.8864 -8.8864 -7.1136 -7.1136 -7.0039 -7.0039 -4.5102 -4.5102 3.8876 3.8876 5.3641 5.3641 6.6738 6.6738 6.9654 6.9654 7.7815 7.7815 8.6499 8.6499 8.6652 8.6652 8.9039 8.9039 8.9679 8.9679 16.1066 16.1066 16.1919 16.1919 16.4127 16.4127 16.7462 16.7462 k = 0.0965 0.5000 0.0965 ( 2284 PWs) bands (ev): -29.2986 -29.2986 -10.7843 -10.7843 -10.7488 -10.7488 -10.4561 -10.4561 -10.1498 -10.1498 -10.0908 -10.0908 -9.3674 -9.3674 -9.2947 -9.2947 -8.8853 -8.8853 -7.1149 -7.1149 -7.0091 -7.0091 -4.4629 -4.4629 3.9959 3.9959 5.2917 5.2917 6.5883 6.5883 6.9781 6.9781 7.8192 7.8192 8.6482 8.6482 8.6675 8.6675 8.8863 8.8863 8.9238 8.9238 16.1005 16.1005 16.1785 16.1785 16.3686 16.3686 16.7671 16.7671 k = 0.0877 0.5000 0.0877 ( 2280 PWs) bands (ev): -29.2987 -29.2987 -10.7933 -10.7933 -10.7556 -10.7556 -10.4569 -10.4569 -10.1478 -10.1478 -10.0895 -10.0895 -9.3677 -9.3677 -9.2957 -9.2957 -8.8842 -8.8842 -7.1162 -7.1162 -7.0140 -7.0140 -4.4188 -4.4188 4.1030 4.1030 5.2250 5.2250 6.5007 6.5007 6.9903 6.9903 7.8571 7.8571 8.6328 8.6328 8.6851 8.6851 8.8701 8.8701 8.8799 8.8799 16.0943 16.0943 16.1662 16.1662 16.3272 16.3272 16.7853 16.7853 k = 0.0789 0.5000 0.0789 ( 2292 PWs) bands (ev): -29.2989 -29.2989 -10.8014 -10.8014 -10.7620 -10.7620 -10.4576 -10.4576 -10.1460 -10.1460 -10.0882 -10.0882 -9.3680 -9.3680 -9.2967 -9.2967 -8.8833 -8.8833 -7.1173 -7.1173 -7.0187 -7.0187 -4.3783 -4.3783 4.2085 4.2085 5.1642 5.1642 6.4118 6.4118 7.0019 7.0019 7.8950 7.8950 8.6189 8.6189 8.7021 8.7021 8.8365 8.8365 8.8555 8.8555 16.0876 16.0876 16.1549 16.1549 16.2888 16.2888 16.8004 16.8004 k = 0.0702 0.5000 0.0702 ( 2288 PWs) bands (ev): -29.2990 -29.2990 -10.8087 -10.8087 -10.7679 -10.7679 -10.4581 -10.4581 -10.1443 -10.1443 -10.0870 -10.0870 -9.3682 -9.3682 -9.2974 -9.2974 -8.8824 -8.8824 -7.1183 -7.1183 -7.0230 -7.0230 -4.3415 -4.3415 4.3117 4.3117 5.1097 5.1097 6.3224 6.3224 7.0127 7.0127 7.9328 7.9328 8.6065 8.6065 8.7181 8.7181 8.7939 8.7939 8.8424 8.8424 16.0806 16.0806 16.1448 16.1448 16.2544 16.2544 16.8123 16.8123 k = 0.0614 0.5000 0.0614 ( 2292 PWs) bands (ev): -29.2991 -29.2991 -10.8152 -10.8152 -10.7731 -10.7731 -10.4585 -10.4585 -10.1429 -10.1429 -10.0859 -10.0859 -9.3683 -9.3683 -9.2981 -9.2981 -8.8816 -8.8816 -7.1191 -7.1191 -7.0269 -7.0269 -4.3085 -4.3085 4.4115 4.4115 5.0621 5.0621 6.2334 6.2334 7.0225 7.0225 7.9700 7.9700 8.5956 8.5956 8.7328 8.7328 8.7524 8.7524 8.8310 8.8310 16.0731 16.0731 16.1358 16.1358 16.2242 16.2242 16.8210 16.8210 k = 0.0526 0.5000 0.0526 ( 2288 PWs) bands (ev): -29.2992 -29.2992 -10.8209 -10.8209 -10.7777 -10.7777 -10.4589 -10.4589 -10.1417 -10.1417 -10.0849 -10.0849 -9.3684 -9.3684 -9.2987 -9.2987 -8.8809 -8.8809 -7.1199 -7.1199 -7.0303 -7.0303 -4.2796 -4.2796 4.5067 4.5067 5.0218 5.0218 6.1459 6.1459 7.0312 7.0312 8.0062 8.0062 8.5860 8.5860 8.7125 8.7125 8.7459 8.7459 8.8213 8.8213 16.0650 16.0650 16.1279 16.1279 16.1990 16.1990 16.8266 16.8266 k = 0.0439 0.5000 0.0439 ( 2288 PWs) bands (ev): -29.2993 -29.2993 -10.8257 -10.8257 -10.7816 -10.7816 -10.4591 -10.4591 -10.1406 -10.1406 -10.0841 -10.0841 -9.3685 -9.3685 -9.2991 -9.2991 -8.8802 -8.8802 -7.1205 -7.1205 -7.0333 -7.0333 -4.2548 -4.2548 4.5947 4.5947 4.9899 4.9899 6.0617 6.0617 7.0388 7.0388 8.0408 8.0408 8.5777 8.5777 8.6752 8.6752 8.7568 8.7568 8.8136 8.8136 16.0565 16.0565 16.1211 16.1211 16.1787 16.1787 16.8295 16.8295 k = 0.0351 0.5000 0.0351 ( 2280 PWs) bands (ev): -29.2993 -29.2993 -10.8296 -10.8296 -10.7849 -10.7849 -10.4593 -10.4593 -10.1398 -10.1398 -10.0833 -10.0833 -9.3685 -9.3685 -9.2995 -9.2995 -8.8797 -8.8797 -7.1210 -7.1210 -7.0358 -7.0358 -4.2344 -4.2344 4.6719 4.6719 4.9682 4.9682 5.9829 5.9829 7.0450 7.0450 8.0728 8.0728 8.5702 8.5702 8.6416 8.6416 8.7652 8.7652 8.8081 8.8081 16.0481 16.0481 16.1156 16.1156 16.1633 16.1633 16.8304 16.8304 k = 0.0263 0.5000 0.0263 ( 2280 PWs) bands (ev): -29.2994 -29.2994 -10.8326 -10.8326 -10.7874 -10.7874 -10.4594 -10.4594 -10.1391 -10.1391 -10.0828 -10.0828 -9.3685 -9.3685 -9.2998 -9.2998 -8.8793 -8.8793 -7.1214 -7.1214 -7.0378 -7.0378 -4.2184 -4.2184 4.7327 4.7327 4.9591 4.9591 5.9128 5.9128 7.0500 7.0500 8.1009 8.1009 8.5631 8.5631 8.6136 8.6136 8.7708 8.7708 8.8050 8.8050 16.0403 16.0403 16.1112 16.1112 16.1523 16.1523 16.8301 16.8301 k = 0.0175 0.5000 0.0175 ( 2272 PWs) bands (ev): -29.2994 -29.2994 -10.8348 -10.8348 -10.7892 -10.7892 -10.4595 -10.4595 -10.1386 -10.1386 -10.0823 -10.0823 -9.3685 -9.3685 -9.3000 -9.3000 -8.8790 -8.8790 -7.1217 -7.1217 -7.0392 -7.0392 -4.2069 -4.2069 4.7718 4.7718 4.9636 4.9636 5.8561 5.8561 7.0536 7.0536 8.1233 8.1233 8.5556 8.5556 8.5936 8.5936 8.7736 8.7736 8.8040 8.8040 16.0341 16.0341 16.1080 16.1080 16.1452 16.1452 16.8293 16.8293 k = 0.0088 0.5000 0.0088 ( 2272 PWs) bands (ev): -29.2994 -29.2994 -10.8361 -10.8361 -10.7903 -10.7903 -10.4595 -10.4595 -10.1383 -10.1383 -10.0821 -10.0821 -9.3685 -9.3685 -9.3001 -9.3001 -8.8789 -8.8789 -7.1218 -7.1218 -7.0401 -7.0401 -4.1999 -4.1999 4.7904 4.7904 4.9748 4.9748 5.8183 5.8183 7.0558 7.0558 8.1380 8.1380 8.5486 8.5486 8.5829 8.5829 8.7746 8.7746 8.8041 8.8041 16.0300 16.0300 16.1061 16.1061 16.1411 16.1411 16.8286 16.8286 k = 0.0000 0.5000-0.0000 ( 2272 PWs) bands (ev): -29.2995 -29.2995 -10.8366 -10.8366 -10.7907 -10.7907 -10.4596 -10.4596 -10.1382 -10.1382 -10.0820 -10.0820 -9.3685 -9.3685 -9.3001 -9.3001 -8.8788 -8.8788 -7.1219 -7.1219 -7.0404 -7.0404 -4.1976 -4.1976 4.7954 4.7954 4.9805 4.9805 5.8050 5.8050 7.0565 7.0565 8.1432 8.1432 8.5455 8.5455 8.5798 8.5798 8.7748 8.7748 8.8042 8.8042 16.0286 16.0286 16.1055 16.1055 16.1398 16.1398 16.8283 16.8283 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -29.2944 -29.2944 -10.6838 -10.6838 -10.6077 -10.6077 -10.2834 -10.2834 -10.1564 -10.1564 -10.1245 -10.1245 -9.3828 -9.3828 -9.1406 -9.1406 -8.9146 -8.9146 -6.8754 -6.8754 -6.8428 -6.8428 -6.0339 -6.0339 3.2878 3.2878 5.4281 5.4281 6.3770 6.3770 7.9297 7.9297 7.9563 7.9563 8.2467 8.2467 8.2580 8.2580 9.6979 9.6979 10.0031 10.0031 16.1439 16.1439 16.4249 16.4249 17.0921 17.0921 17.1002 17.1003 k = 0.5000 0.5000 0.0122 ( 2296 PWs) bands (ev): -29.2944 -29.2944 -10.6831 -10.6831 -10.6077 -10.6077 -10.2834 -10.2834 -10.1571 -10.1571 -10.1239 -10.1239 -9.3827 -9.3827 -9.1406 -9.1406 -8.9146 -8.9146 -6.8756 -6.8756 -6.8429 -6.8429 -6.0349 -6.0349 3.2764 3.2764 5.4414 5.4414 6.3777 6.3777 7.9210 7.9210 7.9471 7.9471 8.2564 8.2564 8.2682 8.2682 9.6979 9.6979 10.0033 10.0033 16.1430 16.1430 16.4256 16.4256 17.0886 17.0886 17.0966 17.0966 k = 0.5000 0.5000 0.0244 ( 2280 PWs) bands (ev): -29.2944 -29.2944 -10.6808 -10.6808 -10.6076 -10.6076 -10.2831 -10.2831 -10.1590 -10.1590 -10.1222 -10.1222 -9.3822 -9.3822 -9.1405 -9.1405 -8.9146 -8.9146 -6.8760 -6.8760 -6.8433 -6.8433 -6.0379 -6.0379 3.2433 3.2433 5.4803 5.4803 6.3800 6.3800 7.8975 7.8975 7.9225 7.9225 8.2829 8.2829 8.2958 8.2958 9.6980 9.6980 10.0037 10.0037 16.1402 16.1402 16.4280 16.4280 17.0784 17.0784 17.0859 17.0859 k = 0.5000 0.5000 0.0366 ( 2272 PWs) bands (ev): -29.2943 -29.2943 -10.6770 -10.6770 -10.6074 -10.6074 -10.2827 -10.2827 -10.1620 -10.1620 -10.1198 -10.1198 -9.3814 -9.3814 -9.1404 -9.1404 -8.9146 -8.9146 -6.8768 -6.8768 -6.8440 -6.8440 -6.0429 -6.0429 3.1905 3.1905 5.5424 5.5424 6.3838 6.3838 7.8645 7.8645 7.8883 7.8883 8.3210 8.3210 8.3350 8.3350 9.6982 9.6982 10.0043 10.0043 16.1358 16.1358 16.4315 16.4315 17.0614 17.0614 17.0680 17.0680 k = 0.5000 0.5000 0.0488 ( 2272 PWs) bands (ev): -29.2943 -29.2943 -10.6717 -10.6717 -10.6072 -10.6072 -10.2821 -10.2821 -10.1656 -10.1656 -10.1170 -10.1170 -9.3803 -9.3803 -9.1402 -9.1402 -8.9147 -8.9147 -6.8778 -6.8778 -6.8449 -6.8449 -6.0499 -6.0499 3.1215 3.1215 5.6246 5.6246 6.3890 6.3890 7.8262 7.8262 7.8489 7.8489 8.3664 8.3664 8.3814 8.3814 9.6984 9.6984 10.0052 10.0052 16.1295 16.1295 16.4364 16.4364 17.0379 17.0379 17.0434 17.0434 k = 0.5000 0.5000 0.0610 ( 2264 PWs) bands (ev): -29.2942 -29.2942 -10.6650 -10.6650 -10.6069 -10.6069 -10.2813 -10.2813 -10.1698 -10.1698 -10.1138 -10.1138 -9.3788 -9.3788 -9.1399 -9.1399 -8.9147 -8.9147 -6.8792 -6.8792 -6.8461 -6.8461 -6.0589 -6.0589 3.0394 3.0394 5.7235 5.7235 6.3958 6.3958 7.7851 7.7851 7.8069 7.8069 8.4165 8.4165 8.4323 8.4323 9.6986 9.6986 10.0063 10.0063 16.1216 16.1216 16.4427 16.4427 17.0084 17.0084 17.0125 17.0125 k = 0.5000 0.5000 0.0732 ( 2264 PWs) bands (ev): -29.2941 -29.2941 -10.6568 -10.6568 -10.6066 -10.6066 -10.2804 -10.2804 -10.1742 -10.1742 -10.1106 -10.1106 -9.3770 -9.3770 -9.1396 -9.1396 -8.9147 -8.9147 -6.8808 -6.8808 -6.8475 -6.8475 -6.0699 -6.0699 2.9475 2.9475 5.8358 5.8358 6.4039 6.4039 7.7427 7.7427 7.7639 7.7639 8.4699 8.4699 8.4863 8.4863 9.6989 9.6989 10.0077 10.0077 16.1117 16.1117 16.4502 16.4502 16.9734 16.9734 16.9759 16.9759 k = 0.5000 0.5000 0.0854 ( 2280 PWs) bands (ev): -29.2941 -29.2941 -10.6473 -10.6473 -10.6063 -10.6063 -10.2794 -10.2794 -10.1790 -10.1790 -10.1073 -10.1073 -9.3749 -9.3749 -9.1392 -9.1392 -8.9148 -8.9148 -6.8827 -6.8827 -6.8492 -6.8492 -6.0828 -6.0828 2.8485 2.8485 5.9589 5.9589 6.4134 6.4134 7.7000 7.7000 7.7205 7.7205 8.5254 8.5254 8.5423 8.5423 9.6993 9.6993 10.0093 10.0093 16.1000 16.1000 16.4592 16.4592 16.9332 16.9332 16.9340 16.9340 k = 0.5000 0.5000 0.0976 ( 2280 PWs) bands (ev): -29.2940 -29.2940 -10.6364 -10.6364 -10.6059 -10.6059 -10.2782 -10.2782 -10.1838 -10.1838 -10.1041 -10.1041 -9.3724 -9.3724 -9.1388 -9.1388 -8.9148 -8.9148 -6.8848 -6.8848 -6.8511 -6.8511 -6.0976 -6.0976 2.7445 2.7445 6.0904 6.0904 6.4243 6.4243 7.6575 7.6575 7.6775 7.6775 8.5827 8.5827 8.6000 8.6000 9.6996 9.6996 10.0112 10.0112 16.0866 16.0866 16.4693 16.4693 16.8875 16.8875 16.8886 16.8886 k = 0.5000 0.5000 0.1098 ( 2280 PWs) bands (ev): -29.2939 -29.2939 -10.6242 -10.6242 -10.6055 -10.6055 -10.2767 -10.2767 -10.1888 -10.1888 -10.1009 -10.1009 -9.3695 -9.3695 -9.1384 -9.1384 -8.9149 -8.9149 -6.8873 -6.8873 -6.8533 -6.8533 -6.1143 -6.1143 2.6373 2.6373 6.2284 6.2284 6.4364 6.4364 7.6156 7.6156 7.6350 7.6350 8.6413 8.6413 8.6589 8.6589 9.7001 9.7001 10.0132 10.0132 16.0716 16.0716 16.4808 16.4808 16.8371 16.8371 16.8401 16.8401 k = 0.5000 0.5000 0.1220 ( 2280 PWs) bands (ev): -29.2937 -29.2937 -10.6108 -10.6108 -10.6050 -10.6050 -10.2751 -10.2751 -10.1939 -10.1939 -10.0977 -10.0977 -9.3663 -9.3663 -9.1379 -9.1379 -8.9149 -8.9149 -6.8899 -6.8899 -6.8556 -6.8556 -6.1329 -6.1329 2.5284 2.5284 6.3715 6.3715 6.4498 6.4498 7.5744 7.5744 7.5933 7.5933 8.7009 8.7009 8.7187 8.7187 9.7005 9.7005 10.0155 10.0155 16.0549 16.0549 16.4933 16.4933 16.7831 16.7831 16.7882 16.7882 k = 0.5000 0.5000 0.1341 ( 2288 PWs) bands (ev): -29.2936 -29.2936 -10.6046 -10.6046 -10.5963 -10.5963 -10.2733 -10.2733 -10.1991 -10.1991 -10.0946 -10.0946 -9.3626 -9.3626 -9.1374 -9.1374 -8.9150 -8.9150 -6.8928 -6.8928 -6.8582 -6.8582 -6.1532 -6.1532 2.4188 2.4188 6.4643 6.4643 6.5183 6.5183 7.5341 7.5341 7.5525 7.5525 8.7612 8.7612 8.7793 8.7793 9.7010 9.7010 10.0179 10.0179 16.0365 16.0365 16.5069 16.5069 16.7261 16.7261 16.7333 16.7333 k = 0.5000 0.5000 0.1463 ( 2284 PWs) bands (ev): -29.2935 -29.2935 -10.6041 -10.6041 -10.5807 -10.5807 -10.2713 -10.2713 -10.2042 -10.2042 -10.0916 -10.0916 -9.3586 -9.3586 -9.1368 -9.1368 -8.9151 -8.9151 -6.8959 -6.8959 -6.8609 -6.8609 -6.1753 -6.1753 2.3094 2.3094 6.4799 6.4799 6.6678 6.6678 7.4949 7.4949 7.5128 7.5128 8.8222 8.8222 8.8404 8.8404 9.7016 9.7016 10.0205 10.0205 16.0166 16.0166 16.5218 16.5218 16.6667 16.6667 16.6760 16.6760 k = 0.5000 0.5000 0.1585 ( 2300 PWs) bands (ev): -29.2933 -29.2933 -10.6036 -10.6036 -10.5643 -10.5643 -10.2690 -10.2690 -10.2095 -10.2095 -10.0888 -10.0888 -9.3541 -9.3541 -9.1362 -9.1362 -8.9151 -8.9151 -6.8992 -6.8992 -6.8638 -6.8638 -6.1992 -6.1992 2.2010 2.2010 6.4965 6.4965 6.8192 6.8192 7.4569 7.4569 7.4741 7.4741 8.8836 8.8836 8.9019 8.9019 9.7021 9.7021 10.0233 10.0233 15.9951 15.9951 16.5372 16.5372 16.6050 16.6050 16.6168 16.6168 k = 0.5000 0.5000 0.1707 ( 2300 PWs) bands (ev): -29.2932 -29.2932 -10.6031 -10.6031 -10.5470 -10.5470 -10.2665 -10.2665 -10.2147 -10.2147 -10.0860 -10.0860 -9.3493 -9.3493 -9.1356 -9.1356 -8.9152 -8.9152 -6.9027 -6.9027 -6.8668 -6.8668 -6.2246 -6.2246 2.0942 2.0942 6.5140 6.5140 6.9714 6.9714 7.4204 7.4204 7.4367 7.4367 8.9453 8.9453 8.9636 8.9636 9.7027 9.7027 10.0262 10.0262 15.9722 15.9722 16.5418 16.5418 16.5461 16.5461 16.5636 16.5636 k = 0.5000 0.5000 0.1829 ( 2300 PWs) bands (ev): -29.2930 -29.2930 -10.6026 -10.6026 -10.5291 -10.5291 -10.2636 -10.2636 -10.2198 -10.2198 -10.0833 -10.0833 -9.3439 -9.3439 -9.1349 -9.1349 -8.9153 -8.9153 -6.9063 -6.9063 -6.8700 -6.8700 -6.2516 -6.2516 1.9893 1.9893 6.5323 6.5323 7.1232 7.1232 7.3859 7.3859 7.4004 7.4004 9.0071 9.0071 9.0255 9.0255 9.7034 9.7034 10.0293 10.0293 15.9480 15.9480 16.4775 16.4775 16.4913 16.4913 16.5737 16.5737 k = 0.5000 0.5000 0.1951 ( 2300 PWs) bands (ev): -29.2928 -29.2928 -10.6020 -10.6020 -10.5106 -10.5106 -10.2603 -10.2603 -10.2249 -10.2249 -10.0807 -10.0807 -9.3381 -9.3381 -9.1343 -9.1343 -8.9154 -8.9154 -6.9101 -6.9101 -6.8733 -6.8733 -6.2800 -6.2800 1.8869 1.8869 6.5513 6.5513 7.2684 7.2684 7.3593 7.3593 7.3654 7.3654 9.0689 9.0689 9.0872 9.0872 9.7040 9.7040 10.0325 10.0325 15.9224 15.9224 16.4123 16.4123 16.4286 16.4286 16.5918 16.5918 k = 0.5000 0.5000 0.2073 ( 2300 PWs) bands (ev): -29.2926 -29.2926 -10.6015 -10.6015 -10.4919 -10.4919 -10.2566 -10.2566 -10.2300 -10.2300 -10.0782 -10.0782 -9.3318 -9.3318 -9.1336 -9.1336 -8.9154 -8.9154 -6.9140 -6.9140 -6.8767 -6.8767 -6.3099 -6.3099 1.7871 1.7871 6.5709 6.5709 7.3068 7.3068 7.3317 7.3317 7.4401 7.4401 9.1305 9.1305 9.1488 9.1488 9.7048 9.7048 10.0358 10.0358 15.8957 15.8957 16.3465 16.3465 16.3648 16.3648 16.6109 16.6109 k = 0.5000 0.5000 0.2195 ( 2300 PWs) bands (ev): -29.2925 -29.2925 -10.6010 -10.6010 -10.4730 -10.4730 -10.2524 -10.2524 -10.2350 -10.2350 -10.0758 -10.0758 -9.3249 -9.3249 -9.1329 -9.1329 -8.9155 -8.9155 -6.9179 -6.9179 -6.8802 -6.8802 -6.3409 -6.3409 1.6904 1.6904 6.5910 6.5910 7.2789 7.2789 7.2993 7.2993 7.5872 7.5872 9.1918 9.1918 9.2100 9.2100 9.7055 9.7055 10.0391 10.0391 15.8678 15.8678 16.2806 16.2806 16.3009 16.3009 16.6307 16.6307 k = 0.5000 0.5000 0.2317 ( 2292 PWs) bands (ev): -29.2923 -29.2923 -10.6005 -10.6005 -10.4543 -10.4543 -10.2476 -10.2476 -10.2398 -10.2398 -10.0735 -10.0735 -9.3176 -9.3176 -9.1323 -9.1323 -8.9156 -8.9156 -6.9220 -6.9220 -6.8837 -6.8837 -6.3732 -6.3732 1.5970 1.5970 6.6115 6.6115 7.2492 7.2492 7.2683 7.2683 7.7359 7.7359 9.2526 9.2526 9.2707 9.2707 9.7062 9.7062 10.0425 10.0425 15.8389 15.8389 16.2148 16.2148 16.2370 16.2370 16.6512 16.6512 k = 0.5000 0.5000 0.2439 ( 2300 PWs) bands (ev): -29.2921 -29.2921 -10.6000 -10.6000 -10.4359 -10.4359 -10.2446 -10.2446 -10.2420 -10.2420 -10.0713 -10.0713 -9.3097 -9.3097 -9.1316 -9.1316 -8.9156 -8.9156 -6.9261 -6.9261 -6.8872 -6.8872 -6.4064 -6.4064 1.5070 1.5070 6.6323 6.6323 7.2202 7.2202 7.2386 7.2386 7.8831 7.8831 9.3128 9.3128 9.3308 9.3308 9.7069 9.7069 10.0460 10.0460 15.8092 15.8092 16.1494 16.1494 16.1734 16.1734 16.6719 16.6719 k = 0.5000 0.5000 0.2561 ( 2300 PWs) bands (ev): -29.2919 -29.2919 -10.5996 -10.5996 -10.4182 -10.4182 -10.2492 -10.2492 -10.2356 -10.2356 -10.0692 -10.0692 -9.3013 -9.3013 -9.1309 -9.1309 -8.9157 -8.9157 -6.9303 -6.9303 -6.8908 -6.8908 -6.4404 -6.4404 1.4205 1.4205 6.6533 6.6533 7.1923 7.1923 7.2102 7.2102 8.0279 8.0279 9.3722 9.3722 9.3900 9.3900 9.7076 9.7076 10.0494 10.0494 15.7787 15.7787 16.0847 16.0847 16.1104 16.1104 16.6930 16.6930 k = 0.5000 0.5000 0.2683 ( 2300 PWs) bands (ev): -29.2917 -29.2917 -10.5992 -10.5992 -10.4014 -10.4014 -10.2537 -10.2537 -10.2282 -10.2282 -10.0672 -10.0672 -9.2924 -9.2924 -9.1302 -9.1302 -8.9157 -8.9157 -6.9344 -6.9344 -6.8944 -6.8944 -6.4752 -6.4752 1.3379 1.3379 6.6742 6.6742 7.1657 7.1657 7.1832 7.1832 8.1698 8.1698 9.4306 9.4306 9.4481 9.4481 9.7083 9.7083 10.0529 10.0529 15.7475 15.7475 16.0210 16.0210 16.0483 16.0483 16.7144 16.7144 k = 0.5000 0.5000 0.2805 ( 2292 PWs) bands (ev): -29.2915 -29.2915 -10.5988 -10.5988 -10.3859 -10.3859 -10.2580 -10.2580 -10.2196 -10.2196 -10.0653 -10.0653 -9.2830 -9.2830 -9.1296 -9.1296 -8.9158 -8.9158 -6.9386 -6.9386 -6.8980 -6.8980 -6.5104 -6.5104 1.2590 1.2590 6.6951 6.6951 7.1403 7.1403 7.1575 7.1575 8.3084 8.3084 9.4879 9.4879 9.5051 9.5051 9.7091 9.7091 10.0563 10.0563 15.7160 15.7160 15.9585 15.9585 15.9874 15.9874 16.7358 16.7358 k = 0.5000 0.5000 0.2927 ( 2300 PWs) bands (ev): -29.2914 -29.2914 -10.5985 -10.5985 -10.3719 -10.3719 -10.2621 -10.2621 -10.2098 -10.2098 -10.0636 -10.0636 -9.2730 -9.2730 -9.1289 -9.1289 -8.9158 -8.9158 -6.9428 -6.9428 -6.9015 -6.9015 -6.5460 -6.5460 1.1842 1.1842 6.7157 6.7157 7.1163 7.1163 7.1333 7.1333 8.4430 8.4430 9.5438 9.5438 9.5607 9.5607 9.7098 9.7098 10.0597 10.0597 15.6840 15.6840 15.8975 15.8975 15.9277 15.9277 16.7572 16.7572 k = 0.5000 0.5000 0.3049 ( 2300 PWs) bands (ev): -29.2912 -29.2912 -10.5982 -10.5982 -10.3594 -10.3594 -10.2661 -10.2661 -10.1989 -10.1989 -10.0619 -10.0619 -9.2626 -9.2626 -9.1283 -9.1283 -8.9159 -8.9159 -6.9469 -6.9469 -6.9049 -6.9049 -6.5816 -6.5816 1.1134 1.1134 6.7361 6.7361 7.0936 7.0936 7.1104 7.1104 8.5733 8.5733 9.5981 9.5981 9.6146 9.6146 9.7106 9.7106 10.0631 10.0631 15.6520 15.6520 15.8383 15.8383 15.8698 15.8698 16.7783 16.7783 k = 0.5000 0.5000 0.3171 ( 2300 PWs) bands (ev): -29.2910 -29.2910 -10.5979 -10.5979 -10.3486 -10.3486 -10.2698 -10.2698 -10.1869 -10.1869 -10.0603 -10.0603 -9.2518 -9.2518 -9.1277 -9.1277 -8.9159 -8.9159 -6.9509 -6.9509 -6.9083 -6.9083 -6.6171 -6.6171 1.0467 1.0467 6.7559 6.7559 7.0723 7.0723 7.0889 7.0889 8.6988 8.6988 9.6507 9.6507 9.6665 9.6665 9.7117 9.7117 10.0663 10.0663 15.6199 15.6199 15.7813 15.7813 15.8138 15.8138 16.7991 16.7992 k = 0.5000 0.5000 0.3293 ( 2300 PWs) bands (ev): -29.2909 -29.2909 -10.5977 -10.5977 -10.3394 -10.3394 -10.2733 -10.2733 -10.1740 -10.1740 -10.0588 -10.0588 -9.2406 -9.2406 -9.1271 -9.1271 -8.9159 -8.9159 -6.9549 -6.9549 -6.9115 -6.9115 -6.6522 -6.6522 0.9842 0.9842 6.7751 6.7751 7.0524 7.0524 7.0688 7.0688 8.8190 8.8190 9.7013 9.7013 9.7081 9.7081 9.7211 9.7211 10.0695 10.0695 15.5880 15.5880 15.7266 15.7266 15.7599 15.7599 16.8195 16.8195 k = 0.5000 0.5000 0.3415 ( 2300 PWs) bands (ev): -29.2907 -29.2907 -10.5975 -10.5975 -10.3316 -10.3316 -10.2766 -10.2766 -10.1606 -10.1606 -10.0574 -10.0574 -9.2291 -9.2291 -9.1266 -9.1266 -8.9160 -8.9160 -6.9588 -6.9588 -6.9146 -6.9146 -6.6866 -6.6866 0.9259 0.9259 6.7936 6.7936 7.0338 7.0338 7.0501 7.0501 8.9335 8.9335 9.7116 9.7116 9.7497 9.7497 9.7663 9.7663 10.0725 10.0725 15.5563 15.5563 15.6747 15.6747 15.7084 15.7084 16.8393 16.8393 k = 0.5000 0.5000 0.3537 ( 2300 PWs) bands (ev): -29.2905 -29.2905 -10.5974 -10.5974 -10.3251 -10.3251 -10.2797 -10.2797 -10.1470 -10.1470 -10.0561 -10.0561 -9.2174 -9.2174 -9.1261 -9.1261 -8.9160 -8.9160 -6.9626 -6.9626 -6.9176 -6.9176 -6.7201 -6.7201 0.8718 0.8718 6.8113 6.8113 7.0166 7.0166 7.0329 7.0329 9.0420 9.0420 9.7124 9.7124 9.7957 9.7957 9.8117 9.8117 10.0754 10.0754 15.5251 15.5251 15.6259 15.6259 15.6595 15.6595 16.8582 16.8582 k = 0.5000 0.5000 0.3659 ( 2288 PWs) bands (ev): -29.2904 -29.2904 -10.5972 -10.5972 -10.3196 -10.3196 -10.2825 -10.2825 -10.1334 -10.1334 -10.0549 -10.0549 -9.2057 -9.2057 -9.1256 -9.1256 -8.9160 -8.9160 -6.9663 -6.9663 -6.9204 -6.9204 -6.7523 -6.7523 0.8220 0.8220 6.8280 6.8280 7.0008 7.0008 7.0170 7.0170 9.1438 9.1438 9.7131 9.7131 9.8391 9.8391 9.8547 9.8547 10.0782 10.0782 15.4943 15.4943 15.5807 15.5807 15.6135 15.6135 16.8765 16.8765 k = 0.5000 0.5000 0.3780 ( 2296 PWs) bands (ev): -29.2903 -29.2903 -10.5971 -10.5971 -10.3150 -10.3150 -10.2852 -10.2852 -10.1202 -10.1202 -10.0538 -10.0538 -9.1941 -9.1941 -9.1251 -9.1251 -8.9160 -8.9160 -6.9700 -6.9700 -6.9230 -6.9230 -6.7829 -6.7829 0.7765 0.7765 6.8437 6.8437 6.9864 6.9864 7.0025 7.0025 9.2386 9.2386 9.7137 9.7137 9.8797 9.8797 9.8949 9.8949 10.0808 10.0808 15.4641 15.4641 15.5393 15.5393 15.5705 15.5705 16.8935 16.8935 k = 0.5000 0.5000 0.3902 ( 2296 PWs) bands (ev): -29.2901 -29.2901 -10.5971 -10.5971 -10.3112 -10.3112 -10.2876 -10.2876 -10.1077 -10.1077 -10.0528 -10.0528 -9.1827 -9.1827 -9.1247 -9.1247 -8.9160 -8.9160 -6.9737 -6.9737 -6.9254 -6.9254 -6.8116 -6.8116 0.7353 0.7353 6.8581 6.8581 6.9733 6.9733 6.9895 6.9895 9.3259 9.3259 9.7142 9.7142 9.9171 9.9171 9.9321 9.9321 10.0832 10.0832 15.4347 15.4347 15.5022 15.5022 15.5308 15.5308 16.9094 16.9094 k = 0.5000 0.5000 0.4024 ( 2296 PWs) bands (ev): -29.2900 -29.2900 -10.5970 -10.5970 -10.3081 -10.3081 -10.2897 -10.2897 -10.0960 -10.0960 -10.0519 -10.0519 -9.1718 -9.1718 -9.1244 -9.1244 -8.9160 -8.9160 -6.9774 -6.9774 -6.9276 -6.9276 -6.8379 -6.8379 0.6985 0.6985 6.8713 6.8713 6.9616 6.9616 6.9779 6.9779 9.4053 9.4053 9.7146 9.7146 9.9513 9.9513 9.9660 9.9660 10.0855 10.0855 15.4062 15.4062 15.4696 15.4696 15.4947 15.4947 16.9240 16.9240 k = 0.5000 0.5000 0.4146 ( 2296 PWs) bands (ev): -29.2899 -29.2899 -10.5970 -10.5970 -10.3054 -10.3054 -10.2916 -10.2916 -10.0854 -10.0854 -10.0512 -10.0512 -9.1615 -9.1615 -9.1240 -9.1240 -8.9161 -8.9161 -6.9811 -6.9811 -6.9296 -6.9296 -6.8616 -6.8616 0.6660 0.6660 6.8830 6.8830 6.9513 6.9513 6.9677 6.9677 9.4765 9.4765 9.7150 9.7150 9.9819 9.9819 9.9964 9.9964 10.0876 10.0876 15.3792 15.3792 15.4414 15.4414 15.4622 15.4622 16.9372 16.9372 k = 0.5000 0.5000 0.4268 ( 2296 PWs) bands (ev): -29.2898 -29.2898 -10.5970 -10.5970 -10.3033 -10.3033 -10.2933 -10.2933 -10.0759 -10.0759 -10.0505 -10.0505 -9.1520 -9.1520 -9.1237 -9.1237 -8.9161 -8.9161 -6.9849 -6.9849 -6.9314 -6.9314 -6.8823 -6.8823 0.6378 0.6378 6.8932 6.8932 6.9424 6.9424 6.9591 6.9591 9.5390 9.5390 9.7154 9.7154 10.0088 10.0088 10.0232 10.0232 10.0895 10.0895 15.3543 15.3543 15.4174 15.4174 15.4337 15.4337 16.9489 16.9489 k = 0.5000 0.5000 0.4390 ( 2296 PWs) bands (ev): -29.2898 -29.2898 -10.5970 -10.5970 -10.3015 -10.3015 -10.2946 -10.2946 -10.0677 -10.0677 -10.0499 -10.0499 -9.1436 -9.1436 -9.1235 -9.1235 -8.9161 -8.9161 -6.9888 -6.9888 -6.9329 -6.9329 -6.8997 -6.8997 0.6139 0.6139 6.9017 6.9017 6.9348 6.9348 6.9521 6.9521 9.5925 9.5925 9.7157 9.7157 10.0317 10.0317 10.0462 10.0462 10.0913 10.0913 15.3322 15.3322 15.3974 15.3974 15.4092 15.4092 16.9590 16.9590 k = 0.5000 0.5000 0.4512 ( 2296 PWs) bands (ev): -29.2897 -29.2897 -10.5970 -10.5970 -10.3002 -10.3002 -10.2958 -10.2958 -10.0609 -10.0609 -10.0494 -10.0494 -9.1364 -9.1364 -9.1233 -9.1233 -8.9161 -8.9161 -6.9928 -6.9928 -6.9341 -6.9341 -6.9136 -6.9136 0.5944 0.5944 6.9083 6.9083 6.9286 6.9286 6.9467 6.9467 9.6367 9.6367 9.7159 9.7159 10.0504 10.0504 10.0653 10.0653 10.0931 10.0931 15.3134 15.3134 15.3812 15.3812 15.3890 15.3890 16.9674 16.9674 k = 0.5000 0.5000 0.4634 ( 2296 PWs) bands (ev): -29.2897 -29.2897 -10.5970 -10.5970 -10.2991 -10.2991 -10.2967 -10.2967 -10.0555 -10.0555 -10.0491 -10.0491 -9.1306 -9.1306 -9.1231 -9.1231 -8.9161 -8.9161 -6.9966 -6.9966 -6.9351 -6.9351 -6.9239 -6.9239 0.5793 0.5793 6.9131 6.9131 6.9238 6.9238 6.9430 6.9430 9.6714 9.6714 9.7161 9.7161 10.0646 10.0646 10.0802 10.0802 10.0950 10.0950 15.2984 15.2984 15.3686 15.3686 15.3731 15.3731 16.9740 16.9740 k = 0.5000 0.5000 0.4756 ( 2296 PWs) bands (ev): -29.2896 -29.2896 -10.5970 -10.5970 -10.2984 -10.2984 -10.2973 -10.2973 -10.0517 -10.0517 -10.0488 -10.0488 -9.1264 -9.1264 -9.1230 -9.1230 -8.9161 -8.9161 -6.9998 -6.9998 -6.9358 -6.9358 -6.9310 -6.9310 0.5684 0.5684 6.9159 6.9159 6.9204 6.9204 6.9409 6.9409 9.6963 9.6963 9.7163 9.7163 10.0742 10.0742 10.0910 10.0910 10.0970 10.0970 15.2875 15.2875 15.3597 15.3597 15.3617 15.3617 16.9787 16.9787 k = 0.5000 0.5000 0.4878 ( 2296 PWs) bands (ev): -29.2896 -29.2896 -10.5970 -10.5970 -10.2980 -10.2980 -10.2977 -10.2977 -10.0494 -10.0494 -10.0486 -10.0486 -9.1238 -9.1238 -9.1229 -9.1229 -8.9161 -8.9161 -7.0019 -7.0019 -6.9362 -6.9362 -6.9350 -6.9350 0.5619 0.5619 6.9173 6.9173 6.9183 6.9183 6.9400 6.9400 9.7114 9.7114 9.7163 9.7163 10.0793 10.0793 10.0975 10.0975 10.0989 10.0989 15.2809 15.2809 15.3543 15.3543 15.3548 15.3548 16.9816 16.9816 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -29.2896 -29.2896 -10.5969 -10.5969 -10.2978 -10.2978 -10.2978 -10.2978 -10.0485 -10.0485 -10.0485 -10.0485 -9.1229 -9.1229 -9.1229 -9.1229 -8.9161 -8.9161 -7.0027 -7.0027 -6.9363 -6.9363 -6.9363 -6.9363 0.5598 0.5598 6.9177 6.9177 6.9177 6.9177 6.9398 6.9398 9.7164 9.7164 9.7164 9.7164 10.0809 10.0809 10.0997 10.0997 10.0997 10.0997 15.2789 15.2789 15.3526 15.3526 15.3526 15.3526 16.9826 16.9826 Writing output data file CaSnO3.save init_run : 0.27s CPU 0.72s WALL ( 1 calls) electrons : 157.93s CPU 162.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.22s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 157.92s CPU 162.33s 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 : 0.06s CPU 0.05s WALL ( 313 calls) cegterg : 151.68s CPU 154.39s WALL ( 730 calls) Called by sum_band: Called by *egterg: h_psi : 55.26s CPU 56.59s WALL ( 13439 calls) s_psi : 3.62s CPU 3.84s WALL ( 13439 calls) g_psi : 0.15s CPU 0.17s WALL ( 12396 calls) cdiaghg : 83.89s CPU 84.92s WALL ( 12709 calls) cegterg:over : 5.12s CPU 5.14s WALL ( 12396 calls) cegterg:upda : 3.66s CPU 3.75s WALL ( 12396 calls) cegterg:last : 1.98s CPU 2.09s WALL ( 1666 calls) cdiaghg:chol : 4.32s CPU 4.41s WALL ( 12709 calls) cdiaghg:inve : 2.92s CPU 3.11s WALL ( 12709 calls) cdiaghg:para : 4.99s CPU 4.99s WALL ( 25418 calls) Called by h_psi: h_psi:vloc : 46.70s CPU 47.76s WALL ( 13439 calls) h_psi:vnl : 8.41s CPU 8.69s WALL ( 13439 calls) add_vuspsi : 4.28s CPU 4.41s WALL ( 13439 calls) General routines calbec : 4.09s CPU 4.24s WALL ( 13439 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.30s CPU 44.41s WALL ( 1013012 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.19s WALL ( 626 calls) Parallel routines fft_scatter : 21.52s CPU 22.63s WALL ( 1013035 calls) PWSCF : 2m50.30s CPU 3m24.80s WALL This run was terminated on: 16:31:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=