Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:38:50 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: ./KCaF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 49 31 9 1583 785 129 Max 50 32 10 1588 799 132 Sum 1789 1117 341 57051 28425 4697 bravais-lattice index = 14 lattice parameter (alat) = 8.4252 a.u. unit-cell volume = 598.0446 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.425154 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 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= 276 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0036232 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0036232 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0036232 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0036232 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0036232 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036232 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0036232 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0036232 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0036232 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0036232 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0036232 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036232 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0036232 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0036232 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0036232 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0036232 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0036232 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036232 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0036232 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0036232 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0036232 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0036232 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0036232 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036232 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0036232 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0036232 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036232 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0036232 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0036232 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036232 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0036232 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0036232 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0036232 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0036232 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0036232 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036232 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036232 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0036232 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0036232 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0036232 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0036232 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0036232 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036232 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0036232 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0036232 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036232 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0036232 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0036232 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036232 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0036232 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0036232 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0036232 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0036232 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0036232 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036232 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0036232 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0036232 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0036232 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0036232 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0036232 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036232 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036232 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0036232 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036232 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0036232 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0036232 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036232 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0036232 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0036232 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0036232 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0036232 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0036232 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036232 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036232 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036232 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036232 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036232 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036232 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036232 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036232 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036232 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036232 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036232 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036232 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036232 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036232 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036232 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036232 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036232 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036232 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036232 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036232 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036232 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036232 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036232 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036232 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036232 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036232 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036232 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036232 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036232 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036232 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036232 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036232 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036232 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036232 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036232 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036232 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036232 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036232 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036232 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036232 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036232 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036232 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036232 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036232 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036232 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036232 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036232 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036232 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 127) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0036232 k( 128) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0036232 k( 129) = ( 0.0241936 0.0241935 0.0241935), wk = 0.0036232 k( 130) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0036232 k( 131) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0036232 k( 132) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0036232 k( 133) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0036232 k( 134) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0036232 k( 135) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0036232 k( 136) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0036232 k( 137) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0036232 k( 138) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0036232 k( 139) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0036232 k( 140) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0036232 k( 141) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0036232 k( 142) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0036232 k( 143) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0036232 k( 144) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0036232 k( 145) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0036232 k( 146) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0036232 k( 147) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0036232 k( 148) = ( 0.1774194 0.1774193 0.1774193), wk = 0.0036232 k( 149) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0036232 k( 150) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0036232 k( 151) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0036232 k( 152) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0036232 k( 153) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0036232 k( 154) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0036232 k( 155) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0036232 k( 156) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0036232 k( 157) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036232 k( 158) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0036232 k( 159) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0036232 k( 160) = ( 0.2741936 0.2741936 0.2741935), wk = 0.0036232 k( 161) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0036232 k( 162) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0036232 k( 163) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0036232 k( 164) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0036232 k( 165) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0036232 k( 166) = ( 0.3225807 0.3225806 0.3225806), wk = 0.0036232 k( 167) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0036232 k( 168) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0036232 k( 169) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0036232 k( 170) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0036232 k( 171) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0036232 k( 172) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0036232 k( 173) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0036232 k( 174) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0036232 k( 175) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0036232 k( 176) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0036232 k( 177) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0036232 k( 178) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0036232 k( 179) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0036232 k( 180) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0036232 k( 181) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0036232 k( 182) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0036232 k( 183) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0036232 k( 184) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0036232 k( 185) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0036232 k( 186) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0036232 k( 187) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0036232 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 190) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036232 k( 191) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036232 k( 192) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036232 k( 193) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036232 k( 194) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036232 k( 195) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036232 k( 196) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036232 k( 197) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036232 k( 198) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036232 k( 199) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036232 k( 200) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036232 k( 201) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036232 k( 202) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036232 k( 203) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036232 k( 204) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036232 k( 205) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036232 k( 206) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036232 k( 207) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036232 k( 208) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036232 k( 209) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036232 k( 210) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036232 k( 211) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036232 k( 212) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036232 k( 213) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036232 k( 214) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036232 k( 215) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036232 k( 216) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036232 k( 217) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036232 k( 218) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036232 k( 219) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036232 k( 220) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036232 k( 221) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036232 k( 222) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036232 k( 223) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036232 k( 224) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036232 k( 225) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036232 k( 226) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036232 k( 227) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036232 k( 228) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036232 k( 229) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036232 k( 230) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036232 k( 231) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036232 k( 232) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036232 k( 233) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036232 k( 234) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036232 k( 235) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036232 k( 236) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036232 k( 237) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036232 k( 238) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036232 k( 239) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036232 k( 240) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 241) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036232 k( 242) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036232 k( 243) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036232 k( 244) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036232 k( 245) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036232 k( 246) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036232 k( 247) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036232 k( 248) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036232 k( 249) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036232 k( 250) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036232 k( 251) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036232 k( 252) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036232 k( 253) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036232 k( 254) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036232 k( 255) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036232 k( 256) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036232 k( 257) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036232 k( 258) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036232 k( 259) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036232 k( 260) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036232 k( 261) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036232 k( 262) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036232 k( 263) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036232 k( 264) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036232 k( 265) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036232 k( 266) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036232 k( 267) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036232 k( 268) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036232 k( 269) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036232 k( 270) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036232 k( 271) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036232 k( 272) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036232 k( 273) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036232 k( 274) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036232 k( 275) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036232 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0036232 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0036232 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0036232 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0036232 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0036232 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036232 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0036232 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0036232 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036232 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0036232 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0036232 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0036232 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0036232 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0036232 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0036232 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0036232 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0036232 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036232 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0036232 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0036232 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0036232 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0036232 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0036232 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0036232 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0036232 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0036232 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0036232 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0036232 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0036232 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036232 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0036232 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0036232 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0036232 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0036232 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0036232 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0036232 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0036232 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0036232 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0036232 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0036232 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036232 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0036232 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0036232 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036232 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0036232 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0036232 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036232 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0036232 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0036232 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0036232 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0036232 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0036232 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036232 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0036232 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0036232 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0036232 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0036232 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0036232 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036232 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036232 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0036232 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0036232 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0036232 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0036232 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036232 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0036232 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0036232 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0036232 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0036232 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0036232 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036232 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036232 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036232 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036232 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036232 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036232 k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036232 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036232 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036232 k( 83) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036232 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036232 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036232 k( 86) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036232 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036232 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036232 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036232 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036232 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036232 k( 92) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036232 k( 93) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036232 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036232 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036232 k( 96) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036232 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036232 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036232 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036232 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036232 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036232 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036232 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036232 k( 104) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036232 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036232 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036232 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036232 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036232 k( 109) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036232 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036232 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036232 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036232 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036232 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036232 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036232 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036232 k( 117) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036232 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036232 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036232 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036232 k( 121) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036232 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036232 k( 123) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036232 k( 124) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 127) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0036232 k( 128) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0036232 k( 129) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0036232 k( 130) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0036232 k( 131) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0036232 k( 132) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0036232 k( 133) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0036232 k( 134) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0036232 k( 135) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0036232 k( 136) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0036232 k( 137) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0036232 k( 138) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0036232 k( 139) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0036232 k( 140) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0036232 k( 141) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0036232 k( 142) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0036232 k( 143) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0036232 k( 144) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0036232 k( 145) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0036232 k( 146) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0036232 k( 147) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0036232 k( 148) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0036232 k( 149) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0036232 k( 150) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0036232 k( 151) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0036232 k( 152) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0036232 k( 153) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0036232 k( 154) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0036232 k( 155) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0036232 k( 156) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0036232 k( 157) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036232 k( 158) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0036232 k( 159) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0036232 k( 160) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0036232 k( 161) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0036232 k( 162) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0036232 k( 163) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0036232 k( 164) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0036232 k( 165) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0036232 k( 166) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0036232 k( 167) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0036232 k( 168) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0036232 k( 169) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0036232 k( 170) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0036232 k( 171) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0036232 k( 172) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0036232 k( 173) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0036232 k( 174) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0036232 k( 175) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0036232 k( 176) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0036232 k( 177) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0036232 k( 178) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0036232 k( 179) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0036232 k( 180) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0036232 k( 181) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0036232 k( 182) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0036232 k( 183) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0036232 k( 184) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0036232 k( 185) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0036232 k( 186) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0036232 k( 187) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0036232 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 190) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036232 k( 191) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036232 k( 192) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036232 k( 193) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036232 k( 194) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036232 k( 195) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036232 k( 196) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036232 k( 197) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036232 k( 198) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036232 k( 199) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036232 k( 200) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036232 k( 201) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036232 k( 202) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036232 k( 203) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036232 k( 204) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036232 k( 205) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036232 k( 206) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036232 k( 207) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036232 k( 208) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036232 k( 209) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036232 k( 210) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036232 k( 211) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036232 k( 212) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036232 k( 213) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036232 k( 214) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036232 k( 215) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036232 k( 216) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036232 k( 217) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036232 k( 218) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036232 k( 219) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036232 k( 220) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036232 k( 221) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036232 k( 222) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036232 k( 223) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036232 k( 224) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036232 k( 225) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036232 k( 226) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036232 k( 227) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036232 k( 228) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036232 k( 229) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036232 k( 230) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036232 k( 231) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036232 k( 232) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036232 k( 233) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036232 k( 234) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036232 k( 235) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036232 k( 236) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036232 k( 237) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036232 k( 238) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036232 k( 239) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 240) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036232 k( 241) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036232 k( 242) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036232 k( 243) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036232 k( 244) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036232 k( 245) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036232 k( 246) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036232 k( 247) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036232 k( 248) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036232 k( 249) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036232 k( 250) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036232 k( 251) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036232 k( 252) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036232 k( 253) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036232 k( 254) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036232 k( 255) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036232 k( 256) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036232 k( 257) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036232 k( 258) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036232 k( 259) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036232 k( 260) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036232 k( 261) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036232 k( 262) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036232 k( 263) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036232 k( 264) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036232 k( 265) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036232 k( 266) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036232 k( 267) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036232 k( 268) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036232 k( 269) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036232 k( 270) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036232 k( 271) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036232 k( 272) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036232 k( 273) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036232 k( 274) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036232 k( 275) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036232 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 Dense grid: 57051 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 28425 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 202, 48) NL pseudopotentials 0.17 Mb ( 101, 110) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1588) G-vector shells 0.00 Mb ( 363) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 202, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./KCaF3.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 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 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.3 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.3 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.7 secs Computing kpt #: 26 total cpu time spent up to now is 16.2 secs Computing kpt #: 27 total cpu time spent up to now is 16.7 secs Computing kpt #: 28 total cpu time spent up to now is 17.2 secs Computing kpt #: 29 total cpu time spent up to now is 17.6 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.6 secs Computing kpt #: 32 total cpu time spent up to now is 19.1 secs Computing kpt #: 33 total cpu time spent up to now is 19.6 secs Computing kpt #: 34 total cpu time spent up to now is 20.0 secs Computing kpt #: 35 total cpu time spent up to now is 20.5 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.5 secs Computing kpt #: 38 total cpu time spent up to now is 21.9 secs Computing kpt #: 39 total cpu time spent up to now is 22.4 secs Computing kpt #: 40 total cpu time spent up to now is 22.9 secs Computing kpt #: 41 total cpu time spent up to now is 23.4 secs Computing kpt #: 42 total cpu time spent up to now is 23.8 secs Computing kpt #: 43 total cpu time spent up to now is 24.3 secs Computing kpt #: 44 total cpu time spent up to now is 24.8 secs Computing kpt #: 45 total cpu time spent up to now is 25.3 secs Computing kpt #: 46 total cpu time spent up to now is 25.8 secs Computing kpt #: 47 total cpu time spent up to now is 26.2 secs Computing kpt #: 48 total cpu time spent up to now is 26.7 secs Computing kpt #: 49 total cpu time spent up to now is 27.2 secs Computing kpt #: 50 total cpu time spent up to now is 27.6 secs Computing kpt #: 51 total cpu time spent up to now is 28.1 secs Computing kpt #: 52 total cpu time spent up to now is 28.5 secs Computing kpt #: 53 total cpu time spent up to now is 29.0 secs Computing kpt #: 54 total cpu time spent up to now is 29.4 secs Computing kpt #: 55 total cpu time spent up to now is 29.8 secs Computing kpt #: 56 total cpu time spent up to now is 30.3 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.1 secs Computing kpt #: 59 total cpu time spent up to now is 31.5 secs Computing kpt #: 60 total cpu time spent up to now is 31.9 secs Computing kpt #: 61 total cpu time spent up to now is 32.3 secs Computing kpt #: 62 total cpu time spent up to now is 32.7 secs Computing kpt #: 63 total cpu time spent up to now is 33.1 secs Computing kpt #: 64 total cpu time spent up to now is 33.5 secs Computing kpt #: 65 total cpu time spent up to now is 33.9 secs Computing kpt #: 66 total cpu time spent up to now is 34.2 secs Computing kpt #: 67 total cpu time spent up to now is 34.6 secs Computing kpt #: 68 total cpu time spent up to now is 35.0 secs Computing kpt #: 69 total cpu time spent up to now is 35.4 secs Computing kpt #: 70 total cpu time spent up to now is 35.8 secs Computing kpt #: 71 total cpu time spent up to now is 36.2 secs Computing kpt #: 72 total cpu time spent up to now is 36.5 secs Computing kpt #: 73 total cpu time spent up to now is 36.9 secs Computing kpt #: 74 total cpu time spent up to now is 37.3 secs Computing kpt #: 75 total cpu time spent up to now is 37.6 secs Computing kpt #: 76 total cpu time spent up to now is 38.0 secs Computing kpt #: 77 total cpu time spent up to now is 38.4 secs Computing kpt #: 78 total cpu time spent up to now is 38.7 secs Computing kpt #: 79 total cpu time spent up to now is 39.1 secs Computing kpt #: 80 total cpu time spent up to now is 39.5 secs Computing kpt #: 81 total cpu time spent up to now is 39.9 secs Computing kpt #: 82 total cpu time spent up to now is 40.3 secs Computing kpt #: 83 total cpu time spent up to now is 40.7 secs Computing kpt #: 84 total cpu time spent up to now is 41.0 secs Computing kpt #: 85 total cpu time spent up to now is 41.4 secs Computing kpt #: 86 total cpu time spent up to now is 41.8 secs Computing kpt #: 87 total cpu time spent up to now is 42.2 secs Computing kpt #: 88 total cpu time spent up to now is 42.6 secs Computing kpt #: 89 total cpu time spent up to now is 43.0 secs Computing kpt #: 90 total cpu time spent up to now is 43.4 secs Computing kpt #: 91 total cpu time spent up to now is 43.9 secs Computing kpt #: 92 total cpu time spent up to now is 44.3 secs Computing kpt #: 93 total cpu time spent up to now is 44.7 secs Computing kpt #: 94 total cpu time spent up to now is 45.1 secs Computing kpt #: 95 total cpu time spent up to now is 45.5 secs Computing kpt #: 96 total cpu time spent up to now is 45.9 secs Computing kpt #: 97 total cpu time spent up to now is 46.3 secs Computing kpt #: 98 total cpu time spent up to now is 46.8 secs Computing kpt #: 99 total cpu time spent up to now is 47.2 secs Computing kpt #: 100 total cpu time spent up to now is 47.7 secs Computing kpt #: 101 total cpu time spent up to now is 48.1 secs Computing kpt #: 102 total cpu time spent up to now is 48.6 secs Computing kpt #: 103 total cpu time spent up to now is 49.1 secs Computing kpt #: 104 total cpu time spent up to now is 49.6 secs Computing kpt #: 105 total cpu time spent up to now is 50.0 secs Computing kpt #: 106 total cpu time spent up to now is 50.5 secs Computing kpt #: 107 total cpu time spent up to now is 51.0 secs Computing kpt #: 108 total cpu time spent up to now is 51.5 secs Computing kpt #: 109 total cpu time spent up to now is 52.0 secs Computing kpt #: 110 total cpu time spent up to now is 52.4 secs Computing kpt #: 111 total cpu time spent up to now is 52.9 secs Computing kpt #: 112 total cpu time spent up to now is 53.4 secs Computing kpt #: 113 total cpu time spent up to now is 53.9 secs Computing kpt #: 114 total cpu time spent up to now is 54.4 secs Computing kpt #: 115 total cpu time spent up to now is 54.9 secs Computing kpt #: 116 total cpu time spent up to now is 55.4 secs Computing kpt #: 117 total cpu time spent up to now is 55.8 secs Computing kpt #: 118 total cpu time spent up to now is 56.3 secs Computing kpt #: 119 total cpu time spent up to now is 56.9 secs Computing kpt #: 120 total cpu time spent up to now is 57.4 secs Computing kpt #: 121 total cpu time spent up to now is 57.9 secs Computing kpt #: 122 total cpu time spent up to now is 58.4 secs Computing kpt #: 123 total cpu time spent up to now is 59.0 secs Computing kpt #: 124 total cpu time spent up to now is 59.6 secs Computing kpt #: 125 total cpu time spent up to now is 60.2 secs Computing kpt #: 126 total cpu time spent up to now is 60.9 secs Computing kpt #: 127 total cpu time spent up to now is 61.6 secs Computing kpt #: 128 total cpu time spent up to now is 62.1 secs Computing kpt #: 129 total cpu time spent up to now is 62.6 secs Computing kpt #: 130 total cpu time spent up to now is 63.1 secs Computing kpt #: 131 total cpu time spent up to now is 63.6 secs Computing kpt #: 132 total cpu time spent up to now is 64.1 secs Computing kpt #: 133 total cpu time spent up to now is 64.6 secs Computing kpt #: 134 total cpu time spent up to now is 65.1 secs Computing kpt #: 135 total cpu time spent up to now is 65.6 secs Computing kpt #: 136 total cpu time spent up to now is 66.1 secs Computing kpt #: 137 total cpu time spent up to now is 66.6 secs Computing kpt #: 138 total cpu time spent up to now is 67.1 secs Computing kpt #: 139 total cpu time spent up to now is 67.5 secs Computing kpt #: 140 total cpu time spent up to now is 68.0 secs Computing kpt #: 141 total cpu time spent up to now is 68.5 secs Computing kpt #: 142 total cpu time spent up to now is 69.0 secs Computing kpt #: 143 total cpu time spent up to now is 69.4 secs Computing kpt #: 144 total cpu time spent up to now is 69.9 secs Computing kpt #: 145 total cpu time spent up to now is 70.3 secs Computing kpt #: 146 total cpu time spent up to now is 70.7 secs Computing kpt #: 147 total cpu time spent up to now is 71.2 secs Computing kpt #: 148 total cpu time spent up to now is 71.6 secs Computing kpt #: 149 total cpu time spent up to now is 72.0 secs Computing kpt #: 150 total cpu time spent up to now is 72.4 secs Computing kpt #: 151 total cpu time spent up to now is 72.9 secs Computing kpt #: 152 total cpu time spent up to now is 73.3 secs Computing kpt #: 153 total cpu time spent up to now is 73.7 secs Computing kpt #: 154 total cpu time spent up to now is 74.1 secs Computing kpt #: 155 total cpu time spent up to now is 74.6 secs Computing kpt #: 156 total cpu time spent up to now is 75.0 secs Computing kpt #: 157 total cpu time spent up to now is 75.5 secs Computing kpt #: 158 total cpu time spent up to now is 75.9 secs Computing kpt #: 159 total cpu time spent up to now is 76.3 secs Computing kpt #: 160 total cpu time spent up to now is 76.7 secs Computing kpt #: 161 total cpu time spent up to now is 77.1 secs Computing kpt #: 162 total cpu time spent up to now is 77.5 secs Computing kpt #: 163 total cpu time spent up to now is 77.9 secs Computing kpt #: 164 total cpu time spent up to now is 78.3 secs Computing kpt #: 165 total cpu time spent up to now is 78.7 secs Computing kpt #: 166 total cpu time spent up to now is 79.2 secs Computing kpt #: 167 total cpu time spent up to now is 79.6 secs Computing kpt #: 168 total cpu time spent up to now is 80.0 secs Computing kpt #: 169 total cpu time spent up to now is 80.4 secs Computing kpt #: 170 total cpu time spent up to now is 80.8 secs Computing kpt #: 171 total cpu time spent up to now is 81.3 secs Computing kpt #: 172 total cpu time spent up to now is 81.7 secs Computing kpt #: 173 total cpu time spent up to now is 82.1 secs Computing kpt #: 174 total cpu time spent up to now is 82.5 secs Computing kpt #: 175 total cpu time spent up to now is 82.9 secs Computing kpt #: 176 total cpu time spent up to now is 83.4 secs Computing kpt #: 177 total cpu time spent up to now is 83.8 secs Computing kpt #: 178 total cpu time spent up to now is 84.2 secs Computing kpt #: 179 total cpu time spent up to now is 84.6 secs Computing kpt #: 180 total cpu time spent up to now is 85.0 secs Computing kpt #: 181 total cpu time spent up to now is 85.4 secs Computing kpt #: 182 total cpu time spent up to now is 85.9 secs Computing kpt #: 183 total cpu time spent up to now is 86.3 secs Computing kpt #: 184 total cpu time spent up to now is 86.8 secs Computing kpt #: 185 total cpu time spent up to now is 87.2 secs Computing kpt #: 186 total cpu time spent up to now is 87.6 secs Computing kpt #: 187 total cpu time spent up to now is 88.1 secs Computing kpt #: 188 total cpu time spent up to now is 88.5 secs Computing kpt #: 189 total cpu time spent up to now is 88.9 secs Computing kpt #: 190 total cpu time spent up to now is 89.3 secs Computing kpt #: 191 total cpu time spent up to now is 89.7 secs Computing kpt #: 192 total cpu time spent up to now is 90.2 secs Computing kpt #: 193 total cpu time spent up to now is 90.6 secs Computing kpt #: 194 total cpu time spent up to now is 91.0 secs Computing kpt #: 195 total cpu time spent up to now is 91.5 secs Computing kpt #: 196 total cpu time spent up to now is 92.0 secs Computing kpt #: 197 total cpu time spent up to now is 92.5 secs Computing kpt #: 198 total cpu time spent up to now is 92.9 secs Computing kpt #: 199 total cpu time spent up to now is 93.3 secs Computing kpt #: 200 total cpu time spent up to now is 93.7 secs Computing kpt #: 201 total cpu time spent up to now is 94.2 secs Computing kpt #: 202 total cpu time spent up to now is 94.6 secs Computing kpt #: 203 total cpu time spent up to now is 95.1 secs Computing kpt #: 204 total cpu time spent up to now is 95.6 secs Computing kpt #: 205 total cpu time spent up to now is 96.0 secs Computing kpt #: 206 total cpu time spent up to now is 96.4 secs Computing kpt #: 207 total cpu time spent up to now is 96.9 secs Computing kpt #: 208 total cpu time spent up to now is 97.4 secs Computing kpt #: 209 total cpu time spent up to now is 97.8 secs Computing kpt #: 210 total cpu time spent up to now is 98.2 secs Computing kpt #: 211 total cpu time spent up to now is 98.7 secs Computing kpt #: 212 total cpu time spent up to now is 99.1 secs Computing kpt #: 213 total cpu time spent up to now is 99.5 secs Computing kpt #: 214 total cpu time spent up to now is 99.9 secs Computing kpt #: 215 total cpu time spent up to now is 100.4 secs Computing kpt #: 216 total cpu time spent up to now is 100.8 secs Computing kpt #: 217 total cpu time spent up to now is 101.2 secs Computing kpt #: 218 total cpu time spent up to now is 101.7 secs Computing kpt #: 219 total cpu time spent up to now is 102.1 secs Computing kpt #: 220 total cpu time spent up to now is 102.5 secs Computing kpt #: 221 total cpu time spent up to now is 102.9 secs Computing kpt #: 222 total cpu time spent up to now is 103.4 secs Computing kpt #: 223 total cpu time spent up to now is 103.8 secs Computing kpt #: 224 total cpu time spent up to now is 104.2 secs Computing kpt #: 225 total cpu time spent up to now is 104.7 secs Computing kpt #: 226 total cpu time spent up to now is 105.1 secs Computing kpt #: 227 total cpu time spent up to now is 105.6 secs Computing kpt #: 228 total cpu time spent up to now is 106.0 secs Computing kpt #: 229 total cpu time spent up to now is 106.5 secs Computing kpt #: 230 total cpu time spent up to now is 106.9 secs Computing kpt #: 231 total cpu time spent up to now is 107.4 secs Computing kpt #: 232 total cpu time spent up to now is 107.9 secs Computing kpt #: 233 total cpu time spent up to now is 108.4 secs Computing kpt #: 234 total cpu time spent up to now is 108.8 secs Computing kpt #: 235 total cpu time spent up to now is 109.3 secs Computing kpt #: 236 total cpu time spent up to now is 109.8 secs Computing kpt #: 237 total cpu time spent up to now is 110.3 secs Computing kpt #: 238 total cpu time spent up to now is 110.8 secs Computing kpt #: 239 total cpu time spent up to now is 111.2 secs Computing kpt #: 240 total cpu time spent up to now is 111.6 secs Computing kpt #: 241 total cpu time spent up to now is 112.0 secs Computing kpt #: 242 total cpu time spent up to now is 112.3 secs Computing kpt #: 243 total cpu time spent up to now is 112.7 secs Computing kpt #: 244 total cpu time spent up to now is 113.1 secs Computing kpt #: 245 total cpu time spent up to now is 113.5 secs Computing kpt #: 246 total cpu time spent up to now is 113.9 secs Computing kpt #: 247 total cpu time spent up to now is 114.2 secs Computing kpt #: 248 total cpu time spent up to now is 114.6 secs Computing kpt #: 249 total cpu time spent up to now is 115.0 secs Computing kpt #: 250 total cpu time spent up to now is 115.4 secs Computing kpt #: 251 total cpu time spent up to now is 115.8 secs Computing kpt #: 252 total cpu time spent up to now is 116.2 secs Computing kpt #: 253 total cpu time spent up to now is 116.6 secs Computing kpt #: 254 total cpu time spent up to now is 117.0 secs Computing kpt #: 255 total cpu time spent up to now is 117.3 secs Computing kpt #: 256 total cpu time spent up to now is 117.7 secs Computing kpt #: 257 total cpu time spent up to now is 118.1 secs Computing kpt #: 258 total cpu time spent up to now is 118.5 secs Computing kpt #: 259 total cpu time spent up to now is 118.9 secs Computing kpt #: 260 total cpu time spent up to now is 119.3 secs Computing kpt #: 261 total cpu time spent up to now is 119.7 secs Computing kpt #: 262 total cpu time spent up to now is 120.1 secs Computing kpt #: 263 total cpu time spent up to now is 120.5 secs Computing kpt #: 264 total cpu time spent up to now is 120.9 secs Computing kpt #: 265 total cpu time spent up to now is 121.4 secs Computing kpt #: 266 total cpu time spent up to now is 121.8 secs Computing kpt #: 267 total cpu time spent up to now is 122.2 secs Computing kpt #: 268 total cpu time spent up to now is 122.6 secs Computing kpt #: 269 total cpu time spent up to now is 123.1 secs Computing kpt #: 270 total cpu time spent up to now is 123.5 secs Computing kpt #: 271 total cpu time spent up to now is 123.9 secs Computing kpt #: 272 total cpu time spent up to now is 124.3 secs Computing kpt #: 273 total cpu time spent up to now is 124.8 secs Computing kpt #: 274 total cpu time spent up to now is 125.2 secs Computing kpt #: 275 total cpu time spent up to now is 125.7 secs Computing kpt #: 276 total cpu time spent up to now is 126.1 secs ethr = 2.50E-08, avg # of iterations = 21.2 total cpu time spent up to now is 126.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -34.0865 -34.0865 -25.3439 -25.3439 -17.8794 -17.8794 -17.7716 -17.7716 -17.7716 -17.7716 -15.4835 -15.4835 -15.1173 -15.1173 -15.1173 -15.1173 -8.9798 -8.9798 -8.7130 -8.7130 -8.7130 -8.7130 0.4480 0.4480 0.4502 0.4502 0.4502 0.4502 0.9298 0.9298 0.9298 0.9298 0.9575 0.9575 1.1167 1.1167 1.1801 1.1801 1.1801 1.1801 7.5359 7.5359 10.2745 10.2745 10.2745 10.2745 10.2835 10.2835 k = 0.0000 0.0139-0.0000 ( 3619 PWs) bands (ev): -34.0865 -34.0865 -25.3440 -25.3440 -17.8797 -17.8797 -17.7724 -17.7724 -17.7716 -17.7716 -15.4830 -15.4830 -15.1174 -15.1174 -15.1163 -15.1163 -8.9798 -8.9798 -8.7132 -8.7132 -8.7131 -8.7131 0.4477 0.4477 0.4497 0.4497 0.4502 0.4502 0.9294 0.9294 0.9295 0.9295 0.9571 0.9571 1.1159 1.1159 1.1788 1.1788 1.1799 1.1799 7.5385 7.5385 10.2752 10.2752 10.2756 10.2756 10.2844 10.2844 k = 0.0000 0.0278-0.0000 ( 3623 PWs) bands (ev): -34.0865 -34.0865 -25.3440 -25.3440 -17.8807 -17.8807 -17.7748 -17.7748 -17.7716 -17.7716 -15.4813 -15.4813 -15.1173 -15.1173 -15.1132 -15.1132 -8.9798 -8.9798 -8.7132 -8.7132 -8.7131 -8.7131 0.4463 0.4463 0.4494 0.4494 0.4504 0.4504 0.9285 0.9285 0.9287 0.9287 0.9563 0.9563 1.1135 1.1135 1.1749 1.1749 1.1794 1.1794 7.5463 7.5463 10.2774 10.2774 10.2793 10.2793 10.2876 10.2876 k = 0.0000 0.0417-0.0000 ( 3623 PWs) bands (ev): -34.0864 -34.0864 -25.3439 -25.3439 -17.8824 -17.8824 -17.7787 -17.7787 -17.7716 -17.7716 -15.4786 -15.4786 -15.1173 -15.1173 -15.1078 -15.1078 -8.9799 -8.9799 -8.7133 -8.7133 -8.7130 -8.7130 0.4430 0.4430 0.4497 0.4497 0.4509 0.4509 0.9271 0.9271 0.9274 0.9274 0.9549 0.9549 1.1091 1.1091 1.1690 1.1690 1.1785 1.1785 7.5591 7.5591 10.2809 10.2809 10.2856 10.2856 10.2933 10.2933 k = 0.0000 0.0556-0.0000 ( 3627 PWs) bands (ev): -34.0864 -34.0864 -25.3439 -25.3439 -17.8850 -17.8850 -17.7838 -17.7838 -17.7716 -17.7716 -15.4749 -15.4749 -15.1173 -15.1173 -15.1003 -15.1003 -8.9799 -8.9799 -8.7135 -8.7135 -8.7129 -8.7129 0.4383 0.4383 0.4502 0.4502 0.4514 0.4514 0.9250 0.9250 0.9255 0.9255 0.9529 0.9529 1.1021 1.1021 1.1617 1.1617 1.1773 1.1773 7.5770 7.5770 10.2852 10.2852 10.2943 10.2943 10.3016 10.3016 k = 0.0000 0.0694-0.0000 ( 3615 PWs) bands (ev): -34.0863 -34.0863 -25.3438 -25.3438 -17.8886 -17.8886 -17.7899 -17.7899 -17.7715 -17.7715 -15.4704 -15.4704 -15.1171 -15.1171 -15.0905 -15.0905 -8.9799 -8.9799 -8.7136 -8.7136 -8.7127 -8.7127 0.4321 0.4321 0.4511 0.4511 0.4522 0.4522 0.9223 0.9223 0.9232 0.9232 0.9504 0.9504 1.0916 1.0916 1.1542 1.1542 1.1757 1.1757 7.5999 7.5999 10.2907 10.2907 10.3055 10.3055 10.3126 10.3126 k = 0.0000 0.0833-0.0000 ( 3607 PWs) bands (ev): -34.0862 -34.0862 -25.3437 -25.3437 -17.8935 -17.8935 -17.7966 -17.7966 -17.7714 -17.7714 -15.4654 -15.4654 -15.1170 -15.1170 -15.0786 -15.0786 -8.9799 -8.9799 -8.7139 -8.7139 -8.7126 -8.7126 0.4245 0.4245 0.4522 0.4522 0.4531 0.4531 0.9190 0.9190 0.9204 0.9204 0.9474 0.9474 1.0772 1.0772 1.1471 1.1471 1.1739 1.1739 7.6277 7.6277 10.2971 10.2971 10.3190 10.3190 10.3260 10.3260 k = 0.0000 0.0972-0.0000 ( 3603 PWs) bands (ev): -34.0860 -34.0860 -25.3437 -25.3437 -17.9000 -17.9000 -17.8035 -17.8035 -17.7714 -17.7714 -15.4599 -15.4599 -15.1169 -15.1169 -15.0645 -15.0645 -8.9799 -8.9799 -8.7141 -8.7141 -8.7124 -8.7124 0.4155 0.4155 0.4534 0.4534 0.4542 0.4542 0.9151 0.9151 0.9171 0.9171 0.9438 0.9438 1.0586 1.0586 1.1410 1.1410 1.1718 1.1718 7.6602 7.6602 10.3044 10.3044 10.3348 10.3348 10.3417 10.3417 k = 0.0000 0.1111-0.0000 ( 3603 PWs) bands (ev): -34.0859 -34.0859 -25.3436 -25.3436 -17.9082 -17.9082 -17.8102 -17.8102 -17.7713 -17.7713 -15.4543 -15.4543 -15.1168 -15.1168 -15.0481 -15.0481 -8.9800 -8.9800 -8.7144 -8.7144 -8.7122 -8.7122 0.4051 0.4051 0.4549 0.4549 0.4555 0.4555 0.9106 0.9106 0.9132 0.9132 0.9398 0.9398 1.0365 1.0365 1.1357 1.1357 1.1695 1.1695 7.6974 7.6974 10.3128 10.3128 10.3528 10.3528 10.3598 10.3598 k = 0.0000 0.1250-0.0000 ( 3595 PWs) bands (ev): -34.0857 -34.0857 -25.3435 -25.3435 -17.9184 -17.9184 -17.8163 -17.8163 -17.7712 -17.7712 -15.4485 -15.4485 -15.1166 -15.1166 -15.0297 -15.0297 -8.9800 -8.9800 -8.7147 -8.7147 -8.7119 -8.7119 0.3932 0.3932 0.4566 0.4566 0.4569 0.4569 0.9055 0.9055 0.9089 0.9089 0.9352 0.9352 1.0113 1.0113 1.1309 1.1309 1.1669 1.1669 7.7392 7.7392 10.3222 10.3222 10.3729 10.3729 10.3800 10.3800 k = 0.0000 0.1389-0.0000 ( 3595 PWs) bands (ev): -34.0856 -34.0856 -25.3433 -25.3433 -17.9306 -17.9306 -17.8217 -17.8217 -17.7711 -17.7711 -15.4429 -15.4429 -15.1164 -15.1164 -15.0092 -15.0092 -8.9801 -8.9801 -8.7151 -8.7151 -8.7117 -8.7117 0.3799 0.3799 0.4585 0.4585 0.4586 0.4586 0.8998 0.8998 0.9042 0.9042 0.9303 0.9303 0.9837 0.9837 1.1266 1.1266 1.1642 1.1642 7.7852 7.7852 10.3324 10.3324 10.3950 10.3950 10.4022 10.4022 k = 0.0000 0.1528-0.0000 ( 3587 PWs) bands (ev): -34.0854 -34.0854 -25.3432 -25.3432 -17.9446 -17.9446 -17.8262 -17.8262 -17.7711 -17.7711 -15.4374 -15.4374 -15.1162 -15.1162 -14.9868 -14.9868 -8.9801 -8.9801 -8.7155 -8.7155 -8.7114 -8.7114 0.3651 0.3651 0.4604 0.4604 0.4606 0.4606 0.8935 0.8935 0.8989 0.8989 0.9249 0.9249 0.9543 0.9543 1.1225 1.1225 1.1614 1.1614 7.8354 7.8354 10.3436 10.3436 10.4190 10.4190 10.4264 10.4264 k = 0.0000 0.1667-0.0000 ( 3579 PWs) bands (ev): -34.0852 -34.0852 -25.3431 -25.3431 -17.9602 -17.9602 -17.8299 -17.8299 -17.7710 -17.7710 -15.4322 -15.4322 -15.1160 -15.1160 -14.9628 -14.9628 -8.9802 -8.9802 -8.7159 -8.7159 -8.7110 -8.7110 0.3487 0.3487 0.4624 0.4624 0.4629 0.4629 0.8863 0.8863 0.8932 0.8932 0.9192 0.9192 0.9239 0.9239 1.1186 1.1186 1.1585 1.1585 7.8896 7.8896 10.3557 10.3557 10.4449 10.4449 10.4525 10.4525 k = 0.0000 0.1806-0.0000 ( 3579 PWs) bands (ev): -34.0850 -34.0850 -25.3429 -25.3429 -17.9771 -17.9771 -17.8330 -17.8330 -17.7709 -17.7709 -15.4273 -15.4273 -15.1158 -15.1158 -14.9373 -14.9373 -8.9803 -8.9803 -8.7163 -8.7163 -8.7107 -8.7107 0.3308 0.3308 0.4646 0.4646 0.4655 0.4655 0.8776 0.8776 0.8870 0.8870 0.8936 0.8936 0.9133 0.9133 1.1148 1.1148 1.1555 1.1555 7.9477 7.9477 10.3685 10.3685 10.4724 10.4724 10.4801 10.4801 k = 0.0000 0.1944-0.0000 ( 3587 PWs) bands (ev): -34.0848 -34.0848 -25.3428 -25.3428 -17.9950 -17.9950 -17.8355 -17.8355 -17.7708 -17.7708 -15.4228 -15.4228 -15.1156 -15.1156 -14.9105 -14.9105 -8.9804 -8.9804 -8.7168 -8.7168 -8.7104 -8.7104 0.3114 0.3114 0.4670 0.4670 0.4683 0.4683 0.8574 0.8574 0.8740 0.8740 0.8804 0.8804 0.9071 0.9071 1.1110 1.1110 1.1524 1.1524 8.0094 8.0094 10.3820 10.3820 10.5013 10.5013 10.5093 10.5093 k = 0.0000 0.2083-0.0000 ( 3595 PWs) bands (ev): -34.0846 -34.0846 -25.3427 -25.3427 -18.0135 -18.0135 -17.8376 -17.8376 -17.7707 -17.7707 -15.4187 -15.4187 -15.1154 -15.1154 -14.8827 -14.8827 -8.9804 -8.9804 -8.7172 -8.7172 -8.7101 -8.7101 0.2905 0.2905 0.4696 0.4696 0.4713 0.4713 0.8268 0.8268 0.8644 0.8644 0.8732 0.8732 0.9009 0.9009 1.1075 1.1075 1.1494 1.1494 8.0744 8.0744 10.3961 10.3961 10.5315 10.5315 10.5397 10.5397 k = 0.0000 0.2222-0.0000 ( 3571 PWs) bands (ev): -34.0843 -34.0843 -25.3425 -25.3425 -18.0325 -18.0325 -17.8394 -17.8394 -17.7705 -17.7705 -15.4148 -15.4148 -15.1151 -15.1151 -14.8540 -14.8540 -8.9805 -8.9805 -8.7177 -8.7177 -8.7097 -8.7097 0.2681 0.2681 0.4724 0.4724 0.4747 0.4747 0.7958 0.7958 0.8553 0.8553 0.8656 0.8656 0.8946 0.8946 1.1040 1.1040 1.1464 1.1464 8.1428 8.1428 10.4109 10.4109 10.5630 10.5630 10.5715 10.5715 k = 0.0000 0.2361-0.0000 ( 3575 PWs) bands (ev): -34.0841 -34.0841 -25.3424 -25.3424 -18.0518 -18.0518 -17.8409 -17.8409 -17.7704 -17.7704 -15.4113 -15.4113 -15.1149 -15.1149 -14.8250 -14.8250 -8.9806 -8.9806 -8.7181 -8.7181 -8.7094 -8.7094 0.2443 0.2443 0.4754 0.4754 0.4782 0.4782 0.7655 0.7655 0.8459 0.8459 0.8576 0.8576 0.8882 0.8882 1.1006 1.1006 1.1435 1.1435 8.2141 8.2141 10.4261 10.4261 10.5954 10.5954 10.6041 10.6041 k = 0.0000 0.2500-0.0000 ( 3575 PWs) bands (ev): -34.0839 -34.0839 -25.3422 -25.3422 -18.0710 -18.0710 -17.8422 -17.8422 -17.7703 -17.7703 -15.4082 -15.4082 -15.1147 -15.1147 -14.7957 -14.7957 -8.9807 -8.9807 -8.7186 -8.7186 -8.7090 -8.7090 0.2192 0.2192 0.4786 0.4786 0.4819 0.4819 0.7364 0.7364 0.8362 0.8362 0.8492 0.8492 0.8820 0.8820 1.0974 1.0974 1.1406 1.1406 8.2882 8.2882 10.4417 10.4417 10.6286 10.6286 10.6376 10.6376 k = 0.0000 0.2639-0.0000 ( 3575 PWs) bands (ev): -34.0836 -34.0836 -25.3421 -25.3421 -18.0900 -18.0900 -17.8433 -17.8433 -17.7702 -17.7702 -15.4053 -15.4053 -15.1145 -15.1145 -14.7663 -14.7663 -8.9808 -8.9808 -8.7191 -8.7191 -8.7087 -8.7087 0.1929 0.1929 0.4820 0.4820 0.4860 0.4860 0.7086 0.7086 0.8263 0.8263 0.8404 0.8404 0.8758 0.8758 1.0943 1.0943 1.1378 1.1378 8.3649 8.3649 10.4576 10.4576 10.6623 10.6623 10.6717 10.6717 k = 0.0000 0.2778-0.0000 ( 3563 PWs) bands (ev): -34.0834 -34.0834 -25.3419 -25.3419 -18.1086 -18.1086 -17.8443 -17.8443 -17.7701 -17.7701 -15.4027 -15.4027 -15.1142 -15.1142 -14.7372 -14.7372 -8.9809 -8.9809 -8.7195 -8.7195 -8.7083 -8.7083 0.1659 0.1659 0.4856 0.4856 0.4902 0.4902 0.6825 0.6825 0.8160 0.8160 0.8313 0.8313 0.8698 0.8698 1.0913 1.0913 1.1351 1.1351 8.4440 8.4440 10.4736 10.4736 10.6965 10.6965 10.7021 10.7021 k = 0.0000 0.2917-0.0000 ( 3563 PWs) bands (ev): -34.0832 -34.0832 -25.3417 -25.3417 -18.1268 -18.1268 -17.8451 -17.8451 -17.7700 -17.7700 -15.4004 -15.4004 -15.1140 -15.1140 -14.7087 -14.7087 -8.9810 -8.9810 -8.7200 -8.7200 -8.7080 -8.7080 0.1381 0.1381 0.4893 0.4893 0.4947 0.4947 0.6581 0.6581 0.8055 0.8055 0.8219 0.8219 0.8640 0.8640 1.0885 1.0885 1.1325 1.1325 8.5251 8.5251 10.4897 10.4897 10.7018 10.7018 10.7308 10.7308 k = 0.0000 0.3056-0.0000 ( 3571 PWs) bands (ev): -34.0830 -34.0830 -25.3416 -25.3416 -18.1443 -18.1443 -17.8459 -17.8459 -17.7699 -17.7699 -15.3983 -15.3983 -15.1138 -15.1138 -14.6808 -14.6808 -8.9811 -8.9811 -8.7204 -8.7204 -8.7076 -8.7076 0.1100 0.1100 0.4932 0.4932 0.4994 0.4994 0.6356 0.6356 0.7949 0.7949 0.8125 0.8125 0.8584 0.8584 1.0859 1.0859 1.1300 1.1300 8.6080 8.6080 10.5057 10.5057 10.6967 10.6967 10.7649 10.7649 k = 0.0000 0.3194-0.0000 ( 3559 PWs) bands (ev): -34.0828 -34.0828 -25.3415 -25.3415 -18.1611 -18.1611 -17.8466 -17.8466 -17.7698 -17.7698 -15.3964 -15.3964 -15.1136 -15.1136 -14.6539 -14.6539 -8.9811 -8.9811 -8.7208 -8.7208 -8.7073 -8.7073 0.0820 0.0820 0.4973 0.4973 0.5044 0.5044 0.6149 0.6149 0.7842 0.7842 0.8029 0.8029 0.8531 0.8531 1.0834 1.0834 1.1277 1.1277 8.6924 8.6924 10.5215 10.5215 10.6865 10.6865 10.7988 10.7988 k = 0.0000 0.3333-0.0000 ( 3567 PWs) bands (ev): -34.0826 -34.0826 -25.3413 -25.3413 -18.1770 -18.1770 -17.8472 -17.8472 -17.7697 -17.7697 -15.3948 -15.3948 -15.1134 -15.1134 -14.6282 -14.6282 -8.9813 -8.9813 -8.7212 -8.7212 -8.7070 -8.7070 0.0543 0.0543 0.5015 0.5015 0.5095 0.5095 0.5960 0.5960 0.7734 0.7734 0.7934 0.7934 0.8480 0.8480 1.0811 1.0811 1.1256 1.1256 8.7781 8.7781 10.5370 10.5370 10.6708 10.6708 10.8320 10.8320 k = 0.0000 0.3472-0.0000 ( 3563 PWs) bands (ev): -34.0824 -34.0824 -25.3412 -25.3412 -18.1920 -18.1920 -17.8478 -17.8478 -17.7696 -17.7696 -15.3933 -15.3933 -15.1132 -15.1132 -14.6037 -14.6037 -8.9813 -8.9813 -8.7216 -8.7216 -8.7067 -8.7067 0.0274 0.0274 0.5058 0.5058 0.5148 0.5148 0.5789 0.5789 0.7627 0.7627 0.7839 0.7839 0.8432 0.8432 1.0790 1.0790 1.1236 1.1236 8.8646 8.8646 10.5519 10.5519 10.6494 10.6494 10.8642 10.8642 k = 0.0000 0.3611-0.0000 ( 3563 PWs) bands (ev): -34.0822 -34.0822 -25.3411 -25.3411 -18.2059 -18.2059 -17.8482 -17.8482 -17.7695 -17.7695 -15.3920 -15.3920 -15.1130 -15.1130 -14.5808 -14.5808 -8.9814 -8.9814 -8.7219 -8.7219 -8.7064 -8.7064 0.0015 0.0015 0.5101 0.5101 0.5201 0.5201 0.5637 0.5637 0.7521 0.7521 0.7747 0.7747 0.8387 0.8387 1.0770 1.0770 1.1217 1.1217 8.9515 8.9515 10.5663 10.5663 10.6223 10.6223 10.8953 10.8953 k = 0.0000 0.3750-0.0000 ( 3563 PWs) bands (ev): -34.0820 -34.0820 -25.3410 -25.3410 -18.2187 -18.2187 -17.8487 -17.8487 -17.7695 -17.7695 -15.3908 -15.3908 -15.1129 -15.1129 -14.5596 -14.5596 -8.9815 -8.9815 -8.7223 -8.7223 -8.7062 -8.7062 -0.0230 -0.0230 0.5145 0.5145 0.5252 0.5252 0.5506 0.5506 0.7417 0.7417 0.7657 0.7657 0.8346 0.8346 1.0752 1.0752 1.1200 1.1200 9.0384 9.0384 10.5799 10.5799 10.5897 10.5897 10.9247 10.9247 k = 0.0000 0.3889-0.0000 ( 3551 PWs) bands (ev): -34.0819 -34.0819 -25.3409 -25.3409 -18.2304 -18.2304 -17.8491 -17.8491 -17.7694 -17.7694 -15.3898 -15.3898 -15.1127 -15.1127 -14.5401 -14.5401 -8.9816 -8.9816 -8.7225 -8.7225 -8.7059 -8.7059 -0.0457 -0.0457 0.5188 0.5188 0.5283 0.5283 0.5410 0.5410 0.7316 0.7316 0.7572 0.7572 0.8308 0.8308 1.0737 1.0737 1.1185 1.1185 9.1247 9.1247 10.5520 10.5520 10.5926 10.5926 10.9524 10.9524 k = 0.0000 0.4028-0.0000 ( 3551 PWs) bands (ev): -34.0817 -34.0817 -25.3408 -25.3408 -18.2408 -18.2408 -17.8494 -17.8494 -17.7693 -17.7693 -15.3889 -15.3889 -15.1125 -15.1125 -14.5227 -14.5227 -8.9816 -8.9816 -8.7228 -8.7228 -8.7057 -8.7057 -0.0664 -0.0664 0.5230 0.5230 0.5238 0.5238 0.5407 0.5407 0.7219 0.7219 0.7491 0.7491 0.8275 0.8275 1.0722 1.0722 1.1172 1.1172 9.2096 9.2096 10.5097 10.5097 10.6042 10.6042 10.9778 10.9778 k = 0.0000 0.4167-0.0000 ( 3555 PWs) bands (ev): -34.0816 -34.0816 -25.3407 -25.3407 -18.2499 -18.2499 -17.8497 -17.8497 -17.7693 -17.7693 -15.3882 -15.3882 -15.1124 -15.1124 -14.5073 -14.5073 -8.9817 -8.9817 -8.7231 -8.7231 -8.7055 -8.7055 -0.0849 -0.0849 0.5158 0.5158 0.5269 0.5269 0.5452 0.5452 0.7127 0.7127 0.7418 0.7418 0.8245 0.8245 1.0710 1.0710 1.1160 1.1160 9.2922 9.2922 10.4638 10.4638 10.6145 10.6145 11.0007 11.0007 k = 0.0000 0.4306-0.0000 ( 3551 PWs) bands (ev): -34.0815 -34.0815 -25.3406 -25.3406 -18.2577 -18.2577 -17.8500 -17.8500 -17.7692 -17.7692 -15.3875 -15.3875 -15.1123 -15.1123 -14.4941 -14.4941 -8.9818 -8.9818 -8.7233 -8.7233 -8.7053 -8.7053 -0.1008 -0.1008 0.5085 0.5085 0.5306 0.5306 0.5502 0.5502 0.7043 0.7043 0.7352 0.7352 0.8220 0.8220 1.0700 1.0700 1.1150 1.1150 9.3711 9.3711 10.4157 10.4157 10.6235 10.6235 11.0207 11.0207 k = 0.0000 0.4444-0.0000 ( 3551 PWs) bands (ev): -34.0814 -34.0814 -25.3406 -25.3406 -18.2641 -18.2641 -17.8502 -17.8502 -17.7692 -17.7692 -15.3870 -15.3870 -15.1122 -15.1122 -14.4832 -14.4832 -8.9818 -8.9818 -8.7234 -8.7234 -8.7052 -8.7052 -0.1142 -0.1142 0.5025 0.5025 0.5338 0.5338 0.5550 0.5550 0.6969 0.6969 0.7295 0.7295 0.8199 0.8199 1.0691 1.0691 1.1142 1.1142 9.4444 9.4444 10.3674 10.3674 10.6311 10.6311 11.0376 11.0376 k = 0.0000 0.4583-0.0000 ( 3551 PWs) bands (ev): -34.0813 -34.0813 -25.3405 -25.3405 -18.2691 -18.2691 -17.8503 -17.8503 -17.7691 -17.7691 -15.3866 -15.3866 -15.1122 -15.1122 -14.4746 -14.4746 -8.9819 -8.9819 -8.7236 -8.7236 -8.7051 -8.7051 -0.1247 -0.1247 0.4978 0.4978 0.5365 0.5365 0.5592 0.5592 0.6906 0.6906 0.7249 0.7249 0.8183 0.8183 1.0685 1.0685 1.1135 1.1135 9.5094 9.5094 10.3217 10.3217 10.6371 10.6371 11.0511 11.0511 k = 0.0000 0.4722-0.0000 ( 3559 PWs) bands (ev): -34.0813 -34.0813 -25.3405 -25.3405 -18.2727 -18.2727 -17.8504 -17.8504 -17.7691 -17.7691 -15.3864 -15.3864 -15.1121 -15.1121 -14.4685 -14.4685 -8.9819 -8.9819 -8.7237 -8.7237 -8.7050 -8.7050 -0.1323 -0.1323 0.4944 0.4944 0.5385 0.5385 0.5626 0.5626 0.6858 0.6858 0.7215 0.7215 0.8170 0.8170 1.0680 1.0680 1.1131 1.1131 9.5620 9.5620 10.2828 10.2828 10.6414 10.6414 11.0609 11.0609 k = 0.0000 0.4861-0.0000 ( 3546 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2749 -18.2749 -17.8505 -17.8505 -17.7691 -17.7691 -15.3862 -15.3862 -15.1121 -15.1121 -14.4647 -14.4647 -8.9819 -8.9819 -8.7237 -8.7237 -8.7050 -8.7050 -0.1369 -0.1369 0.4924 0.4924 0.5397 0.5397 0.5647 0.5647 0.6828 0.6828 0.7194 0.7194 0.8163 0.8163 1.0677 1.0677 1.1128 1.1128 9.5971 9.5971 10.2559 10.2559 10.6441 10.6441 11.0668 11.0668 k = 0.0000 0.5000-0.0000 ( 3546 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2756 -18.2756 -17.8505 -17.8505 -17.7691 -17.7691 -15.3861 -15.3861 -15.1121 -15.1121 -14.4635 -14.4635 -8.9819 -8.9819 -8.7237 -8.7237 -8.7050 -8.7050 -0.1384 -0.1384 0.4918 0.4918 0.5401 0.5401 0.5655 0.5655 0.6817 0.6817 0.7187 0.7187 0.8161 0.8161 1.0676 1.0676 1.1127 1.1127 9.6095 9.6095 10.2462 10.2462 10.6450 10.6450 11.0688 11.0688 k = 0.0000 0.5000-0.0000 ( 3546 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2756 -18.2756 -17.8505 -17.8505 -17.7691 -17.7691 -15.3861 -15.3861 -15.1121 -15.1121 -14.4635 -14.4635 -8.9819 -8.9819 -8.7237 -8.7237 -8.7050 -8.7050 -0.1384 -0.1384 0.4918 0.4918 0.5401 0.5401 0.5655 0.5655 0.6817 0.6817 0.7187 0.7187 0.8161 0.8161 1.0676 1.0676 1.1127 1.1127 9.6095 9.6095 10.2462 10.2462 10.6450 10.6450 11.0688 11.0688 k = 0.0139 0.5000-0.0000 ( 3546 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2756 -18.2756 -17.8510 -17.8510 -17.7697 -17.7697 -15.3853 -15.3853 -15.1113 -15.1113 -14.4634 -14.4634 -8.9819 -8.9819 -8.7237 -8.7237 -8.7050 -8.7050 -0.1385 -0.1385 0.4891 0.4891 0.5399 0.5399 0.5652 0.5652 0.6815 0.6815 0.7176 0.7176 0.8198 0.8198 1.0667 1.0667 1.1118 1.1118 9.6112 9.6112 10.2476 10.2476 10.6455 10.6455 11.0686 11.0686 k = 0.0278 0.5000-0.0000 ( 3550 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2756 -18.2756 -17.8526 -17.8526 -17.7714 -17.7714 -15.3830 -15.3830 -15.1089 -15.1089 -14.4634 -14.4634 -8.9820 -8.9820 -8.7238 -8.7238 -8.7051 -8.7051 -0.1386 -0.1386 0.4813 0.4813 0.5391 0.5391 0.5645 0.5645 0.6810 0.6810 0.7150 0.7150 0.8302 0.8302 1.0639 1.0639 1.1091 1.1091 9.6165 9.6165 10.2518 10.2518 10.6469 10.6469 11.0677 11.0677 k = 0.0417 0.5000-0.0000 ( 3550 PWs) bands (ev): -34.0811 -34.0811 -25.3404 -25.3404 -18.2756 -18.2756 -17.8553 -17.8553 -17.7742 -17.7742 -15.3791 -15.3791 -15.1048 -15.1048 -14.4632 -14.4632 -8.9822 -8.9822 -8.7240 -8.7240 -8.7052 -8.7052 -0.1388 -0.1388 0.4687 0.4687 0.5375 0.5375 0.5636 0.5636 0.6803 0.6803 0.7119 0.7119 0.8454 0.8454 1.0590 1.0590 1.1049 1.1049 9.6252 9.6252 10.2587 10.2587 10.6494 10.6494 11.0660 11.0660 k = 0.0556 0.5000-0.0000 ( 3550 PWs) bands (ev): -34.0811 -34.0811 -25.3403 -25.3403 -18.2757 -18.2757 -17.8593 -17.8593 -17.7776 -17.7776 -15.3739 -15.3739 -15.0990 -15.0990 -14.4630 -14.4630 -8.9824 -8.9824 -8.7242 -8.7242 -8.7055 -8.7055 -0.1391 -0.1391 0.4522 0.4522 0.5350 0.5350 0.5626 0.5626 0.6797 0.6797 0.7089 0.7089 0.8640 0.8640 1.0518 1.0518 1.0996 1.0996 9.6373 9.6373 10.2683 10.2683 10.6528 10.6528 11.0635 11.0635 k = 0.0694 0.5000-0.0000 ( 3558 PWs) bands (ev): -34.0810 -34.0810 -25.3403 -25.3403 -18.2757 -18.2757 -17.8650 -17.8650 -17.7815 -17.7815 -15.3678 -15.3678 -15.0914 -15.0914 -14.4628 -14.4628 -8.9826 -8.9826 -8.7245 -8.7245 -8.7057 -8.7057 -0.1396 -0.1396 0.4325 0.4325 0.5312 0.5312 0.5619 0.5619 0.6793 0.6793 0.7062 0.7062 0.8846 0.8846 1.0421 1.0421 1.0936 1.0936 9.6528 9.6528 10.2804 10.2804 10.6570 10.6570 11.0598 11.0598 k = 0.0833 0.5000-0.0000 ( 3558 PWs) bands (ev): -34.0809 -34.0809 -25.3402 -25.3402 -18.2757 -18.2757 -17.8724 -17.8724 -17.7855 -17.7855 -15.3608 -15.3608 -15.0818 -15.0818 -14.4624 -14.4624 -8.9830 -8.9830 -8.7249 -8.7249 -8.7060 -8.7060 -0.1401 -0.1401 0.4103 0.4103 0.5258 0.5258 0.5616 0.5616 0.6793 0.6793 0.7039 0.7039 0.9065 0.9065 1.0300 1.0300 1.0873 1.0873 9.6716 9.6716 10.2950 10.2950 10.6621 10.6621 11.0550 11.0550 k = 0.0972 0.5000-0.0000 ( 3564 PWs) bands (ev): -34.0808 -34.0808 -25.3401 -25.3401 -18.2758 -18.2758 -17.8817 -17.8817 -17.7892 -17.7892 -15.3533 -15.3533 -15.0701 -15.0701 -14.4620 -14.4620 -8.9834 -8.9834 -8.7253 -8.7253 -8.7064 -8.7064 -0.1407 -0.1407 0.3863 0.3863 0.5187 0.5187 0.5618 0.5618 0.6796 0.6796 0.7018 0.7018 0.9290 0.9290 1.0156 1.0156 1.0807 1.0807 9.6936 9.6936 10.3118 10.3118 10.6679 10.6679 11.0491 11.0491 k = 0.1111 0.5000-0.0000 ( 3560 PWs) bands (ev): -34.0806 -34.0806 -25.3401 -25.3401 -18.2758 -18.2758 -17.8929 -17.8929 -17.7925 -17.7925 -15.3456 -15.3456 -15.0563 -15.0563 -14.4615 -14.4615 -8.9838 -8.9838 -8.7259 -8.7259 -8.7068 -8.7068 -0.1414 -0.1414 0.3611 0.3611 0.5096 0.5096 0.5624 0.5624 0.6802 0.6802 0.7000 0.7000 0.9518 0.9518 0.9996 0.9996 1.0739 1.0739 9.7188 9.7188 10.3306 10.3306 10.6746 10.6746 11.0423 11.0423 k = 0.1250 0.5000-0.0000 ( 3564 PWs) bands (ev): -34.0805 -34.0805 -25.3400 -25.3400 -18.2759 -18.2759 -17.9060 -17.9060 -17.7953 -17.7953 -15.3380 -15.3380 -15.0404 -15.0404 -14.4609 -14.4609 -8.9843 -8.9843 -8.7265 -8.7265 -8.7071 -8.7071 -0.1423 -0.1423 0.3350 0.3350 0.4986 0.4986 0.5634 0.5634 0.6809 0.6809 0.6984 0.6984 0.9728 0.9728 0.9839 0.9839 1.0669 1.0669 9.7469 9.7469 10.3514 10.3514 10.6817 10.6817 11.0347 11.0347 k = 0.1389 0.5000-0.0000 ( 3576 PWs) bands (ev): -34.0803 -34.0803 -25.3399 -25.3399 -18.2760 -18.2760 -17.9208 -17.9208 -17.7976 -17.7976 -15.3306 -15.3306 -15.0224 -15.0224 -14.4603 -14.4603 -8.9848 -8.9848 -8.7272 -8.7272 -8.7075 -8.7075 -0.1433 -0.1433 0.3083 0.3083 0.4854 0.4854 0.5647 0.5647 0.6815 0.6815 0.6973 0.6973 0.9623 0.9623 0.9985 0.9985 1.0595 1.0595 9.7778 9.7778 10.3737 10.3737 10.6895 10.6895 11.0264 11.0264 k = 0.1528 0.5000-0.0000 ( 3574 PWs) bands (ev): -34.0801 -34.0801 -25.3397 -25.3397 -18.2760 -18.2760 -17.9369 -17.9369 -17.7994 -17.7994 -15.3237 -15.3237 -15.0023 -15.0023 -14.4595 -14.4595 -8.9854 -8.9854 -8.7279 -8.7279 -8.7079 -8.7079 -0.1445 -0.1445 0.2815 0.2815 0.4701 0.4701 0.5664 0.5664 0.6818 0.6818 0.6967 0.6967 0.9438 0.9438 1.0205 1.0205 1.0520 1.0520 9.8115 9.8115 10.3975 10.3975 10.6977 10.6977 11.0178 11.0178 k = 0.1667 0.5000-0.0000 ( 3574 PWs) bands (ev): -34.0799 -34.0799 -25.3396 -25.3396 -18.2761 -18.2761 -17.9543 -17.9543 -17.8009 -17.8009 -15.3173 -15.3173 -14.9803 -14.9803 -14.4587 -14.4587 -8.9860 -8.9860 -8.7288 -8.7288 -8.7083 -8.7083 -0.1458 -0.1458 0.2545 0.2545 0.4525 0.4525 0.5684 0.5684 0.6814 0.6814 0.6971 0.6971 0.9252 0.9252 1.0398 1.0398 1.0466 1.0466 9.8476 9.8476 10.4224 10.4224 10.7064 10.7064 11.0087 11.0087 k = 0.1806 0.5000-0.0000 ( 3578 PWs) bands (ev): -34.0797 -34.0797 -25.3395 -25.3395 -18.2762 -18.2762 -17.9726 -17.9726 -17.8020 -17.8020 -15.3114 -15.3114 -14.9568 -14.9568 -14.4577 -14.4577 -8.9866 -8.9866 -8.7297 -8.7297 -8.7086 -8.7086 -0.1474 -0.1474 0.2278 0.2278 0.4326 0.4326 0.5706 0.5706 0.6803 0.6803 0.6983 0.6983 0.9070 0.9070 1.0348 1.0348 1.0645 1.0645 9.8859 9.8859 10.4483 10.4483 10.7154 10.7154 10.9994 10.9994 k = 0.1944 0.5000-0.0000 ( 3576 PWs) bands (ev): -34.0795 -34.0795 -25.3394 -25.3394 -18.2763 -18.2763 -17.9915 -17.9915 -17.8029 -17.8029 -15.3062 -15.3062 -14.9318 -14.9318 -14.4566 -14.4566 -8.9873 -8.9873 -8.7307 -8.7307 -8.7089 -8.7089 -0.1492 -0.1492 0.2013 0.2013 0.4104 0.4104 0.5731 0.5731 0.6787 0.6787 0.7001 0.7001 0.8898 0.8898 1.0263 1.0263 1.0850 1.0850 9.9262 9.9262 10.4749 10.4749 10.7246 10.7246 10.9899 10.9899 k = 0.2083 0.5000-0.0000 ( 3576 PWs) bands (ev): -34.0793 -34.0793 -25.3392 -25.3392 -18.2764 -18.2764 -18.0108 -18.0108 -17.8036 -17.8036 -15.3015 -15.3015 -14.9059 -14.9059 -14.4553 -14.4553 -8.9880 -8.9880 -8.7318 -8.7318 -8.7092 -8.7092 -0.1513 -0.1513 0.1753 0.1753 0.3863 0.3863 0.5758 0.5758 0.6768 0.6768 0.7024 0.7024 0.8737 0.8737 1.0174 1.0174 1.1050 1.1050 9.9682 9.9682 10.5020 10.5020 10.7339 10.7339 10.9803 10.9803 k = 0.2222 0.5000-0.0000 ( 3572 PWs) bands (ev): -34.0791 -34.0791 -25.3391 -25.3391 -18.2765 -18.2765 -18.0304 -18.0304 -17.8042 -17.8042 -15.2973 -15.2973 -14.8791 -14.8791 -14.4538 -14.4538 -8.9887 -8.9887 -8.7329 -8.7329 -8.7094 -8.7094 -0.1537 -0.1537 0.1498 0.1498 0.3603 0.3603 0.5786 0.5786 0.6745 0.6745 0.7050 0.7050 0.8589 0.8589 1.0082 1.0082 1.1241 1.1241 10.0114 10.0114 10.5293 10.5293 10.7433 10.7433 10.9707 10.9707 k = 0.2361 0.5000-0.0000 ( 3568 PWs) bands (ev): -34.0788 -34.0788 -25.3389 -25.3389 -18.2766 -18.2766 -18.0501 -18.0501 -17.8046 -17.8046 -15.2936 -15.2936 -14.8519 -14.8519 -14.4521 -14.4521 -8.9894 -8.9894 -8.7340 -8.7340 -8.7096 -8.7096 -0.1565 -0.1565 0.1250 0.1250 0.3328 0.3328 0.5817 0.5817 0.6722 0.6722 0.7078 0.7078 0.8455 0.8455 0.9988 0.9988 1.1425 1.1425 10.0557 10.0557 10.5567 10.5567 10.7527 10.7527 10.9611 10.9611 k = 0.2500 0.5000-0.0000 ( 3576 PWs) bands (ev): -34.0786 -34.0786 -25.3388 -25.3388 -18.2768 -18.2768 -18.0696 -18.0696 -17.8049 -17.8049 -15.2903 -15.2903 -14.8246 -14.8246 -14.4502 -14.4502 -8.9902 -8.9902 -8.7353 -8.7353 -8.7098 -8.7098 -0.1598 -0.1598 0.1010 0.1010 0.3043 0.3043 0.5849 0.5849 0.6697 0.6697 0.7107 0.7107 0.8335 0.8335 0.9892 0.9892 1.1600 1.1600 10.1004 10.1004 10.5838 10.5838 10.7619 10.7619 10.9517 10.9517 k = 0.2639 0.5000-0.0000 ( 3564 PWs) bands (ev): -34.0784 -34.0784 -25.3386 -25.3386 -18.2769 -18.2769 -18.0889 -18.0889 -17.8052 -17.8052 -15.2874 -15.2874 -14.7975 -14.7975 -14.4480 -14.4480 -8.9909 -8.9909 -8.7364 -8.7364 -8.7100 -8.7100 -0.1635 -0.1635 0.0777 0.0777 0.2752 0.2752 0.5884 0.5884 0.6672 0.6672 0.7136 0.7136 0.8228 0.8228 0.9796 0.9796 1.1766 1.1766 10.1453 10.1453 10.6106 10.6106 10.7710 10.7710 10.9425 10.9425 k = 0.2778 0.5000-0.0000 ( 3566 PWs) bands (ev): -34.0782 -34.0782 -25.3385 -25.3385 -18.2771 -18.2771 -18.1076 -18.1076 -17.8054 -17.8054 -15.2848 -15.2848 -14.7709 -14.7709 -14.4455 -14.4455 -8.9917 -8.9917 -8.7377 -8.7377 -8.7101 -8.7101 -0.1678 -0.1678 0.0554 0.0554 0.2460 0.2460 0.5919 0.5919 0.6647 0.6647 0.7165 0.7165 0.8135 0.8135 0.9699 0.9699 1.1923 1.1923 10.1898 10.1898 10.6368 10.6368 10.7799 10.7799 10.9336 10.9336 k = 0.2917 0.5000-0.0000 ( 3558 PWs) bands (ev): -34.0779 -34.0779 -25.3383 -25.3383 -18.2773 -18.2773 -18.1258 -18.1258 -17.8055 -17.8055 -15.2826 -15.2826 -14.7451 -14.7451 -14.4427 -14.4427 -8.9924 -8.9924 -8.7389 -8.7389 -8.7102 -8.7102 -0.1727 -0.1727 0.0341 0.0341 0.2172 0.2172 0.5956 0.5956 0.6623 0.6623 0.7192 0.7192 0.8053 0.8053 0.9602 0.9602 1.2071 1.2071 10.2334 10.2334 10.6623 10.6623 10.7884 10.7884 10.9250 10.9250 k = 0.3056 0.5000-0.0000 ( 3566 PWs) bands (ev): -34.0777 -34.0777 -25.3382 -25.3382 -18.2775 -18.2775 -18.1434 -18.1434 -17.8056 -17.8056 -15.2806 -15.2806 -14.7204 -14.7204 -14.4394 -14.4394 -8.9931 -8.9931 -8.7401 -8.7401 -8.7103 -8.7103 -0.1784 -0.1784 0.0139 0.0139 0.1892 0.1892 0.5994 0.5994 0.6598 0.6598 0.7219 0.7219 0.7983 0.7983 0.9505 0.9505 1.2209 1.2209 10.2757 10.2757 10.6868 10.6868 10.7966 10.7966 10.9167 10.9167 k = 0.3194 0.5000-0.0000 ( 3566 PWs) bands (ev): -34.0775 -34.0775 -25.3381 -25.3381 -18.2778 -18.2778 -18.1601 -18.1601 -17.8056 -17.8056 -15.2789 -15.2789 -14.6971 -14.6971 -14.4357 -14.4357 -8.9939 -8.9939 -8.7413 -8.7413 -8.7104 -8.7104 -0.1848 -0.1848 -0.0053 -0.0053 0.1626 0.1626 0.6033 0.6033 0.6575 0.6575 0.7243 0.7243 0.7923 0.7923 0.9410 0.9410 1.2338 1.2338 10.3162 10.3162 10.7102 10.7102 10.8043 10.8043 10.9089 10.9089 k = 0.3333 0.5000-0.0000 ( 3558 PWs) bands (ev): -34.0773 -34.0773 -25.3379 -25.3379 -18.2781 -18.2781 -18.1758 -18.1758 -17.8057 -17.8057 -15.2773 -15.2773 -14.6754 -14.6754 -14.4315 -14.4315 -8.9945 -8.9945 -8.7424 -8.7424 -8.7104 -8.7104 -0.1920 -0.1920 -0.0233 -0.0233 0.1377 0.1377 0.6072 0.6072 0.6552 0.6552 0.7264 0.7264 0.7872 0.7872 0.9318 0.9318 1.2458 1.2458 10.3546 10.3546 10.7324 10.7324 10.8118 10.8118 10.9015 10.9015 k = 0.3472 0.5000-0.0000 ( 3564 PWs) bands (ev): -34.0771 -34.0771 -25.3378 -25.3378 -18.2785 -18.2785 -18.1905 -18.1905 -17.8057 -17.8057 -15.2759 -15.2759 -14.6556 -14.6556 -14.4268 -14.4268 -8.9952 -8.9952 -8.7435 -8.7435 -8.7105 -8.7105 -0.2000 -0.2000 -0.0400 -0.0400 0.1149 0.1149 0.6112 0.6112 0.6530 0.6530 0.7283 0.7283 0.7830 0.7830 0.9228 0.9228 1.2567 1.2567 10.3903 10.3903 10.7532 10.7532 10.8186 10.8186 10.8946 10.8946 k = 0.3611 0.5000-0.0000 ( 3564 PWs) bands (ev): -34.0769 -34.0769 -25.3377 -25.3377 -18.2790 -18.2790 -18.2041 -18.2041 -17.8057 -17.8057 -15.2747 -15.2747 -14.6377 -14.6377 -14.4216 -14.4216 -8.9958 -8.9958 -8.7445 -8.7445 -8.7105 -8.7105 -0.2087 -0.2087 -0.0554 -0.0554 0.0944 0.0944 0.6152 0.6152 0.6510 0.6510 0.7298 0.7298 0.7796 0.7796 0.9142 0.9142 1.2667 1.2667 10.4232 10.4232 10.7725 10.7725 10.8250 10.8250 10.8882 10.8882 k = 0.3750 0.5000-0.0000 ( 3570 PWs) bands (ev): -34.0768 -34.0768 -25.3376 -25.3376 -18.2797 -18.2797 -18.2163 -18.2163 -17.8057 -17.8057 -15.2737 -15.2737 -14.6219 -14.6219 -14.4160 -14.4160 -8.9964 -8.9964 -8.7455 -8.7455 -8.7105 -8.7105 -0.2180 -0.2180 -0.0695 -0.0695 0.0763 0.0763 0.6190 0.6190 0.6491 0.6491 0.7310 0.7310 0.7770 0.7770 0.9060 0.9060 1.2757 1.2757 10.4531 10.4531 10.7902 10.7902 10.8309 10.8309 10.8824 10.8824 k = 0.3889 0.5000-0.0000 ( 3562 PWs) bands (ev): -34.0766 -34.0766 -25.3375 -25.3375 -18.2805 -18.2805 -18.2272 -18.2272 -17.8056 -17.8056 -15.2728 -15.2728 -14.6082 -14.6082 -14.4101 -14.4101 -8.9970 -8.9970 -8.7464 -8.7464 -8.7105 -8.7105 -0.2275 -0.2275 -0.0822 -0.0822 0.0607 0.0607 0.6228 0.6228 0.6474 0.6474 0.7318 0.7318 0.7750 0.7750 0.8983 0.8983 1.2838 1.2838 10.4798 10.4798 10.8062 10.8062 10.8362 10.8362 10.8771 10.8771 k = 0.4028 0.5000-0.0000 ( 3570 PWs) bands (ev): -34.0765 -34.0765 -25.3374 -25.3374 -18.2815 -18.2815 -18.2367 -18.2367 -17.8056 -17.8056 -15.2720 -15.2720 -14.5967 -14.5967 -14.4041 -14.4041 -8.9975 -8.9975 -8.7472 -8.7472 -8.7105 -8.7105 -0.2371 -0.2371 -0.0935 -0.0935 0.0475 0.0475 0.6264 0.6264 0.6458 0.6458 0.7322 0.7322 0.7736 0.7736 0.8913 0.8913 1.2909 1.2909 10.5033 10.5033 10.8203 10.8203 10.8410 10.8410 10.8725 10.8725 k = 0.4167 0.5000-0.0000 ( 3562 PWs) bands (ev): -34.0763 -34.0763 -25.3373 -25.3373 -18.2829 -18.2829 -18.2445 -18.2445 -17.8056 -17.8056 -15.2713 -15.2713 -14.5871 -14.5871 -14.3982 -14.3982 -8.9979 -8.9979 -8.7479 -8.7479 -8.7105 -8.7105 -0.2463 -0.2463 -0.1033 -0.1033 0.0366 0.0366 0.6298 0.6298 0.6444 0.6444 0.7325 0.7325 0.7726 0.7726 0.8849 0.8849 1.2971 1.2971 10.5235 10.5235 10.8325 10.8325 10.8454 10.8454 10.8685 10.8685 k = 0.4306 0.5000-0.0000 ( 3574 PWs) bands (ev): -34.0762 -34.0762 -25.3373 -25.3373 -18.2845 -18.2845 -18.2508 -18.2508 -17.8056 -17.8056 -15.2708 -15.2708 -14.5793 -14.5793 -14.3928 -14.3928 -8.9983 -8.9983 -8.7485 -8.7485 -8.7106 -8.7106 -0.2548 -0.2548 -0.1117 -0.1117 0.0277 0.0277 0.6328 0.6328 0.6432 0.6432 0.7325 0.7325 0.7720 0.7720 0.8793 0.8793 1.3023 1.3023 10.5404 10.5404 10.8422 10.8422 10.8496 10.8496 10.8652 10.8652 k = 0.4444 0.5000-0.0000 ( 3570 PWs) bands (ev): -34.0762 -34.0762 -25.3372 -25.3372 -18.2863 -18.2863 -18.2554 -18.2554 -17.8056 -17.8056 -15.2704 -15.2704 -14.5732 -14.5732 -14.3878 -14.3878 -8.9986 -8.9986 -8.7490 -8.7490 -8.7105 -8.7105 -0.2623 -0.2623 -0.1185 -0.1185 0.0207 0.0207 0.6354 0.6354 0.6423 0.6423 0.7324 0.7324 0.7717 0.7717 0.8746 0.8746 1.3065 1.3065 10.5542 10.5542 10.8482 10.8482 10.8549 10.8549 10.8627 10.8627 k = 0.4583 0.5000-0.0000 ( 3566 PWs) bands (ev): -34.0761 -34.0761 -25.3371 -25.3371 -18.2882 -18.2882 -18.2586 -18.2586 -17.8055 -17.8055 -15.2700 -15.2700 -14.5687 -14.5687 -14.3838 -14.3838 -8.9988 -8.9988 -8.7494 -8.7494 -8.7105 -8.7105 -0.2684 -0.2684 -0.1239 -0.1239 0.0155 0.0155 0.6375 0.6375 0.6415 0.6415 0.7322 0.7322 0.7715 0.7715 0.8709 0.8709 1.3098 1.3098 10.5648 10.5648 10.8510 10.8510 10.8593 10.8593 10.8623 10.8623 k = 0.4722 0.5000-0.0000 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2897 -18.2897 -18.2607 -18.2607 -17.8055 -17.8055 -15.2698 -15.2698 -14.5655 -14.5655 -14.3807 -14.3807 -8.9990 -8.9990 -8.7496 -8.7496 -8.7105 -8.7105 -0.2730 -0.2730 -0.1277 -0.1277 0.0119 0.0119 0.6390 0.6390 0.6410 0.6410 0.7320 0.7320 0.7714 0.7714 0.8681 0.8681 1.3122 1.3122 10.5724 10.5724 10.8524 10.8524 10.8593 10.8593 10.8660 10.8660 k = 0.4861 0.5000-0.0000 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2908 -18.2908 -18.2618 -18.2618 -17.8055 -17.8055 -15.2696 -15.2696 -14.5636 -14.5636 -14.3788 -14.3788 -8.9991 -8.9991 -8.7498 -8.7498 -8.7105 -8.7105 -0.2758 -0.2758 -0.1300 -0.1300 0.0098 0.0098 0.6398 0.6398 0.6409 0.6409 0.7319 0.7319 0.7714 0.7714 0.8665 0.8665 1.3136 1.3136 10.5769 10.5769 10.8528 10.8528 10.8591 10.8591 10.8687 10.8687 k = 0.5000 0.5000-0.0000 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2911 -18.2911 -18.2622 -18.2622 -17.8055 -17.8055 -15.2696 -15.2696 -14.5630 -14.5630 -14.3781 -14.3781 -8.9991 -8.9991 -8.7499 -8.7499 -8.7105 -8.7105 -0.2767 -0.2767 -0.1307 -0.1307 0.0091 0.0091 0.6399 0.6399 0.6410 0.6410 0.7319 0.7319 0.7714 0.7714 0.8659 0.8659 1.3141 1.3141 10.5784 10.5784 10.8529 10.8529 10.8591 10.8591 10.8696 10.8696 k = 0.5000 0.5000-0.0000 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2911 -18.2911 -18.2622 -18.2622 -17.8055 -17.8055 -15.2696 -15.2696 -14.5630 -14.5630 -14.3781 -14.3781 -8.9991 -8.9991 -8.7499 -8.7499 -8.7105 -8.7105 -0.2767 -0.2767 -0.1307 -0.1307 0.0091 0.0091 0.6399 0.6399 0.6410 0.6410 0.7319 0.7319 0.7714 0.7714 0.8659 0.8659 1.3141 1.3141 10.5784 10.5784 10.8529 10.8529 10.8591 10.8591 10.8696 10.8696 k = 0.4900 0.4900-0.0000 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2907 -18.2907 -18.2618 -18.2618 -17.8055 -17.8055 -15.2696 -15.2696 -14.5636 -14.5636 -14.3788 -14.3788 -8.9991 -8.9991 -8.7498 -8.7498 -8.7105 -8.7105 -0.2758 -0.2758 -0.1299 -0.1299 0.0098 0.0098 0.6397 0.6397 0.6410 0.6410 0.7319 0.7319 0.7714 0.7714 0.8665 0.8665 1.3136 1.3136 10.5768 10.5768 10.8528 10.8528 10.8591 10.8591 10.8687 10.8687 k = 0.4800 0.4800-0.0000 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2896 -18.2896 -18.2607 -18.2607 -17.8055 -17.8055 -15.2698 -15.2698 -14.5655 -14.5655 -14.3808 -14.3808 -8.9990 -8.9990 -8.7496 -8.7496 -8.7105 -8.7105 -0.2728 -0.2728 -0.1276 -0.1276 0.0120 0.0120 0.6384 0.6384 0.6416 0.6416 0.7321 0.7321 0.7714 0.7714 0.8682 0.8682 1.3121 1.3121 10.5718 10.5718 10.8519 10.8519 10.8597 10.8597 10.8662 10.8662 k = 0.4700 0.4700-0.0000 ( 3558 PWs) bands (ev): -34.0761 -34.0761 -25.3371 -25.3371 -18.2877 -18.2877 -18.2588 -18.2588 -17.8055 -17.8055 -15.2700 -15.2700 -14.5687 -14.5687 -14.3841 -14.3841 -8.9988 -8.9988 -8.7493 -8.7493 -8.7105 -8.7105 -0.2679 -0.2679 -0.1236 -0.1236 0.0156 0.0156 0.6360 0.6360 0.6430 0.6430 0.7323 0.7323 0.7715 0.7715 0.8710 0.8710 1.3097 1.3097 10.5626 10.5626 10.8497 10.8497 10.8607 10.8607 10.8635 10.8635 k = 0.4600 0.4600-0.0000 ( 3570 PWs) bands (ev): -34.0762 -34.0762 -25.3372 -25.3372 -18.2850 -18.2850 -18.2563 -18.2563 -17.8056 -17.8056 -15.2704 -15.2704 -14.5731 -14.5731 -14.3888 -14.3888 -8.9986 -8.9986 -8.7489 -8.7489 -8.7106 -8.7106 -0.2611 -0.2611 -0.1180 -0.1180 0.0206 0.0206 0.6327 0.6327 0.6449 0.6449 0.7325 0.7325 0.7716 0.7716 0.8748 0.8748 1.3063 1.3063 10.5480 10.5480 10.8461 10.8461 10.8581 10.8581 10.8656 10.8656 k = 0.4500 0.4500-0.0000 ( 3574 PWs) bands (ev): -34.0763 -34.0763 -25.3373 -25.3373 -18.2816 -18.2816 -18.2530 -18.2530 -17.8056 -17.8056 -15.2708 -15.2708 -14.5787 -14.5787 -14.3947 -14.3947 -8.9982 -8.9982 -8.7484 -8.7484 -8.7106 -8.7106 -0.2524 -0.2524 -0.1108 -0.1108 0.0270 0.0270 0.6287 0.6287 0.6474 0.6474 0.7328 0.7328 0.7718 0.7718 0.8796 0.8796 1.3020 1.3020 10.5265 10.5265 10.8415 10.8415 10.8554 10.8554 10.8699 10.8699 k = 0.4400 0.4400-0.0000 ( 3564 PWs) bands (ev): -34.0764 -34.0764 -25.3373 -25.3373 -18.2774 -18.2774 -18.2489 -18.2489 -17.8056 -17.8056 -15.2714 -15.2714 -14.5855 -14.5855 -14.4019 -14.4019 -8.9978 -8.9978 -8.7478 -8.7478 -8.7106 -8.7106 -0.2420 -0.2420 -0.1020 -0.1020 0.0348 0.0348 0.6241 0.6241 0.6504 0.6504 0.7331 0.7331 0.7722 0.7722 0.8852 0.8852 1.2968 1.2968 10.4972 10.4972 10.8359 10.8359 10.8547 10.8547 10.8752 10.8752 k = 0.4300 0.4300-0.0000 ( 3564 PWs) bands (ev): -34.0765 -34.0765 -25.3374 -25.3374 -18.2725 -18.2725 -18.2441 -18.2441 -17.8056 -17.8056 -15.2720 -15.2720 -14.5935 -14.5935 -14.4103 -14.4103 -8.9974 -8.9974 -8.7471 -8.7471 -8.7106 -8.7106 -0.2299 -0.2299 -0.0915 -0.0915 0.0439 0.0439 0.6189 0.6189 0.6539 0.6539 0.7334 0.7334 0.7728 0.7728 0.8915 0.8915 1.2907 1.2907 10.4590 10.4590 10.8293 10.8293 10.8568 10.8568 10.8813 10.8813 k = 0.4200 0.4200-0.0000 ( 3560 PWs) bands (ev): -34.0766 -34.0766 -25.3375 -25.3375 -18.2669 -18.2669 -18.2387 -18.2387 -17.8057 -17.8057 -15.2728 -15.2728 -14.6026 -14.6026 -14.4200 -14.4200 -8.9969 -8.9969 -8.7462 -8.7462 -8.7106 -8.7106 -0.2162 -0.2162 -0.0793 -0.0793 0.0543 0.0543 0.6134 0.6134 0.6580 0.6580 0.7337 0.7337 0.7736 0.7736 0.8985 0.8985 1.2838 1.2838 10.4120 10.4120 10.8217 10.8217 10.8619 10.8619 10.8881 10.8881 k = 0.4100 0.4100-0.0000 ( 3568 PWs) bands (ev): -34.0768 -34.0768 -25.3376 -25.3376 -18.2605 -18.2605 -18.2325 -18.2325 -17.8057 -17.8057 -15.2737 -15.2737 -14.6128 -14.6128 -14.4309 -14.4309 -8.9964 -8.9964 -8.7453 -8.7453 -8.7106 -8.7106 -0.2010 -0.2010 -0.0654 -0.0654 0.0658 0.0658 0.6075 0.6075 0.6625 0.6625 0.7339 0.7339 0.7747 0.7747 0.9060 0.9060 1.2761 1.2761 10.3566 10.3566 10.8130 10.8130 10.8697 10.8697 10.8952 10.8952 k = 0.4000 0.4000-0.0000 ( 3562 PWs) bands (ev): -34.0770 -34.0770 -25.3377 -25.3377 -18.2536 -18.2536 -18.2256 -18.2256 -17.8057 -17.8057 -15.2747 -15.2747 -14.6241 -14.6241 -14.4429 -14.4429 -8.9957 -8.9957 -8.7444 -8.7444 -8.7106 -8.7106 -0.1845 -0.1845 -0.0497 -0.0497 0.0786 0.0786 0.6013 0.6013 0.6675 0.6675 0.7343 0.7343 0.7762 0.7762 0.9139 0.9139 1.2677 1.2677 10.2933 10.2933 10.8033 10.8033 10.8796 10.8796 10.9027 10.9027 k = 0.3900 0.3900-0.0000 ( 3564 PWs) bands (ev): -34.0772 -34.0772 -25.3379 -25.3379 -18.2459 -18.2459 -18.2180 -18.2180 -17.8057 -17.8057 -15.2759 -15.2759 -14.6365 -14.6365 -14.4561 -14.4561 -8.9951 -8.9951 -8.7433 -8.7433 -8.7106 -8.7106 -0.1669 -0.1669 -0.0321 -0.0321 0.0923 0.0923 0.5950 0.5950 0.6730 0.6730 0.7347 0.7347 0.7780 0.7780 0.9222 0.9222 1.2586 1.2586 10.2231 10.2231 10.7926 10.7926 10.8908 10.8908 10.9101 10.9101 k = 0.3800 0.3800-0.0000 ( 3566 PWs) bands (ev): -34.0774 -34.0774 -25.3380 -25.3380 -18.2377 -18.2377 -18.2097 -18.2097 -17.8057 -17.8057 -15.2772 -15.2772 -14.6498 -14.6498 -14.4703 -14.4703 -8.9944 -8.9944 -8.7422 -8.7422 -8.7106 -8.7106 -0.1484 -0.1484 -0.0127 -0.0127 0.1071 0.1071 0.5886 0.5886 0.6789 0.6789 0.7353 0.7353 0.7803 0.7803 0.9308 0.9308 1.2488 1.2488 10.1469 10.1469 10.7810 10.7810 10.9027 10.9027 10.9174 10.9174 k = 0.3700 0.3700-0.0000 ( 3564 PWs) bands (ev): -34.0776 -34.0776 -25.3382 -25.3382 -18.2288 -18.2288 -18.2008 -18.2008 -17.8057 -17.8057 -15.2786 -15.2786 -14.6640 -14.6640 -14.4856 -14.4856 -8.9937 -8.9937 -8.7410 -8.7410 -8.7106 -8.7106 -0.1290 -0.1290 0.0086 0.0086 0.1228 0.1228 0.5821 0.5821 0.6853 0.6853 0.7360 0.7360 0.7829 0.7829 0.9397 0.9397 1.2385 1.2385 10.0656 10.0656 10.7687 10.7687 10.9144 10.9144 10.9242 10.9242 k = 0.3600 0.3600-0.0000 ( 3570 PWs) bands (ev): -34.0779 -34.0779 -25.3383 -25.3383 -18.2194 -18.2194 -18.1912 -18.1912 -17.8057 -17.8057 -15.2802 -15.2802 -14.6791 -14.6791 -14.5018 -14.5018 -8.9930 -8.9930 -8.7398 -8.7398 -8.7106 -8.7106 -0.1090 -0.1090 0.0319 0.0319 0.1393 0.1393 0.5756 0.5756 0.6920 0.6920 0.7370 0.7370 0.7861 0.7861 0.9487 0.9487 1.2276 1.2276 9.9800 9.9800 10.7555 10.7555 10.9249 10.9249 10.9305 10.9305 k = 0.3500 0.3500-0.0000 ( 3570 PWs) bands (ev): -34.0782 -34.0782 -25.3385 -25.3385 -18.2095 -18.2095 -18.1810 -18.1810 -17.8057 -17.8057 -15.2820 -15.2820 -14.6949 -14.6949 -14.5190 -14.5190 -8.9923 -8.9923 -8.7386 -8.7386 -8.7105 -8.7105 -0.0884 -0.0884 0.0570 0.0570 0.1565 0.1565 0.5691 0.5691 0.6991 0.6991 0.7384 0.7384 0.7897 0.7897 0.9578 0.9578 1.2164 1.2164 9.8910 9.8910 10.7416 10.7416 10.9324 10.9324 10.9372 10.9372 k = 0.3400 0.3400-0.0000 ( 3574 PWs) bands (ev): -34.0784 -34.0784 -25.3387 -25.3387 -18.1990 -18.1990 -18.1702 -18.1702 -17.8056 -17.8056 -15.2839 -15.2839 -14.7115 -14.7115 -14.5371 -14.5371 -8.9916 -8.9916 -8.7373 -8.7373 -8.7105 -8.7105 -0.0676 -0.0676 0.0841 0.0841 0.1743 0.1743 0.5627 0.5627 0.7065 0.7065 0.7402 0.7402 0.7938 0.7938 0.9670 0.9670 1.2047 1.2047 9.7992 9.7992 10.7270 10.7270 10.9364 10.9364 10.9439 10.9439 k = 0.3300 0.3300-0.0000 ( 3590 PWs) bands (ev): -34.0787 -34.0787 -25.3389 -25.3389 -18.1881 -18.1881 -18.1587 -18.1587 -17.8056 -17.8056 -15.2861 -15.2861 -14.7289 -14.7289 -14.5560 -14.5560 -8.9908 -8.9908 -8.7360 -8.7360 -8.7105 -8.7105 -0.0464 -0.0464 0.1128 0.1128 0.1925 0.1925 0.5564 0.5564 0.7142 0.7142 0.7425 0.7425 0.7984 0.7984 0.9762 0.9762 1.1928 1.1928 9.7053 9.7053 10.7117 10.7117 10.9378 10.9378 10.9485 10.9485 k = 0.3200 0.3200-0.0000 ( 3586 PWs) bands (ev): -34.0790 -34.0790 -25.3390 -25.3390 -18.1768 -18.1768 -18.1467 -18.1467 -17.8055 -17.8055 -15.2884 -15.2884 -14.7467 -14.7467 -14.5756 -14.5756 -8.9901 -8.9901 -8.7347 -8.7347 -8.7105 -8.7105 -0.0251 -0.0251 0.1432 0.1432 0.2113 0.2113 0.5502 0.5502 0.7222 0.7222 0.7453 0.7453 0.8036 0.8036 0.9855 0.9855 1.1807 1.1807 9.6098 9.6098 10.6959 10.6959 10.9369 10.9369 10.9505 10.9505 k = 0.3100 0.3100-0.0000 ( 3578 PWs) bands (ev): -34.0793 -34.0793 -25.3392 -25.3392 -18.1651 -18.1651 -18.1341 -18.1341 -17.8053 -17.8053 -15.2910 -15.2910 -14.7650 -14.7650 -14.5959 -14.5959 -8.9893 -8.9893 -8.7334 -8.7334 -8.7105 -8.7105 -0.0036 -0.0036 0.1749 0.1749 0.2305 0.2305 0.5442 0.5442 0.7304 0.7304 0.7489 0.7489 0.8094 0.8094 0.9947 0.9947 1.1685 1.1685 9.5133 9.5133 10.6795 10.6795 10.9334 10.9334 10.9492 10.9492 k = 0.3000 0.3000-0.0000 ( 3576 PWs) bands (ev): -34.0796 -34.0796 -25.3394 -25.3394 -18.1530 -18.1530 -18.1210 -18.1210 -17.8052 -17.8052 -15.2939 -15.2939 -14.7837 -14.7837 -14.6168 -14.6168 -8.9886 -8.9886 -8.7322 -8.7322 -8.7105 -8.7105 0.0180 0.0180 0.2074 0.2074 0.2502 0.2502 0.5383 0.5383 0.7387 0.7387 0.7532 0.7532 0.8157 0.8157 1.0038 1.0038 1.1562 1.1562 9.4162 9.4162 10.6626 10.6626 10.9270 10.9270 10.9444 10.9444 k = 0.2900 0.2900-0.0000 ( 3575 PWs) bands (ev): -34.0799 -34.0799 -25.3396 -25.3396 -18.1406 -18.1406 -18.1075 -18.1075 -17.8050 -17.8050 -15.2970 -15.2970 -14.8027 -14.8027 -14.6382 -14.6382 -8.9879 -8.9879 -8.7309 -8.7309 -8.7104 -8.7104 0.0396 0.0396 0.2397 0.2397 0.2714 0.2714 0.5326 0.5326 0.7470 0.7470 0.7585 0.7585 0.8227 0.8227 1.0128 1.0128 1.1439 1.1439 9.3189 9.3189 10.6454 10.6454 10.9175 10.9175 10.9360 10.9360 k = 0.2800 0.2800-0.0000 ( 3583 PWs) bands (ev): -34.0803 -34.0803 -25.3399 -25.3399 -18.1280 -18.1280 -18.0935 -18.0935 -17.8047 -17.8047 -15.3004 -15.3004 -14.8220 -14.8220 -14.6602 -14.6602 -8.9872 -8.9872 -8.7297 -8.7297 -8.7104 -8.7104 0.0611 0.0611 0.2688 0.2688 0.2965 0.2965 0.5270 0.5270 0.7552 0.7552 0.7647 0.7647 0.8304 0.8304 1.0217 1.0217 1.1318 1.1318 9.2217 9.2217 10.6279 10.6279 10.9049 10.9049 10.9240 10.9240 k = 0.2700 0.2700-0.0000 ( 3577 PWs) bands (ev): -34.0806 -34.0806 -25.3401 -25.3401 -18.1151 -18.1151 -18.0791 -18.0791 -17.8044 -17.8044 -15.3041 -15.3041 -14.8413 -14.8413 -14.6825 -14.6825 -8.9865 -8.9865 -8.7285 -8.7285 -8.7104 -8.7104 0.0826 0.0826 0.2922 0.2922 0.3278 0.3278 0.5217 0.5217 0.7632 0.7632 0.7721 0.7721 0.8387 0.8387 1.0305 1.0305 1.1199 1.1199 9.1250 9.1250 10.6100 10.6100 10.8891 10.8891 10.9084 10.9084 k = 0.2600 0.2600-0.0000 ( 3589 PWs) bands (ev): -34.0809 -34.0809 -25.3403 -25.3403 -18.1021 -18.1021 -18.0643 -18.0643 -17.8041 -17.8041 -15.3083 -15.3083 -14.8606 -14.8606 -14.7052 -14.7052 -8.9859 -8.9859 -8.7273 -8.7273 -8.7104 -8.7104 0.1040 0.1040 0.3116 0.3116 0.3632 0.3632 0.5167 0.5167 0.7712 0.7712 0.7803 0.7803 0.8478 0.8478 1.0390 1.0390 1.1083 1.1083 9.0292 9.0292 10.5920 10.5920 10.8701 10.8701 10.8893 10.8893 k = 0.2500 0.2500-0.0000 ( 3585 PWs) bands (ev): -34.0812 -34.0812 -25.3405 -25.3405 -18.0889 -18.0889 -18.0493 -18.0493 -17.8037 -17.8037 -15.3128 -15.3128 -14.8798 -14.8798 -14.7280 -14.7280 -8.9853 -8.9853 -8.7262 -8.7262 -8.7104 -8.7104 0.1252 0.1252 0.3289 0.3289 0.4003 0.4003 0.5120 0.5120 0.7796 0.7796 0.7892 0.7892 0.8575 0.8575 1.0473 1.0473 1.0973 1.0973 8.9344 8.9344 10.5738 10.5738 10.8482 10.8482 10.8669 10.8669 k = 0.2400 0.2400-0.0000 ( 3589 PWs) bands (ev): -34.0816 -34.0816 -25.3407 -25.3407 -18.0756 -18.0756 -18.0340 -18.0340 -17.8032 -17.8032 -15.3177 -15.3177 -14.8987 -14.8987 -14.7511 -14.7511 -8.9847 -8.9847 -8.7251 -8.7251 -8.7104 -8.7104 0.1462 0.1462 0.3447 0.3447 0.4378 0.4378 0.5080 0.5080 0.7883 0.7883 0.7985 0.7985 0.8678 0.8678 1.0550 1.0550 1.0870 1.0870 8.8409 8.8409 10.5556 10.5556 10.8235 10.8235 10.8415 10.8415 k = 0.2300 0.2300-0.0000 ( 3593 PWs) bands (ev): -34.0819 -34.0819 -25.3409 -25.3409 -18.0624 -18.0624 -18.0185 -18.0185 -17.8027 -17.8027 -15.3231 -15.3231 -14.9173 -14.9173 -14.7742 -14.7742 -8.9842 -8.9842 -8.7241 -8.7241 -8.7105 -8.7105 0.1669 0.1669 0.3593 0.3593 0.4732 0.4732 0.5067 0.5067 0.7976 0.7976 0.8081 0.8081 0.8788 0.8788 1.0613 1.0613 1.0787 1.0787 8.7490 8.7490 10.5374 10.5374 10.7965 10.7965 10.8134 10.8134 k = 0.2200 0.2200-0.0000 ( 3589 PWs) bands (ev): -34.0822 -34.0822 -25.3411 -25.3411 -18.0491 -18.0491 -18.0029 -18.0029 -17.8021 -17.8021 -15.3289 -15.3289 -14.9354 -14.9354 -14.7972 -14.7972 -8.9836 -8.9836 -8.7231 -8.7231 -8.7105 -8.7105 0.1874 0.1874 0.3727 0.3727 0.4908 0.4908 0.5234 0.5234 0.8074 0.8074 0.8181 0.8181 0.8902 0.8902 1.0615 1.0615 1.0769 1.0769 8.6589 8.6589 10.5193 10.5193 10.7674 10.7674 10.7830 10.7830 k = 0.2100 0.2100-0.0000 ( 3591 PWs) bands (ev): -34.0826 -34.0826 -25.3414 -25.3414 -18.0359 -18.0359 -17.9872 -17.9872 -17.8014 -17.8014 -15.3353 -15.3353 -14.9529 -14.9529 -14.8202 -14.8202 -8.9832 -8.9832 -8.7222 -8.7222 -8.7105 -8.7105 0.2074 0.2074 0.3849 0.3849 0.4900 0.4900 0.5585 0.5585 0.8174 0.8174 0.8286 0.8286 0.9019 0.9019 1.0553 1.0553 1.0822 1.0822 8.5708 8.5708 10.5014 10.5014 10.7367 10.7367 10.7509 10.7509 k = 0.2000 0.2000-0.0000 ( 3587 PWs) bands (ev): -34.0829 -34.0829 -25.3416 -25.3416 -18.0229 -18.0229 -17.9716 -17.9716 -17.8006 -17.8006 -15.3422 -15.3422 -14.9698 -14.9698 -14.8429 -14.8429 -8.9827 -8.9827 -8.7213 -8.7213 -8.7106 -8.7106 0.2270 0.2270 0.3958 0.3958 0.4869 0.4869 0.5956 0.5956 0.8275 0.8275 0.8398 0.8398 0.9137 0.9137 1.0485 1.0485 1.0890 1.0890 8.4850 8.4850 10.4837 10.4837 10.7049 10.7049 10.7175 10.7175 k = 0.1900 0.1900-0.0000 ( 3593 PWs) bands (ev): -34.0832 -34.0832 -25.3418 -25.3418 -18.0101 -18.0101 -17.9560 -17.9560 -17.7998 -17.7998 -15.3496 -15.3496 -14.9858 -14.9858 -14.8654 -14.8654 -8.9823 -8.9823 -8.7205 -8.7205 -8.7107 -8.7107 0.2462 0.2462 0.4055 0.4055 0.4834 0.4834 0.6322 0.6322 0.8374 0.8374 0.8521 0.8521 0.9252 0.9252 1.0428 1.0428 1.0959 1.0959 8.4016 8.4016 10.4663 10.4663 10.6721 10.6721 10.6835 10.6835 k = 0.1800 0.1800-0.0000 ( 3591 PWs) bands (ev): -34.0835 -34.0835 -25.3420 -25.3420 -17.9975 -17.9975 -17.9405 -17.9405 -17.7988 -17.7988 -15.3575 -15.3575 -15.0009 -15.0009 -14.8874 -14.8874 -8.9820 -8.9820 -8.7197 -8.7197 -8.7108 -8.7108 0.2648 0.2648 0.4140 0.4140 0.4800 0.4800 0.6677 0.6677 0.8469 0.8469 0.8657 0.8657 0.9359 0.9359 1.0389 1.0389 1.1027 1.1027 8.3209 8.3209 10.4492 10.4492 10.6390 10.6390 10.6492 10.6492 k = 0.1700 0.1700-0.0000 ( 3595 PWs) bands (ev): -34.0838 -34.0838 -25.3422 -25.3422 -17.9853 -17.9853 -17.9253 -17.9253 -17.7977 -17.7977 -15.3658 -15.3658 -15.0152 -15.0152 -14.9090 -14.9090 -8.9817 -8.9817 -8.7189 -8.7189 -8.7109 -8.7109 0.2828 0.2828 0.4214 0.4214 0.4767 0.4767 0.7015 0.7015 0.8559 0.8559 0.8806 0.8806 0.9451 0.9451 1.0373 1.0373 1.1093 1.1093 8.2430 8.2430 10.4327 10.4327 10.6058 10.6058 10.6151 10.6151 k = 0.1600 0.1600-0.0000 ( 3595 PWs) bands (ev): -34.0841 -34.0841 -25.3424 -25.3424 -17.9735 -17.9735 -17.9103 -17.9103 -17.7965 -17.7965 -15.3746 -15.3746 -15.0284 -15.0284 -14.9300 -14.9300 -8.9814 -8.9814 -8.7183 -8.7183 -8.7110 -8.7110 0.3002 0.3002 0.4276 0.4276 0.4736 0.4736 0.7333 0.7333 0.8646 0.8646 0.8969 0.8969 0.9521 0.9521 1.0387 1.0387 1.1156 1.1156 8.1682 8.1682 10.4166 10.4166 10.5730 10.5730 10.5816 10.5816 k = 0.1500 0.1500-0.0000 ( 3587 PWs) bands (ev): -34.0843 -34.0843 -25.3425 -25.3425 -17.9622 -17.9622 -17.8957 -17.8957 -17.7951 -17.7951 -15.3837 -15.3837 -15.0405 -15.0405 -14.9503 -14.9503 -8.9811 -8.9811 -8.7176 -8.7176 -8.7111 -8.7111 0.3168 0.3168 0.4329 0.4329 0.4707 0.4707 0.7626 0.7626 0.8728 0.8728 0.9145 0.9145 0.9568 0.9568 1.0434 1.0434 1.1218 1.1218 8.0967 8.0967 10.4012 10.4012 10.5409 10.5409 10.5491 10.5491 k = 0.1400 0.1400-0.0000 ( 3589 PWs) bands (ev): -34.0846 -34.0846 -25.3427 -25.3427 -17.9515 -17.9515 -17.8816 -17.8816 -17.7936 -17.7936 -15.3931 -15.3931 -15.0517 -15.0517 -14.9699 -14.9699 -8.9809 -8.9809 -8.7170 -8.7170 -8.7113 -8.7113 0.3327 0.3327 0.4372 0.4372 0.4679 0.4679 0.7891 0.7891 0.8806 0.8806 0.9332 0.9332 0.9594 0.9594 1.0510 1.0510 1.1277 1.1277 8.0287 8.0287 10.3863 10.3863 10.5097 10.5097 10.5175 10.5175 k = 0.1300 0.1300-0.0000 ( 3589 PWs) bands (ev): -34.0848 -34.0848 -25.3429 -25.3429 -17.9414 -17.9414 -17.8680 -17.8680 -17.7920 -17.7920 -15.4027 -15.4027 -15.0618 -15.0618 -14.9886 -14.9886 -8.9807 -8.9807 -8.7165 -8.7165 -8.7115 -8.7115 0.3478 0.3478 0.4407 0.4407 0.4654 0.4654 0.8126 0.8126 0.8880 0.8880 0.9503 0.9503 0.9629 0.9629 1.0609 1.0609 1.1334 1.1334 7.9643 7.9643 10.3722 10.3722 10.4798 10.4798 10.4873 10.4873 k = 0.1200 0.1200-0.0000 ( 3585 PWs) bands (ev): -34.0851 -34.0851 -25.3430 -25.3430 -17.9320 -17.9320 -17.8550 -17.8550 -17.7902 -17.7902 -15.4122 -15.4122 -15.0709 -15.0709 -15.0063 -15.0063 -8.9805 -8.9805 -8.7160 -8.7160 -8.7116 -8.7116 0.3620 0.3620 0.4435 0.4435 0.4630 0.4630 0.8332 0.8332 0.8949 0.8949 0.9555 0.9555 0.9781 0.9781 1.0720 1.0720 1.1388 1.1388 7.9037 7.9037 10.3589 10.3589 10.4513 10.4513 10.4587 10.4587 k = 0.1100 0.1100-0.0000 ( 3585 PWs) bands (ev): -34.0853 -34.0853 -25.3432 -25.3432 -17.9233 -17.9233 -17.8427 -17.8427 -17.7884 -17.7884 -15.4217 -15.4217 -15.0790 -15.0790 -15.0230 -15.0230 -8.9803 -8.9803 -8.7155 -8.7155 -8.7118 -8.7118 0.3754 0.3754 0.4456 0.4456 0.4608 0.4608 0.8512 0.8512 0.9013 0.9013 0.9551 0.9551 0.9984 0.9984 1.0840 1.0840 1.1440 1.1440 7.8472 7.8472 10.3464 10.3464 10.4245 10.4245 10.4318 10.4318 k = 0.1000 0.1000-0.0000 ( 3595 PWs) bands (ev): -34.0855 -34.0855 -25.3433 -25.3433 -17.9153 -17.9153 -17.8311 -17.8311 -17.7864 -17.7864 -15.4310 -15.4310 -15.0863 -15.0863 -15.0386 -15.0386 -8.9802 -8.9802 -8.7151 -8.7151 -8.7120 -8.7120 0.3877 0.3877 0.4471 0.4471 0.4588 0.4588 0.8667 0.8667 0.9073 0.9073 0.9540 0.9540 1.0189 1.0189 1.0962 1.0962 1.1490 1.1490 7.7949 7.7949 10.3348 10.3348 10.3996 10.3996 10.4067 10.4067 k = 0.0900 0.0900-0.0000 ( 3595 PWs) bands (ev): -34.0857 -34.0857 -25.3434 -25.3434 -17.9082 -17.9082 -17.8204 -17.8204 -17.7843 -17.7843 -15.4399 -15.4399 -15.0926 -15.0926 -15.0529 -15.0529 -8.9801 -8.9801 -8.7147 -8.7147 -8.7122 -8.7122 0.3991 0.3991 0.4482 0.4482 0.4570 0.4570 0.8802 0.8802 0.9126 0.9126 0.9528 0.9528 1.0383 1.0383 1.1084 1.1084 1.1538 1.1538 7.7470 7.7470 10.3241 10.3241 10.3766 10.3766 10.3835 10.3835 k = 0.0800 0.0800-0.0000 ( 3607 PWs) bands (ev): -34.0859 -34.0859 -25.3435 -25.3435 -17.9019 -17.9019 -17.8106 -17.8106 -17.7822 -17.7822 -15.4483 -15.4483 -15.0981 -15.0981 -15.0661 -15.0661 -8.9801 -8.9801 -8.7144 -8.7144 -8.7123 -8.7123 0.4093 0.4093 0.4489 0.4489 0.4554 0.4554 0.8917 0.8917 0.9172 0.9172 0.9520 0.9520 1.0560 1.0560 1.1204 1.1204 1.1583 1.1583 7.7036 7.7036 10.3143 10.3143 10.3557 10.3557 10.3626 10.3626 k = 0.0700 0.0700-0.0000 ( 3609 PWs) bands (ev): -34.0860 -34.0860 -25.3436 -25.3436 -17.8965 -17.8965 -17.8017 -17.8017 -17.7802 -17.7802 -15.4560 -15.4560 -15.1028 -15.1028 -15.0778 -15.0778 -8.9800 -8.9800 -8.7141 -8.7141 -8.7125 -8.7125 0.4185 0.4185 0.4494 0.4494 0.4540 0.4540 0.9014 0.9014 0.9211 0.9211 0.9516 0.9516 1.0715 1.0715 1.1321 1.1321 1.1627 1.1627 7.6650 7.6650 10.3056 10.3056 10.3370 10.3370 10.3439 10.3439 k = 0.0600 0.0600-0.0000 ( 3613 PWs) bands (ev): -34.0861 -34.0861 -25.3437 -25.3437 -17.8918 -17.8918 -17.7939 -17.7939 -17.7782 -17.7782 -15.4630 -15.4630 -15.1068 -15.1068 -15.0881 -15.0881 -8.9799 -8.9799 -8.7138 -8.7138 -8.7127 -8.7127 0.4266 0.4266 0.4496 0.4496 0.4528 0.4528 0.9095 0.9095 0.9242 0.9242 0.9518 0.9518 1.0846 1.0846 1.1432 1.1432 1.1667 1.1667 7.6311 7.6311 10.2979 10.2979 10.3206 10.3206 10.3275 10.3275 k = 0.0500 0.0500-0.0000 ( 3613 PWs) bands (ev): -34.0863 -34.0863 -25.3438 -25.3438 -17.8879 -17.8879 -17.7872 -17.7872 -17.7764 -17.7764 -15.4690 -15.4690 -15.1101 -15.1101 -15.0969 -15.0969 -8.9799 -8.9799 -8.7136 -8.7136 -8.7128 -8.7128 0.4335 0.4335 0.4496 0.4496 0.4518 0.4518 0.9161 0.9161 0.9265 0.9265 0.9526 0.9526 1.0952 1.0952 1.1535 1.1535 1.1705 1.1705 7.6023 7.6023 10.2913 10.2913 10.3066 10.3066 10.3136 10.3136 k = 0.0400 0.0400-0.0000 ( 3621 PWs) bands (ev): -34.0863 -34.0863 -25.3439 -25.3439 -17.8848 -17.8848 -17.7817 -17.7817 -17.7748 -17.7748 -15.4742 -15.4742 -15.1128 -15.1128 -15.1043 -15.1043 -8.9799 -8.9799 -8.7134 -8.7134 -8.7129 -8.7129 0.4391 0.4391 0.4495 0.4495 0.4510 0.4510 0.9212 0.9212 0.9280 0.9280 0.9538 0.9538 1.1033 1.1033 1.1626 1.1626 1.1737 1.1737 7.5785 7.5785 10.2857 10.2857 10.2950 10.2950 10.3023 10.3023 k = 0.0300 0.0300-0.0000 ( 3631 PWs) bands (ev): -34.0864 -34.0864 -25.3439 -25.3439 -17.8824 -17.8824 -17.7773 -17.7773 -17.7734 -17.7734 -15.4783 -15.4783 -15.1148 -15.1148 -15.1100 -15.1100 -8.9799 -8.9799 -8.7133 -8.7133 -8.7130 -8.7130 0.4435 0.4435 0.4493 0.4493 0.4506 0.4506 0.9250 0.9250 0.9289 0.9289 0.9551 0.9551 1.1094 1.1094 1.1700 1.1700 1.1764 1.1764 7.5600 7.5600 10.2811 10.2811 10.2860 10.2860 10.2937 10.2937 k = 0.0200 0.0200-0.0000 ( 3627 PWs) bands (ev): -34.0865 -34.0865 -25.3440 -25.3440 -17.8807 -17.8807 -17.7742 -17.7742 -17.7724 -17.7724 -15.4812 -15.4812 -15.1163 -15.1163 -15.1141 -15.1141 -8.9799 -8.9799 -8.7132 -8.7132 -8.7131 -8.7131 0.4464 0.4464 0.4493 0.4493 0.4503 0.4503 0.9277 0.9277 0.9294 0.9294 0.9563 0.9563 1.1135 1.1135 1.1755 1.1755 1.1784 1.1784 7.5466 7.5466 10.2775 10.2775 10.2795 10.2795 10.2878 10.2878 k = 0.0100 0.0100-0.0000 ( 3611 PWs) bands (ev): -34.0865 -34.0865 -25.3440 -25.3440 -17.8797 -17.8797 -17.7722 -17.7722 -17.7718 -17.7718 -15.4829 -15.4829 -15.1171 -15.1171 -15.1165 -15.1165 -8.9798 -8.9798 -8.7131 -8.7131 -8.7131 -8.7131 0.4477 0.4477 0.4498 0.4498 0.4502 0.4502 0.9292 0.9292 0.9297 0.9297 0.9571 0.9571 1.1159 1.1159 1.1790 1.1790 1.1797 1.1797 7.5386 7.5386 10.2753 10.2753 10.2757 10.2757 10.2844 10.2844 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -34.0865 -34.0865 -25.3439 -25.3439 -17.8794 -17.8794 -17.7716 -17.7716 -17.7716 -17.7716 -15.4835 -15.4835 -15.1173 -15.1173 -15.1173 -15.1173 -8.9798 -8.9798 -8.7130 -8.7130 -8.7130 -8.7130 0.4480 0.4480 0.4502 0.4502 0.4502 0.4502 0.9298 0.9298 0.9298 0.9298 0.9575 0.9575 1.1167 1.1167 1.1801 1.1801 1.1801 1.1801 7.5359 7.5359 10.2745 10.2745 10.2745 10.2745 10.2835 10.2835 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -34.0865 -34.0865 -25.3439 -25.3439 -17.8794 -17.8794 -17.7716 -17.7716 -17.7716 -17.7716 -15.4835 -15.4835 -15.1173 -15.1173 -15.1173 -15.1173 -8.9798 -8.9798 -8.7130 -8.7130 -8.7130 -8.7130 0.4480 0.4480 0.4502 0.4502 0.4502 0.4502 0.9298 0.9298 0.9298 0.9298 0.9575 0.9575 1.1167 1.1167 1.1801 1.1801 1.1801 1.1801 7.5359 7.5359 10.2745 10.2745 10.2745 10.2745 10.2835 10.2835 k = 0.0081 0.0081 0.0081 ( 3605 PWs) bands (ev): -34.0865 -34.0865 -25.3440 -25.3440 -17.8797 -17.8797 -17.7720 -17.7720 -17.7720 -17.7720 -15.4829 -15.4829 -15.1169 -15.1169 -15.1168 -15.1168 -8.9798 -8.9798 -8.7131 -8.7131 -8.7131 -8.7131 0.4478 0.4478 0.4498 0.4498 0.4501 0.4501 0.9292 0.9292 0.9297 0.9297 0.9572 0.9572 1.1159 1.1159 1.1791 1.1791 1.1796 1.1796 7.5386 7.5386 10.2753 10.2753 10.2757 10.2757 10.2844 10.2844 k = 0.0161 0.0161 0.0161 ( 3623 PWs) bands (ev): -34.0865 -34.0865 -25.3440 -25.3440 -17.8807 -17.8807 -17.7733 -17.7733 -17.7732 -17.7732 -15.4812 -15.4812 -15.1153 -15.1153 -15.1152 -15.1152 -8.9798 -8.9798 -8.7132 -8.7132 -8.7131 -8.7131 0.4466 0.4466 0.4493 0.4493 0.4502 0.4502 0.9276 0.9276 0.9295 0.9295 0.9564 0.9564 1.1136 1.1136 1.1761 1.1761 1.1780 1.1780 7.5464 7.5464 10.2776 10.2776 10.2792 10.2792 10.2877 10.2877 k = 0.0242 0.0242 0.0242 ( 3623 PWs) bands (ev): -34.0864 -34.0864 -25.3439 -25.3439 -17.8823 -17.8823 -17.7755 -17.7755 -17.7751 -17.7751 -15.4783 -15.4783 -15.1126 -15.1126 -15.1124 -15.1124 -8.9799 -8.9799 -8.7133 -8.7133 -8.7130 -8.7130 0.4438 0.4438 0.4494 0.4494 0.4503 0.4503 0.9250 0.9250 0.9289 0.9289 0.9553 0.9553 1.1097 1.1097 1.1713 1.1713 1.1753 1.1753 7.5594 7.5594 10.2817 10.2817 10.2847 10.2847 10.2938 10.2938 k = 0.0323 0.0323 0.0323 ( 3623 PWs) bands (ev): -34.0863 -34.0863 -25.3439 -25.3439 -17.8845 -17.8845 -17.7784 -17.7784 -17.7779 -17.7779 -15.4743 -15.4743 -15.1089 -15.1089 -15.1086 -15.1086 -8.9799 -8.9799 -8.7134 -8.7134 -8.7129 -8.7129 0.4397 0.4397 0.4497 0.4497 0.4505 0.4505 0.9213 0.9213 0.9276 0.9276 0.9543 0.9543 1.1042 1.1042 1.1647 1.1647 1.1716 1.1716 7.5775 7.5775 10.2873 10.2873 10.2914 10.2914 10.3031 10.3031 k = 0.0403 0.0403 0.0403 ( 3614 PWs) bands (ev): -34.0863 -34.0863 -25.3438 -25.3438 -17.8874 -17.8874 -17.7822 -17.7822 -17.7813 -17.7813 -15.4691 -15.4691 -15.1042 -15.1042 -15.1037 -15.1037 -8.9799 -8.9799 -8.7136 -8.7136 -8.7128 -8.7128 0.4344 0.4344 0.4501 0.4501 0.4506 0.4506 0.9166 0.9166 0.9252 0.9252 0.9538 0.9538 1.0968 1.0968 1.1566 1.1566 1.1669 1.1669 7.6007 7.6007 10.2945 10.2945 10.2993 10.2993 10.3158 10.3158 k = 0.0484 0.0484 0.0484 ( 3614 PWs) bands (ev): -34.0861 -34.0861 -25.3437 -25.3437 -17.8909 -17.8909 -17.7868 -17.7868 -17.7855 -17.7855 -15.4628 -15.4628 -15.0984 -15.0984 -15.0978 -15.0978 -8.9800 -8.9800 -8.7138 -8.7138 -8.7127 -8.7127 0.4280 0.4280 0.4506 0.4506 0.4507 0.4507 0.9109 0.9109 0.9212 0.9212 0.9542 0.9542 1.0875 1.0875 1.1473 1.1473 1.1613 1.1613 7.6289 7.6289 10.3033 10.3033 10.3084 10.3084 10.3315 10.3315 k = 0.0565 0.0565 0.0565 ( 3608 PWs) bands (ev): -34.0860 -34.0860 -25.3436 -25.3436 -17.8949 -17.8949 -17.7922 -17.7922 -17.7905 -17.7905 -15.4554 -15.4554 -15.0917 -15.0917 -15.0908 -15.0908 -8.9800 -8.9800 -8.7140 -8.7140 -8.7126 -8.7126 0.4205 0.4205 0.4508 0.4508 0.4511 0.4511 0.9042 0.9042 0.9156 0.9156 0.9556 0.9556 1.0761 1.0761 1.1371 1.1371 1.1549 1.1549 7.6619 7.6619 10.3137 10.3137 10.3190 10.3190 10.3501 10.3501 k = 0.0645 0.0645 0.0645 ( 3599 PWs) bands (ev): -34.0859 -34.0859 -25.3435 -25.3435 -17.8995 -17.8995 -17.7983 -17.7983 -17.7961 -17.7961 -15.4470 -15.4470 -15.0840 -15.0840 -15.0828 -15.0828 -8.9801 -8.9801 -8.7143 -8.7143 -8.7124 -8.7124 0.4119 0.4119 0.4508 0.4508 0.4516 0.4516 0.8965 0.8965 0.9084 0.9084 0.9579 0.9579 1.0624 1.0624 1.1264 1.1264 1.1477 1.1477 7.6997 7.6997 10.3254 10.3254 10.3309 10.3309 10.3715 10.3715 k = 0.0726 0.0726 0.0726 ( 3599 PWs) bands (ev): -34.0857 -34.0857 -25.3434 -25.3434 -17.9047 -17.9047 -17.8051 -17.8051 -17.8024 -17.8024 -15.4376 -15.4376 -15.0754 -15.0754 -15.0739 -15.0739 -8.9802 -8.9802 -8.7146 -8.7146 -8.7123 -8.7123 0.4023 0.4023 0.4506 0.4506 0.4520 0.4520 0.8878 0.8878 0.8998 0.8998 0.9610 0.9610 1.0463 1.0463 1.1156 1.1156 1.1398 1.1398 7.7421 7.7421 10.3387 10.3387 10.3442 10.3442 10.3953 10.3953 k = 0.0806 0.0806 0.0806 ( 3605 PWs) bands (ev): -34.0855 -34.0855 -25.3433 -25.3433 -17.9105 -17.9105 -17.8126 -17.8126 -17.8093 -17.8093 -15.4272 -15.4272 -15.0658 -15.0658 -15.0641 -15.0641 -8.9803 -8.9803 -8.7150 -8.7150 -8.7122 -8.7122 0.3917 0.3917 0.4503 0.4503 0.4524 0.4524 0.8782 0.8782 0.8899 0.8899 0.9646 0.9646 1.0279 1.0279 1.1047 1.1047 1.1315 1.1315 7.7890 7.7890 10.3532 10.3532 10.3589 10.3589 10.4215 10.4215 k = 0.0887 0.0887 0.0887 ( 3602 PWs) bands (ev): -34.0853 -34.0853 -25.3432 -25.3432 -17.9167 -17.9167 -17.8208 -17.8208 -17.8169 -17.8169 -15.4159 -15.4159 -15.0554 -15.0554 -15.0533 -15.0533 -8.9804 -8.9804 -8.7154 -8.7154 -8.7120 -8.7120 0.3803 0.3803 0.4497 0.4497 0.4525 0.4525 0.8676 0.8676 0.8787 0.8787 0.9687 0.9687 1.0073 1.0073 1.0941 1.0941 1.1227 1.1227 7.8402 7.8402 10.3692 10.3692 10.3749 10.3749 10.4499 10.4499 k = 0.0968 0.0968 0.0968 ( 3602 PWs) bands (ev): -34.0851 -34.0851 -25.3430 -25.3430 -17.9234 -17.9234 -17.8295 -17.8295 -17.8250 -17.8250 -15.4037 -15.4037 -15.0442 -15.0442 -15.0417 -15.0417 -8.9806 -8.9806 -8.7159 -8.7159 -8.7119 -8.7119 0.3680 0.3680 0.4488 0.4488 0.4524 0.4524 0.8560 0.8560 0.8664 0.8664 0.9719 0.9719 0.9860 0.9860 1.0836 1.0836 1.1136 1.1136 7.8956 7.8956 10.3863 10.3863 10.3921 10.3921 10.4802 10.4802 k = 0.1048 0.1048 0.1048 ( 3608 PWs) bands (ev): -34.0849 -34.0849 -25.3429 -25.3429 -17.9305 -17.9305 -17.8389 -17.8389 -17.8337 -17.8337 -15.3906 -15.3906 -15.0321 -15.0321 -15.0293 -15.0293 -8.9808 -8.9808 -8.7164 -8.7164 -8.7118 -8.7118 0.3549 0.3549 0.4475 0.4475 0.4520 0.4520 0.8436 0.8436 0.8529 0.8529 0.9575 0.9575 0.9808 0.9808 1.0736 1.0736 1.1045 1.1045 7.9549 7.9549 10.4047 10.4047 10.4105 10.4105 10.5122 10.5122 k = 0.1129 0.1129 0.1129 ( 3608 PWs) bands (ev): -34.0846 -34.0846 -25.3427 -25.3427 -17.9381 -17.9381 -17.8487 -17.8487 -17.8428 -17.8428 -15.3768 -15.3768 -15.0193 -15.0193 -15.0162 -15.0162 -8.9810 -8.9810 -8.7170 -8.7170 -8.7118 -8.7118 0.3412 0.3412 0.4457 0.4457 0.4513 0.4513 0.8302 0.8302 0.8383 0.8383 0.9317 0.9317 0.9858 0.9858 1.0639 1.0639 1.0953 1.0953 8.0180 8.0180 10.4242 10.4242 10.4301 10.4301 10.5456 10.5456 k = 0.1210 0.1210 0.1210 ( 3608 PWs) bands (ev): -34.0843 -34.0843 -25.3425 -25.3425 -17.9461 -17.9461 -17.8591 -17.8591 -17.8525 -17.8525 -15.3622 -15.3622 -15.0058 -15.0058 -15.0023 -15.0023 -8.9813 -8.9813 -8.7176 -8.7176 -8.7117 -8.7117 0.3267 0.3267 0.4435 0.4435 0.4501 0.4501 0.8160 0.8160 0.8227 0.8227 0.9039 0.9039 0.9917 0.9917 1.0548 1.0548 1.0864 1.0864 8.0847 8.0847 10.4449 10.4449 10.4507 10.4507 10.5802 10.5802 k = 0.1290 0.1290 0.1290 ( 3608 PWs) bands (ev): -34.0841 -34.0841 -25.3424 -25.3424 -17.9544 -17.9544 -17.8698 -17.8698 -17.8626 -17.8626 -15.3470 -15.3470 -14.9915 -14.9915 -14.9878 -14.9878 -8.9817 -8.9817 -8.7182 -8.7182 -8.7117 -8.7117 0.3118 0.3118 0.4406 0.4406 0.4484 0.4484 0.8008 0.8008 0.8060 0.8060 0.8747 0.8747 0.9981 0.9981 1.0463 1.0463 1.0779 1.0779 8.1548 8.1548 10.4664 10.4664 10.4723 10.4723 10.6156 10.6156 k = 0.1371 0.1371 0.1371 ( 3614 PWs) bands (ev): -34.0838 -34.0838 -25.3422 -25.3422 -17.9631 -17.9631 -17.8810 -17.8810 -17.8730 -17.8730 -15.3311 -15.3311 -14.9767 -14.9767 -14.9726 -14.9726 -8.9820 -8.9820 -8.7189 -8.7189 -8.7118 -8.7118 0.2963 0.2963 0.4371 0.4371 0.4460 0.4460 0.7848 0.7848 0.7883 0.7883 0.8443 0.8443 1.0048 1.0048 1.0386 1.0386 1.0699 1.0699 8.2281 8.2281 10.4889 10.4889 10.4948 10.4948 10.6513 10.6513 k = 0.1452 0.1452 0.1452 ( 3602 PWs) bands (ev): -34.0835 -34.0835 -25.3420 -25.3420 -17.9721 -17.9721 -17.8925 -17.8925 -17.8838 -17.8838 -15.3146 -15.3146 -14.9613 -14.9613 -14.9568 -14.9568 -8.9824 -8.9824 -8.7197 -8.7197 -8.7119 -8.7119 0.2804 0.2804 0.4329 0.4329 0.4431 0.4431 0.7680 0.7680 0.7695 0.7695 0.8130 0.8130 1.0117 1.0117 1.0319 1.0319 1.0627 1.0627 8.3044 8.3044 10.5122 10.5122 10.5182 10.5182 10.6870 10.6870 k = 0.1532 0.1532 0.1532 ( 3608 PWs) bands (ev): -34.0831 -34.0831 -25.3417 -25.3417 -17.9813 -17.9813 -17.9044 -17.9044 -17.8950 -17.8950 -15.2976 -15.2976 -14.9453 -14.9453 -14.9406 -14.9406 -8.9829 -8.9829 -8.7205 -8.7205 -8.7120 -8.7120 0.2641 0.2641 0.4279 0.4279 0.4393 0.4393 0.7495 0.7495 0.7503 0.7503 0.7812 0.7812 1.0177 1.0177 1.0274 1.0274 1.0563 1.0563 8.3835 8.3835 10.5363 10.5363 10.5423 10.5423 10.7222 10.7222 k = 0.1613 0.1613 0.1613 ( 3596 PWs) bands (ev): -34.0828 -34.0828 -25.3415 -25.3415 -17.9908 -17.9908 -17.9164 -17.9164 -17.9064 -17.9064 -15.2801 -15.2801 -14.9288 -14.9288 -14.9238 -14.9238 -8.9835 -8.9835 -8.7214 -8.7214 -8.7122 -8.7122 0.2475 0.2475 0.4222 0.4222 0.4348 0.4348 0.7279 0.7279 0.7318 0.7318 0.7495 0.7495 1.0181 1.0181 1.0299 1.0299 1.0508 1.0508 8.4653 8.4653 10.5610 10.5610 10.5671 10.5671 10.7564 10.7564 k = 0.1694 0.1694 0.1694 ( 3596 PWs) bands (ev): -34.0825 -34.0825 -25.3413 -25.3413 -18.0005 -18.0005 -17.9288 -17.9288 -17.9180 -17.9180 -15.2622 -15.2622 -14.9119 -14.9119 -14.9067 -14.9067 -8.9841 -8.9841 -8.7223 -8.7223 -8.7125 -8.7125 0.2307 0.2307 0.4155 0.4155 0.4295 0.4295 0.7032 0.7032 0.7125 0.7125 0.7196 0.7196 1.0151 1.0151 1.0371 1.0371 1.0465 1.0465 8.5494 8.5494 10.5863 10.5863 10.5924 10.5924 10.7891 10.7891 k = 0.1774 0.1774 0.1774 ( 3596 PWs) bands (ev): -34.0821 -34.0821 -25.3411 -25.3411 -18.0104 -18.0104 -17.9412 -17.9412 -17.9299 -17.9299 -15.2440 -15.2440 -14.8946 -14.8946 -14.8891 -14.8891 -8.9847 -8.9847 -8.7233 -8.7233 -8.7129 -8.7129 0.2137 0.2137 0.4080 0.4080 0.4232 0.4232 0.6735 0.6735 0.6926 0.6926 0.6935 0.6935 1.0126 1.0126 1.0433 1.0433 1.0453 1.0453 8.6357 8.6357 10.6121 10.6121 10.6182 10.6182 10.8197 10.8197 k = 0.1855 0.1855 0.1855 ( 3590 PWs) bands (ev): -34.0817 -34.0817 -25.3408 -25.3408 -18.0204 -18.0204 -17.9538 -17.9538 -17.9419 -17.9419 -15.2254 -15.2254 -14.8770 -14.8770 -14.8713 -14.8713 -8.9855 -8.9855 -8.7243 -8.7243 -8.7134 -8.7134 0.1967 0.1967 0.3997 0.3997 0.4161 0.4161 0.6407 0.6407 0.6697 0.6697 0.6720 0.6720 1.0112 1.0112 1.0413 1.0413 1.0538 1.0538 8.7240 8.7240 10.6382 10.6382 10.6443 10.6443 10.8477 10.8477 k = 0.1935 0.1935 0.1935 ( 3584 PWs) bands (ev): -34.0814 -34.0814 -25.3406 -25.3406 -18.0306 -18.0306 -17.9666 -17.9666 -17.9541 -17.9541 -15.2065 -15.2065 -14.8590 -14.8590 -14.8532 -14.8532 -8.9863 -8.9863 -8.7254 -8.7254 -8.7139 -8.7139 0.1795 0.1795 0.3905 0.3905 0.4082 0.4082 0.6068 0.6068 0.6464 0.6464 0.6507 0.6507 1.0110 1.0110 1.0405 1.0405 1.0626 1.0626 8.8141 8.8141 10.6647 10.6647 10.6708 10.6708 10.8728 10.8728 k = 0.2016 0.2016 0.2016 ( 3587 PWs) bands (ev): -34.0810 -34.0810 -25.3404 -25.3404 -18.0408 -18.0408 -17.9793 -17.9793 -17.9663 -17.9663 -15.1875 -15.1875 -14.8409 -14.8409 -14.8348 -14.8348 -8.9871 -8.9871 -8.7266 -8.7266 -8.7146 -8.7146 0.1624 0.1624 0.3805 0.3805 0.3993 0.3993 0.5725 0.5725 0.6229 0.6229 0.6290 0.6290 1.0120 1.0120 1.0411 1.0411 1.0717 1.0717 8.9058 8.9058 10.6914 10.6914 10.6975 10.6975 10.8944 10.8944 k = 0.2097 0.2097 0.2097 ( 3581 PWs) bands (ev): -34.0806 -34.0806 -25.3401 -25.3401 -18.0511 -18.0511 -17.9921 -17.9921 -17.9786 -17.9786 -15.1683 -15.1683 -14.8225 -14.8225 -14.8163 -14.8163 -8.9881 -8.9881 -8.7277 -8.7277 -8.7154 -8.7154 0.1453 0.1453 0.3698 0.3698 0.3897 0.3897 0.5381 0.5381 0.5992 0.5992 0.6068 0.6068 1.0142 1.0142 1.0428 1.0428 1.0809 1.0809 8.9988 8.9988 10.7182 10.7182 10.7243 10.7243 10.9126 10.9126 k = 0.2177 0.2177 0.2177 ( 3590 PWs) bands (ev): -34.0802 -34.0802 -25.3399 -25.3399 -18.0614 -18.0614 -18.0049 -18.0049 -17.9909 -17.9909 -15.1490 -15.1490 -14.8040 -14.8040 -14.7977 -14.7977 -8.9891 -8.9891 -8.7290 -8.7290 -8.7163 -8.7163 0.1283 0.1283 0.3583 0.3583 0.3792 0.3792 0.5039 0.5039 0.5753 0.5753 0.5842 0.5842 1.0175 1.0175 1.0458 1.0458 1.0903 1.0903 9.0929 9.0929 10.7450 10.7450 10.7510 10.7510 10.9269 10.9269 k = 0.2258 0.2258 0.2258 ( 3578 PWs) bands (ev): -34.0798 -34.0798 -25.3396 -25.3396 -18.0718 -18.0718 -18.0175 -18.0175 -18.0033 -18.0033 -15.1296 -15.1296 -14.7853 -14.7853 -14.7791 -14.7791 -8.9902 -8.9902 -8.7303 -8.7303 -8.7172 -8.7172 0.1113 0.1113 0.3462 0.3462 0.3681 0.3681 0.4701 0.4701 0.5513 0.5513 0.5613 0.5613 1.0220 1.0220 1.0499 1.0499 1.0998 1.0998 9.1880 9.1880 10.7718 10.7718 10.7778 10.7778 10.9378 10.9378 k = 0.2339 0.2339 0.2339 ( 3572 PWs) bands (ev): -34.0794 -34.0794 -25.3394 -25.3394 -18.0821 -18.0821 -18.0301 -18.0301 -18.0155 -18.0155 -15.1102 -15.1102 -14.7666 -14.7666 -14.7603 -14.7603 -8.9913 -8.9913 -8.7316 -8.7316 -8.7183 -8.7183 0.0944 0.0944 0.3336 0.3336 0.3563 0.3563 0.4367 0.4367 0.5271 0.5271 0.5382 0.5382 1.0275 1.0275 1.0551 1.0551 1.1094 1.1094 9.2838 9.2838 10.7984 10.7984 10.8044 10.8044 10.9452 10.9452 k = 0.2419 0.2419 0.2419 ( 3572 PWs) bands (ev): -34.0790 -34.0790 -25.3391 -25.3391 -18.0925 -18.0925 -18.0426 -18.0426 -18.0277 -18.0277 -15.0909 -15.0909 -14.7479 -14.7479 -14.7417 -14.7417 -8.9926 -8.9926 -8.7330 -8.7330 -8.7195 -8.7195 0.0775 0.0775 0.3205 0.3205 0.3440 0.3440 0.4041 0.4041 0.5030 0.5030 0.5149 0.5149 1.0341 1.0341 1.0613 1.0613 1.1191 1.1191 9.3801 9.3801 10.8248 10.8248 10.8308 10.8308 10.9495 10.9495 k = 0.2500 0.2500 0.2500 ( 3572 PWs) bands (ev): -34.0786 -34.0786 -25.3389 -25.3389 -18.1028 -18.1028 -18.0549 -18.0549 -18.0398 -18.0398 -15.0716 -15.0716 -14.7293 -14.7293 -14.7231 -14.7231 -8.9938 -8.9938 -8.7345 -8.7345 -8.7208 -8.7208 0.0607 0.0607 0.3069 0.3069 0.3311 0.3311 0.3723 0.3723 0.4789 0.4789 0.4916 0.4916 1.0415 1.0415 1.0684 1.0684 1.1289 1.1289 9.4767 9.4767 10.8510 10.8510 10.8568 10.8568 10.9512 10.9512 k = 0.2581 0.2581 0.2581 ( 3572 PWs) bands (ev): -34.0782 -34.0782 -25.3386 -25.3386 -18.1130 -18.1130 -18.0670 -18.0670 -18.0518 -18.0518 -15.0525 -15.0525 -14.7107 -14.7107 -14.7046 -14.7046 -8.9952 -8.9952 -8.7359 -8.7359 -8.7222 -8.7222 0.0438 0.0438 0.2931 0.2931 0.3176 0.3176 0.3417 0.3417 0.4548 0.4548 0.4682 0.4682 1.0498 1.0498 1.0765 1.0765 1.1387 1.1387 9.5733 9.5733 10.8767 10.8767 10.8822 10.8822 10.9507 10.9507 k = 0.2661 0.2661 0.2661 ( 3578 PWs) bands (ev): -34.0778 -34.0778 -25.3384 -25.3384 -18.1231 -18.1231 -18.0789 -18.0789 -18.0637 -18.0637 -15.0335 -15.0335 -14.6923 -14.6923 -14.6862 -14.6862 -8.9966 -8.9966 -8.7374 -8.7374 -8.7238 -8.7238 0.0268 0.0268 0.2790 0.2790 0.3027 0.3027 0.3133 0.3133 0.4310 0.4310 0.4450 0.4450 1.0588 1.0588 1.0852 1.0852 1.1485 1.1485 9.6698 9.6698 10.9019 10.9019 10.9070 10.9070 10.9487 10.9487 k = 0.2742 0.2742 0.2742 ( 3581 PWs) bands (ev): -34.0774 -34.0774 -25.3381 -25.3381 -18.1331 -18.1331 -18.0905 -18.0905 -18.0753 -18.0753 -15.0148 -15.0148 -14.6740 -14.6740 -14.6681 -14.6681 -8.9981 -8.9981 -8.7390 -8.7390 -8.7254 -8.7254 0.0097 0.0097 0.2648 0.2648 0.2808 0.2808 0.2931 0.2931 0.4074 0.4074 0.4219 0.4219 1.0685 1.0685 1.0947 1.0947 1.1582 1.1582 9.7659 9.7659 10.9265 10.9265 10.9296 10.9296 10.9471 10.9471 k = 0.2823 0.2823 0.2823 ( 3590 PWs) bands (ev): -34.0770 -34.0770 -25.3379 -25.3379 -18.1430 -18.1430 -18.1018 -18.1018 -18.0868 -18.0868 -14.9963 -14.9963 -14.6560 -14.6560 -14.6502 -14.6502 -8.9996 -8.9996 -8.7405 -8.7405 -8.7271 -8.7271 -0.0077 -0.0077 0.2504 0.2504 0.2547 0.2547 0.2783 0.2783 0.3841 0.3841 0.3990 0.3990 1.0788 1.0788 1.1047 1.1047 1.1680 1.1680 9.8614 9.8614 10.9373 10.9373 10.9505 10.9505 10.9589 10.9589 k = 0.2903 0.2903 0.2903 ( 3578 PWs) bands (ev): -34.0767 -34.0767 -25.3377 -25.3377 -18.1528 -18.1528 -18.1128 -18.1128 -18.0980 -18.0980 -14.9781 -14.9781 -14.6382 -14.6382 -14.6326 -14.6326 -9.0012 -9.0012 -8.7421 -8.7421 -8.7289 -8.7289 -0.0254 -0.0254 0.2297 0.2297 0.2361 0.2361 0.2642 0.2642 0.3612 0.3612 0.3764 0.3764 1.0896 1.0896 1.1153 1.1153 1.1776 1.1776 9.9561 9.9561 10.9341 10.9341 10.9739 10.9739 10.9808 10.9808 k = 0.2984 0.2984 0.2984 ( 3578 PWs) bands (ev): -34.0763 -34.0763 -25.3374 -25.3374 -18.1624 -18.1624 -18.1235 -18.1235 -18.1089 -18.1089 -14.9603 -14.9603 -14.6207 -14.6207 -14.6153 -14.6153 -9.0028 -9.0028 -8.7437 -8.7437 -8.7308 -8.7308 -0.0435 -0.0435 0.2063 0.2063 0.2218 0.2218 0.2501 0.2501 0.3387 0.3387 0.3542 0.3542 1.1008 1.1008 1.1263 1.1263 1.1872 1.1872 10.0496 10.0496 10.9300 10.9300 10.9963 10.9963 11.0027 11.0027 k = 0.3065 0.3065 0.3065 ( 3572 PWs) bands (ev): -34.0759 -34.0759 -25.3372 -25.3372 -18.1718 -18.1718 -18.1338 -18.1338 -18.1196 -18.1196 -14.9428 -14.9428 -14.6035 -14.6035 -14.5983 -14.5983 -9.0045 -9.0045 -8.7452 -8.7452 -8.7328 -8.7328 -0.0621 -0.0621 0.1848 0.1848 0.2076 0.2076 0.2363 0.2363 0.3167 0.3167 0.3324 0.3324 1.1123 1.1123 1.1377 1.1377 1.1966 1.1966 10.1418 10.1418 10.9262 10.9262 11.0178 11.0178 11.0239 11.0239 k = 0.3145 0.3145 0.3145 ( 3566 PWs) bands (ev): -34.0755 -34.0755 -25.3370 -25.3370 -18.1811 -18.1811 -18.1438 -18.1438 -18.1300 -18.1300 -14.9258 -14.9258 -14.5867 -14.5867 -14.5818 -14.5818 -9.0061 -9.0061 -8.7468 -8.7468 -8.7348 -8.7348 -0.0811 -0.0811 0.1652 0.1652 0.1936 0.1936 0.2225 0.2225 0.2953 0.2953 0.3111 0.3111 1.1241 1.1241 1.1493 1.1493 1.2060 1.2060 10.2323 10.2323 10.9232 10.9232 11.0383 11.0383 11.0441 11.0441 k = 0.3226 0.3226 0.3226 ( 3566 PWs) bands (ev): -34.0752 -34.0752 -25.3368 -25.3368 -18.1901 -18.1901 -18.1533 -18.1533 -18.1401 -18.1401 -14.9092 -14.9092 -14.5704 -14.5704 -14.5657 -14.5657 -9.0078 -9.0078 -8.7484 -8.7484 -8.7369 -8.7369 -0.1005 -0.1005 0.1475 0.1475 0.1798 0.1798 0.2089 0.2089 0.2745 0.2745 0.2904 0.2904 1.1360 1.1360 1.1611 1.1611 1.2151 1.2151 10.3209 10.3209 10.9214 10.9214 11.0575 11.0575 11.0631 11.0631 k = 0.3306 0.3306 0.3306 ( 3554 PWs) bands (ev): -34.0748 -34.0748 -25.3366 -25.3366 -18.1989 -18.1989 -18.1625 -18.1625 -18.1498 -18.1498 -14.8930 -14.8930 -14.5544 -14.5544 -14.5500 -14.5500 -9.0095 -9.0095 -8.7500 -8.7500 -8.7390 -8.7390 -0.1202 -0.1202 0.1318 0.1318 0.1663 0.1663 0.1956 0.1956 0.2545 0.2545 0.2702 0.2702 1.1480 1.1480 1.1730 1.1730 1.2240 1.2240 10.4072 10.4072 10.9212 10.9212 11.0755 11.0755 11.0807 11.0807 k = 0.3387 0.3387 0.3387 ( 3560 PWs) bands (ev): -34.0745 -34.0745 -25.3364 -25.3364 -18.2075 -18.2075 -18.1712 -18.1712 -18.1592 -18.1592 -14.8774 -14.8774 -14.5390 -14.5390 -14.5349 -14.5349 -9.0113 -9.0113 -8.7515 -8.7515 -8.7412 -8.7412 -0.1402 -0.1402 0.1179 0.1179 0.1530 0.1530 0.1824 0.1824 0.2352 0.2352 0.2507 0.2507 1.1600 1.1600 1.1849 1.1849 1.2328 1.2328 10.4907 10.4907 10.9229 10.9229 11.0920 11.0920 11.0968 11.0968 k = 0.3468 0.3468 0.3468 ( 3566 PWs) bands (ev): -34.0741 -34.0741 -25.3362 -25.3362 -18.2158 -18.2158 -18.1795 -18.1795 -18.1683 -18.1683 -14.8624 -14.8624 -14.5241 -14.5241 -14.5203 -14.5203 -9.0130 -9.0130 -8.7531 -8.7531 -8.7434 -8.7434 -0.1602 -0.1602 0.1056 0.1056 0.1401 0.1401 0.1696 0.1696 0.2167 0.2167 0.2319 0.2319 1.1719 1.1719 1.1968 1.1968 1.2413 1.2413 10.5708 10.5708 10.9271 10.9271 11.1068 11.1068 11.1112 11.1112 k = 0.3548 0.3548 0.3548 ( 3572 PWs) bands (ev): -34.0738 -34.0738 -25.3360 -25.3360 -18.2238 -18.2238 -18.1875 -18.1875 -18.1770 -18.1770 -14.8480 -14.8480 -14.5098 -14.5098 -14.5063 -14.5063 -9.0147 -9.0147 -8.7546 -8.7546 -8.7456 -8.7456 -0.1801 -0.1801 0.0949 0.0949 0.1276 0.1276 0.1570 0.1570 0.1992 0.1992 0.2139 0.2139 1.1837 1.1837 1.2086 1.2086 1.2495 1.2495 10.6467 10.6467 10.9345 10.9345 11.1198 11.1198 11.1237 11.1237 k = 0.3629 0.3629 0.3629 ( 3560 PWs) bands (ev): -34.0735 -34.0735 -25.3358 -25.3358 -18.2315 -18.2315 -18.1949 -18.1949 -18.1853 -18.1853 -14.8341 -14.8341 -14.4960 -14.4960 -14.4928 -14.4928 -9.0164 -9.0164 -8.7561 -8.7561 -8.7477 -8.7477 -0.1997 -0.1997 0.0856 0.0856 0.1155 0.1155 0.1448 0.1448 0.1827 0.1827 0.1967 0.1967 1.1952 1.1952 1.2202 1.2202 1.2575 1.2575 10.7168 10.7168 10.9464 10.9464 11.1307 11.1307 11.1340 11.1340 k = 0.3710 0.3710 0.3710 ( 3563 PWs) bands (ev): -34.0732 -34.0732 -25.3357 -25.3357 -18.2388 -18.2388 -18.2020 -18.2020 -18.1931 -18.1931 -14.8209 -14.8209 -14.4829 -14.4829 -14.4799 -14.4799 -9.0180 -9.0180 -8.7575 -8.7575 -8.7499 -8.7499 -0.2189 -0.2189 0.0774 0.0774 0.1039 0.1039 0.1329 0.1329 0.1672 0.1672 0.1804 0.1804 1.2065 1.2065 1.2316 1.2316 1.2652 1.2652 10.7790 10.7790 10.9650 10.9650 11.1394 11.1394 11.1419 11.1419 k = 0.3790 0.3790 0.3790 ( 3563 PWs) bands (ev): -34.0729 -34.0729 -25.3355 -25.3355 -18.2458 -18.2458 -18.2086 -18.2086 -18.2006 -18.2006 -14.8083 -14.8083 -14.4704 -14.4704 -14.4677 -14.4677 -9.0196 -9.0196 -8.7589 -8.7589 -8.7520 -8.7520 -0.2375 -0.2375 0.0701 0.0701 0.0927 0.0927 0.1214 0.1214 0.1529 0.1529 0.1649 0.1649 1.2174 1.2174 1.2426 1.2426 1.2726 1.2726 10.8302 10.8302 10.9928 10.9928 11.1456 11.1456 11.1473 11.1473 k = 0.3871 0.3871 0.3871 ( 3569 PWs) bands (ev): -34.0727 -34.0727 -25.3354 -25.3354 -18.2525 -18.2525 -18.2148 -18.2148 -18.2076 -18.2076 -14.7965 -14.7965 -14.4586 -14.4586 -14.4562 -14.4562 -9.0212 -9.0212 -8.7602 -8.7602 -8.7541 -8.7541 -0.2555 -0.2555 0.0637 0.0637 0.0820 0.0820 0.1104 0.1104 0.1398 0.1398 0.1504 0.1504 1.2278 1.2278 1.2532 1.2532 1.2797 1.2797 10.8689 10.8689 11.0313 11.0313 11.1492 11.1492 11.1501 11.1501 k = 0.3952 0.3952 0.3952 ( 3566 PWs) bands (ev): -34.0724 -34.0724 -25.3352 -25.3352 -18.2587 -18.2587 -18.2205 -18.2205 -18.2142 -18.2142 -14.7853 -14.7853 -14.4475 -14.4475 -14.4454 -14.4454 -9.0227 -9.0227 -8.7615 -8.7615 -8.7561 -8.7561 -0.2726 -0.2726 0.0578 0.0578 0.0719 0.0719 0.1001 0.1001 0.1278 0.1278 0.1368 0.1368 1.2378 1.2378 1.2634 1.2634 1.2864 1.2864 10.8975 10.8975 11.0777 11.0777 11.1503 11.1503 11.1503 11.1503 k = 0.4032 0.4032 0.4032 ( 3566 PWs) bands (ev): -34.0722 -34.0722 -25.3351 -25.3351 -18.2646 -18.2646 -18.2258 -18.2258 -18.2204 -18.2204 -14.7749 -14.7749 -14.4371 -14.4371 -14.4353 -14.4353 -9.0242 -9.0242 -8.7627 -8.7627 -8.7580 -8.7580 -0.2888 -0.2888 0.0522 0.0522 0.0623 0.0623 0.0906 0.0906 0.1170 0.1170 0.1243 0.1243 1.2472 1.2472 1.2731 1.2731 1.2928 1.2928 10.9201 10.9201 11.1273 11.1273 11.1482 11.1482 11.1490 11.1490 k = 0.4113 0.4113 0.4113 ( 3560 PWs) bands (ev): -34.0720 -34.0720 -25.3350 -25.3350 -18.2700 -18.2700 -18.2307 -18.2307 -18.2260 -18.2260 -14.7653 -14.7653 -14.4274 -14.4274 -14.4259 -14.4259 -9.0255 -9.0255 -8.7638 -8.7638 -8.7597 -8.7597 -0.3040 -0.3040 0.0467 0.0467 0.0532 0.0532 0.0823 0.0823 0.1072 0.1072 0.1128 0.1128 1.2560 1.2560 1.2823 1.2823 1.2988 1.2988 10.9400 10.9400 11.1437 11.1437 11.1455 11.1455 11.1770 11.1770 k = 0.4194 0.4194 0.4194 ( 3560 PWs) bands (ev): -34.0718 -34.0718 -25.3349 -25.3349 -18.2750 -18.2750 -18.2352 -18.2352 -18.2312 -18.2312 -14.7564 -14.7564 -14.4185 -14.4185 -14.4172 -14.4172 -9.0268 -9.0268 -8.7649 -8.7649 -8.7614 -8.7614 -0.3181 -0.3181 0.0411 0.0411 0.0448 0.0448 0.0752 0.0752 0.0985 0.0985 0.1022 0.1022 1.2642 1.2642 1.2908 1.2908 1.3045 1.3045 10.9587 10.9587 11.1377 11.1377 11.1403 11.1403 11.2242 11.2242 k = 0.4274 0.4274 0.4274 ( 3557 PWs) bands (ev): -34.0716 -34.0716 -25.3348 -25.3348 -18.2796 -18.2796 -18.2392 -18.2392 -18.2360 -18.2360 -14.7483 -14.7483 -14.4104 -14.4104 -14.4094 -14.4094 -9.0280 -9.0280 -8.7659 -8.7659 -8.7630 -8.7630 -0.3310 -0.3310 0.0353 0.0353 0.0371 0.0371 0.0695 0.0695 0.0908 0.0908 0.0928 0.0928 1.2716 1.2716 1.2987 1.2987 1.3097 1.3097 10.9768 10.9768 11.1306 11.1306 11.1338 11.1338 11.2681 11.2681 k = 0.4355 0.4355 0.4355 ( 3563 PWs) bands (ev): -34.0714 -34.0714 -25.3347 -25.3347 -18.2837 -18.2837 -18.2428 -18.2428 -18.2402 -18.2402 -14.7410 -14.7410 -14.4031 -14.4031 -14.4023 -14.4023 -9.0291 -9.0291 -8.7668 -8.7668 -8.7645 -8.7645 -0.3427 -0.3427 0.0295 0.0295 0.0300 0.0300 0.0651 0.0651 0.0840 0.0840 0.0843 0.0843 1.2783 1.2783 1.3059 1.3059 1.3145 1.3145 10.9945 10.9945 11.1229 11.1229 11.1265 11.1265 11.3078 11.3078 k = 0.4435 0.4435 0.4435 ( 3557 PWs) bands (ev): -34.0713 -34.0713 -25.3346 -25.3346 -18.2874 -18.2874 -18.2460 -18.2460 -18.2440 -18.2440 -14.7346 -14.7346 -14.3966 -14.3966 -14.3960 -14.3960 -9.0300 -9.0300 -8.7675 -8.7675 -8.7658 -8.7658 -0.3532 -0.3532 0.0236 0.0236 0.0238 0.0238 0.0618 0.0618 0.0769 0.0769 0.0781 0.0781 1.2842 1.2842 1.3123 1.3123 1.3189 1.3189 11.0118 11.0118 11.1150 11.1150 11.1190 11.1190 11.3431 11.3431 k = 0.4516 0.4516 0.4516 ( 3560 PWs) bands (ev): -34.0711 -34.0711 -25.3345 -25.3345 -18.2906 -18.2906 -18.2488 -18.2488 -18.2473 -18.2473 -14.7289 -14.7289 -14.3910 -14.3910 -14.3905 -14.3905 -9.0309 -9.0309 -8.7682 -8.7682 -8.7669 -8.7669 -0.3623 -0.3623 0.0181 0.0181 0.0184 0.0184 0.0592 0.0592 0.0705 0.0705 0.0730 0.0730 1.2893 1.2893 1.3180 1.3180 1.3227 1.3227 11.0283 11.0283 11.1073 11.1073 11.1117 11.1117 11.3734 11.3734 k = 0.4597 0.4597 0.4597 ( 3542 PWs) bands (ev): -34.0710 -34.0710 -25.3345 -25.3345 -18.2933 -18.2933 -18.2511 -18.2511 -18.2501 -18.2501 -14.7241 -14.7241 -14.3862 -14.3862 -14.3859 -14.3859 -9.0316 -9.0316 -8.7688 -8.7688 -8.7679 -8.7679 -0.3701 -0.3701 0.0133 0.0133 0.0137 0.0137 0.0573 0.0573 0.0651 0.0651 0.0689 0.0689 1.2937 1.2937 1.3228 1.3228 1.3261 1.3261 11.0436 11.0436 11.1004 11.1004 11.1049 11.1049 11.3988 11.3988 k = 0.4677 0.4677 0.4677 ( 3554 PWs) bands (ev): -34.0709 -34.0709 -25.3344 -25.3344 -18.2955 -18.2955 -18.2530 -18.2530 -18.2523 -18.2523 -14.7202 -14.7202 -14.3823 -14.3823 -14.3821 -14.3821 -9.0323 -9.0323 -8.7693 -8.7693 -8.7687 -8.7687 -0.3765 -0.3765 0.0093 0.0093 0.0096 0.0096 0.0558 0.0558 0.0607 0.0607 0.0656 0.0656 1.2972 1.2972 1.3268 1.3268 1.3289 1.3289 11.0571 11.0571 11.0944 11.0944 11.0990 11.0990 11.4191 11.4191 k = 0.4758 0.4758 0.4758 ( 3544 PWs) bands (ev): -34.0709 -34.0709 -25.3344 -25.3344 -18.2972 -18.2972 -18.2545 -18.2545 -18.2541 -18.2541 -14.7172 -14.7172 -14.3792 -14.3792 -14.3791 -14.3791 -9.0327 -9.0327 -8.7697 -8.7697 -8.7693 -8.7693 -0.3815 -0.3815 0.0062 0.0062 0.0064 0.0064 0.0546 0.0546 0.0573 0.0573 0.0631 0.0631 1.2999 1.2999 1.3300 1.3300 1.3311 1.3311 11.0683 11.0683 11.0896 11.0896 11.0941 11.0941 11.4345 11.4345 k = 0.4839 0.4839 0.4839 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3344 -25.3344 -18.2984 -18.2984 -18.2555 -18.2555 -18.2554 -18.2554 -14.7150 -14.7150 -14.3770 -14.3770 -14.3769 -14.3769 -9.0331 -9.0331 -8.7700 -8.7700 -8.7698 -8.7698 -0.3851 -0.3851 0.0040 0.0040 0.0041 0.0041 0.0537 0.0537 0.0549 0.0549 0.0614 0.0614 1.3019 1.3019 1.3322 1.3322 1.3327 1.3327 11.0761 11.0761 11.0868 11.0868 11.0905 11.0905 11.4449 11.4449 k = 0.4919 0.4919 0.4919 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3344 -25.3344 -18.2992 -18.2992 -18.2562 -18.2562 -18.2561 -18.2561 -14.7137 -14.7137 -14.3757 -14.3757 -14.3757 -14.3757 -9.0333 -9.0333 -8.7701 -8.7701 -8.7701 -8.7701 -0.3873 -0.3873 0.0026 0.0026 0.0026 0.0026 0.0532 0.0532 0.0535 0.0535 0.0605 0.0605 1.3031 1.3031 1.3336 1.3336 1.3337 1.3337 11.0792 11.0792 11.0868 11.0868 11.0883 11.0883 11.4503 11.4503 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3343 -25.3343 -18.2994 -18.2994 -18.2564 -18.2564 -18.2564 -18.2564 -14.7132 -14.7132 -14.3752 -14.3752 -14.3752 -14.3752 -9.0333 -9.0333 -8.7702 -8.7702 -8.7702 -8.7702 -0.3880 -0.3880 0.0022 0.0022 0.0022 0.0022 0.0530 0.0530 0.0530 0.0530 0.0602 0.0602 1.3034 1.3034 1.3340 1.3340 1.3340 1.3340 11.0796 11.0796 11.0875 11.0875 11.0875 11.0875 11.4519 11.4519 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3343 -25.3343 -18.2994 -18.2994 -18.2564 -18.2564 -18.2564 -18.2564 -14.7132 -14.7132 -14.3752 -14.3752 -14.3752 -14.3752 -9.0333 -9.0333 -8.7702 -8.7702 -8.7702 -8.7702 -0.3880 -0.3880 0.0022 0.0022 0.0022 0.0022 0.0530 0.0530 0.0530 0.0530 0.0602 0.0602 1.3034 1.3034 1.3340 1.3340 1.3340 1.3340 11.0796 11.0796 11.0875 11.0875 11.0875 11.0875 11.4519 11.4519 k = 0.4900 0.5000 0.4900 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3344 -25.3344 -18.2992 -18.2992 -18.2563 -18.2563 -18.2560 -18.2560 -14.7137 -14.7137 -14.3759 -14.3759 -14.3755 -14.3755 -9.0333 -9.0333 -8.7701 -8.7701 -8.7701 -8.7701 -0.3872 -0.3872 0.0024 0.0024 0.0029 0.0029 0.0531 0.0531 0.0535 0.0535 0.0605 0.0605 1.3030 1.3030 1.3335 1.3335 1.3338 1.3338 11.0793 11.0793 11.0867 11.0867 11.0883 11.0883 11.4501 11.4501 k = 0.4800 0.5000 0.4800 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3344 -25.3344 -18.2984 -18.2984 -18.2559 -18.2559 -18.2549 -18.2549 -14.7150 -14.7150 -14.3779 -14.3779 -14.3761 -14.3761 -9.0331 -9.0331 -8.7700 -8.7700 -8.7698 -8.7698 -0.3850 -0.3850 0.0031 0.0031 0.0050 0.0050 0.0534 0.0534 0.0552 0.0552 0.0616 0.0616 1.3018 1.3018 1.3320 1.3320 1.3329 1.3329 11.0771 11.0771 11.0853 11.0853 11.0910 11.0910 11.4437 11.4437 k = 0.4700 0.5000 0.4700 ( 3544 PWs) bands (ev): -34.0709 -34.0709 -25.3344 -25.3344 -18.2972 -18.2972 -18.2553 -18.2553 -18.2531 -18.2531 -14.7173 -14.7173 -14.3812 -14.3812 -14.3772 -14.3772 -9.0327 -9.0327 -8.7697 -8.7697 -8.7693 -8.7693 -0.3814 -0.3814 0.0042 0.0042 0.0086 0.0086 0.0539 0.0539 0.0578 0.0578 0.0637 0.0637 1.2998 1.2998 1.3295 1.3295 1.3315 1.3315 11.0711 11.0711 11.0842 11.0842 11.0965 11.0965 11.4321 11.4321 k = 0.4600 0.5000 0.4600 ( 3556 PWs) bands (ev): -34.0709 -34.0709 -25.3344 -25.3344 -18.2956 -18.2956 -18.2544 -18.2544 -18.2506 -18.2506 -14.7205 -14.7205 -14.3858 -14.3858 -14.3788 -14.3788 -9.0322 -9.0322 -8.7694 -8.7694 -8.7686 -8.7686 -0.3764 -0.3764 0.0059 0.0059 0.0135 0.0135 0.0544 0.0544 0.0610 0.0610 0.0672 0.0672 1.2969 1.2969 1.3260 1.3260 1.3295 1.3295 11.0621 11.0621 11.0832 11.0832 11.1046 11.1046 11.4159 11.4159 k = 0.4500 0.5000 0.4500 ( 3560 PWs) bands (ev): -34.0710 -34.0710 -25.3345 -25.3345 -18.2936 -18.2936 -18.2531 -18.2531 -18.2473 -18.2473 -14.7246 -14.7246 -14.3918 -14.3918 -14.3807 -14.3807 -9.0316 -9.0316 -8.7689 -8.7689 -8.7677 -8.7677 -0.3700 -0.3700 0.0080 0.0080 0.0196 0.0196 0.0551 0.0551 0.0646 0.0646 0.0724 0.0724 1.2931 1.2931 1.3217 1.3217 1.3271 1.3271 11.0507 11.0507 11.0820 11.0820 11.1152 11.1152 11.3956 11.3956 k = 0.4400 0.5000 0.4400 ( 3556 PWs) bands (ev): -34.0711 -34.0711 -25.3345 -25.3345 -18.2914 -18.2914 -18.2513 -18.2513 -18.2433 -18.2433 -14.7296 -14.7296 -14.3989 -14.3989 -14.3829 -14.3829 -9.0308 -9.0308 -8.7684 -8.7684 -8.7667 -8.7667 -0.3624 -0.3624 0.0106 0.0106 0.0267 0.0267 0.0562 0.0562 0.0687 0.0687 0.0794 0.0794 1.2883 1.2883 1.3165 1.3165 1.3241 1.3241 11.0372 11.0372 11.0805 11.0805 11.1282 11.1282 11.3719 11.3719 k = 0.4300 0.5000 0.4300 ( 3552 PWs) bands (ev): -34.0713 -34.0713 -25.3346 -25.3346 -18.2891 -18.2891 -18.2489 -18.2489 -18.2386 -18.2386 -14.7356 -14.7356 -14.4074 -14.4074 -14.3855 -14.3855 -9.0300 -9.0300 -8.7677 -8.7677 -8.7654 -8.7654 -0.3537 -0.3537 0.0137 0.0137 0.0343 0.0343 0.0582 0.0582 0.0735 0.0735 0.0879 0.0879 1.2825 1.2825 1.3105 1.3105 1.3208 1.3208 11.0222 11.0222 11.0784 11.0784 11.1435 11.1435 11.3453 11.3453 k = 0.4200 0.5000 0.4200 ( 3556 PWs) bands (ev): -34.0714 -34.0714 -25.3347 -25.3347 -18.2869 -18.2869 -18.2459 -18.2459 -18.2331 -18.2331 -14.7426 -14.7426 -14.4170 -14.4170 -14.3883 -14.3883 -9.0290 -9.0290 -8.7670 -8.7670 -8.7640 -8.7640 -0.3440 -0.3440 0.0172 0.0172 0.0414 0.0414 0.0621 0.0621 0.0791 0.0791 0.0978 0.0978 1.2757 1.2757 1.3038 1.3038 1.3170 1.3170 11.0058 11.0058 11.0757 11.0757 11.1610 11.1610 11.3162 11.3162 k = 0.4100 0.5000 0.4100 ( 3556 PWs) bands (ev): -34.0716 -34.0716 -25.3348 -25.3348 -18.2848 -18.2848 -18.2419 -18.2419 -18.2270 -18.2270 -14.7506 -14.7506 -14.4279 -14.4279 -14.3914 -14.3914 -9.0279 -9.0279 -8.7661 -8.7661 -8.7625 -8.7625 -0.3335 -0.3335 0.0212 0.0212 0.0469 0.0469 0.0689 0.0689 0.0859 0.0859 0.1091 0.1091 1.2678 1.2678 1.2965 1.2965 1.3129 1.3129 10.9883 10.9883 11.0721 11.0721 11.1807 11.1807 11.2851 11.2851 k = 0.4000 0.5000 0.4000 ( 3552 PWs) bands (ev): -34.0718 -34.0718 -25.3349 -25.3349 -18.2829 -18.2829 -18.2371 -18.2371 -18.2201 -18.2201 -14.7596 -14.7596 -14.4399 -14.4399 -14.3946 -14.3946 -9.0267 -9.0267 -8.7652 -8.7652 -8.7608 -8.7608 -0.3222 -0.3222 0.0255 0.0255 0.0510 0.0510 0.0781 0.0781 0.0942 0.0942 0.1219 0.1219 1.2589 1.2589 1.2885 1.2885 1.3084 1.3084 10.9700 10.9700 11.0673 11.0673 11.2024 11.2024 11.2526 11.2526 k = 0.3900 0.5000 0.3900 ( 3556 PWs) bands (ev): -34.0720 -34.0720 -25.3350 -25.3350 -18.2814 -18.2814 -18.2314 -18.2314 -18.2126 -18.2126 -14.7696 -14.7696 -14.4530 -14.4530 -14.3980 -14.3980 -9.0254 -9.0254 -8.7643 -8.7643 -8.7589 -8.7589 -0.3105 -0.3105 0.0299 0.0299 0.0548 0.0548 0.0882 0.0882 0.1048 0.1048 0.1361 0.1361 1.2490 1.2490 1.2801 1.2801 1.3035 1.3035 10.9509 10.9509 11.0606 11.0606 11.2189 11.2189 11.2267 11.2267 k = 0.3800 0.5000 0.3800 ( 3568 PWs) bands (ev): -34.0722 -34.0722 -25.3351 -25.3351 -18.2801 -18.2801 -18.2248 -18.2248 -18.2044 -18.2044 -14.7806 -14.7806 -14.4672 -14.4672 -14.4014 -14.4014 -9.0240 -9.0240 -8.7632 -8.7632 -8.7571 -8.7571 -0.2984 -0.2984 0.0341 0.0341 0.0594 0.0594 0.0980 0.0980 0.1182 0.1182 0.1516 0.1516 1.2381 1.2381 1.2710 1.2710 1.2983 1.2983 10.9314 10.9314 11.0509 11.0509 11.1870 11.1870 11.2519 11.2519 k = 0.3700 0.5000 0.3700 ( 3558 PWs) bands (ev): -34.0724 -34.0724 -25.3352 -25.3352 -18.2791 -18.2791 -18.2173 -18.2173 -18.1955 -18.1955 -14.7926 -14.7926 -14.4824 -14.4824 -14.4049 -14.4049 -9.0225 -9.0225 -8.7621 -8.7621 -8.7550 -8.7550 -0.2863 -0.2863 0.0380 0.0380 0.0654 0.0654 0.1077 0.1077 0.1338 0.1338 0.1685 0.1685 1.2265 1.2265 1.2615 1.2615 1.2926 1.2926 10.9116 10.9116 11.0365 11.0365 11.1573 11.1573 11.2793 11.2793 k = 0.3600 0.5000 0.3600 ( 3558 PWs) bands (ev): -34.0727 -34.0727 -25.3354 -25.3354 -18.2783 -18.2783 -18.2091 -18.2091 -18.1859 -18.1859 -14.8057 -14.8057 -14.4986 -14.4986 -14.4084 -14.4084 -9.0210 -9.0210 -8.7608 -8.7608 -8.7529 -8.7529 -0.2742 -0.2742 0.0415 0.0415 0.0730 0.0730 0.1174 0.1174 0.1513 0.1513 0.1868 0.1868 1.2142 1.2142 1.2514 1.2514 1.2866 1.2866 10.8915 10.8915 11.0149 11.0149 11.1327 11.1327 11.3085 11.3085 k = 0.3500 0.5000 0.3500 ( 3570 PWs) bands (ev): -34.0729 -34.0729 -25.3355 -25.3355 -18.2777 -18.2777 -18.2001 -18.2001 -18.1757 -18.1757 -14.8198 -14.8198 -14.5158 -14.5158 -14.4119 -14.4119 -9.0194 -9.0194 -8.7596 -8.7596 -8.7507 -8.7507 -0.2624 -0.2624 0.0448 0.0448 0.0822 0.0822 0.1276 0.1276 0.1703 0.1703 0.2065 0.2065 1.2012 1.2012 1.2408 1.2408 1.2801 1.2801 10.8713 10.8713 10.9851 10.9851 11.1145 11.1145 11.3387 11.3387 k = 0.3400 0.5000 0.3400 ( 3566 PWs) bands (ev): -34.0732 -34.0732 -25.3357 -25.3357 -18.2773 -18.2773 -18.1905 -18.1905 -18.1649 -18.1649 -14.8347 -14.8347 -14.5338 -14.5338 -14.4153 -14.4153 -9.0178 -9.0178 -8.7583 -8.7583 -8.7485 -8.7485 -0.2510 -0.2510 0.0482 0.0482 0.0929 0.0929 0.1383 0.1383 0.1904 0.1904 0.2275 0.2275 1.1877 1.1877 1.2298 1.2298 1.2732 1.2732 10.8512 10.8512 10.9482 10.9482 11.1016 11.1016 11.3276 11.3276 k = 0.3300 0.5000 0.3300 ( 3574 PWs) bands (ev): -34.0735 -34.0735 -25.3358 -25.3358 -18.2770 -18.2770 -18.1803 -18.1803 -18.1535 -18.1535 -14.8507 -14.8507 -14.5527 -14.5527 -14.4186 -14.4186 -9.0162 -9.0162 -8.7569 -8.7569 -8.7462 -8.7462 -0.2402 -0.2402 0.0518 0.0518 0.1049 0.1049 0.1495 0.1495 0.2116 0.2116 0.2498 0.2498 1.1738 1.1738 1.2183 1.2183 1.2659 1.2659 10.8310 10.8310 10.9063 10.9063 11.0923 11.0923 11.3137 11.3137 k = 0.3200 0.5000 0.3200 ( 3574 PWs) bands (ev): -34.0738 -34.0738 -25.3360 -25.3360 -18.2767 -18.2767 -18.1696 -18.1696 -18.1415 -18.1415 -14.8675 -14.8675 -14.5722 -14.5722 -14.4218 -14.4218 -9.0145 -9.0145 -8.7555 -8.7555 -8.7439 -8.7439 -0.2300 -0.2300 0.0558 0.0558 0.1182 0.1182 0.1614 0.1614 0.2336 0.2336 0.2736 0.2736 1.1597 1.1597 1.2064 1.2064 1.2582 1.2582 10.8110 10.8110 10.8609 10.8609 11.0851 11.0851 11.2996 11.2996 k = 0.3100 0.5000 0.3100 ( 3586 PWs) bands (ev): -34.0741 -34.0741 -25.3362 -25.3362 -18.2765 -18.2765 -18.1585 -18.1585 -18.1290 -18.1290 -14.8852 -14.8852 -14.5925 -14.5925 -14.4249 -14.4249 -9.0128 -9.0128 -8.7541 -8.7541 -8.7417 -8.7417 -0.2206 -0.2206 0.0603 0.0603 0.1324 0.1324 0.1739 0.1739 0.2562 0.2562 0.2987 0.2987 1.1454 1.1454 1.1939 1.1939 1.2500 1.2500 10.7910 10.7910 10.8130 10.8130 11.0791 11.0791 11.2852 11.2852 k = 0.3000 0.5000 0.3000 ( 3576 PWs) bands (ev): -34.0744 -34.0744 -25.3363 -25.3363 -18.2764 -18.2764 -18.1468 -18.1468 -18.1159 -18.1159 -14.9036 -14.9036 -14.6134 -14.6134 -14.4279 -14.4279 -9.0111 -9.0111 -8.7526 -8.7526 -8.7394 -8.7394 -0.2120 -0.2120 0.0654 0.0654 0.1476 0.1476 0.1870 0.1870 0.2793 0.2793 0.3252 0.3252 1.1311 1.1311 1.1811 1.1811 1.2413 1.2413 10.7624 10.7624 10.7722 10.7722 11.0741 11.0741 11.2707 11.2707 k = 0.2900 0.5000 0.2900 ( 3576 PWs) bands (ev): -34.0747 -34.0747 -25.3365 -25.3365 -18.2763 -18.2763 -18.1349 -18.1349 -18.1024 -18.1024 -14.9227 -14.9227 -14.6348 -14.6348 -14.4307 -14.4307 -9.0094 -9.0094 -8.7511 -8.7511 -8.7371 -8.7371 -0.2041 -0.2041 0.0712 0.0712 0.1635 0.1635 0.2008 0.2008 0.3027 0.3027 0.3531 0.3531 1.1169 1.1169 1.1679 1.1679 1.2322 1.2322 10.7115 10.7115 10.7524 10.7524 11.0697 11.0697 11.2561 11.2561 k = 0.2800 0.5000 0.2800 ( 3560 PWs) bands (ev): -34.0750 -34.0750 -25.3367 -25.3367 -18.2763 -18.2763 -18.1225 -18.1225 -18.0884 -18.0884 -14.9424 -14.9424 -14.6566 -14.6566 -14.4333 -14.4333 -9.0076 -9.0076 -8.7496 -8.7496 -8.7349 -8.7349 -0.1969 -0.1969 0.0778 0.0778 0.1801 0.1801 0.2153 0.2153 0.3261 0.3261 0.3824 0.3824 1.1029 1.1029 1.1543 1.1543 1.2226 1.2226 10.6591 10.6591 10.7332 10.7332 11.0658 11.0658 11.2415 11.2415 k = 0.2700 0.5000 0.2700 ( 3560 PWs) bands (ev): -34.0753 -34.0753 -25.3369 -25.3369 -18.2762 -18.2762 -18.1099 -18.1099 -18.0741 -18.0741 -14.9628 -14.9628 -14.6789 -14.6789 -14.4359 -14.4359 -9.0060 -9.0060 -8.7481 -8.7481 -8.7327 -8.7327 -0.1904 -0.1904 0.0852 0.0852 0.1971 0.1971 0.2304 0.2304 0.3493 0.3493 0.4129 0.4129 1.0893 1.0893 1.1403 1.1403 1.2125 1.2125 10.6059 10.6059 10.7143 10.7143 11.0624 11.0624 11.2228 11.2228 k = 0.2600 0.5000 0.2600 ( 3560 PWs) bands (ev): -34.0757 -34.0757 -25.3371 -25.3371 -18.2762 -18.2762 -18.0970 -18.0970 -18.0594 -18.0594 -14.9836 -14.9836 -14.7014 -14.7014 -14.4382 -14.4382 -9.0043 -9.0043 -8.7465 -8.7465 -8.7306 -8.7306 -0.1846 -0.1846 0.0935 0.0935 0.2145 0.2145 0.2461 0.2461 0.3721 0.3721 0.4445 0.4445 1.0763 1.0763 1.1260 1.1260 1.2019 1.2019 10.5520 10.5520 10.6956 10.6956 11.0593 11.0593 11.1896 11.1896 k = 0.2500 0.5000 0.2500 ( 3564 PWs) bands (ev): -34.0760 -34.0760 -25.3372 -25.3372 -18.2762 -18.2762 -18.0840 -18.0840 -18.0445 -18.0445 -15.0049 -15.0049 -14.7242 -14.7242 -14.4405 -14.4405 -9.0027 -9.0027 -8.7450 -8.7450 -8.7285 -8.7285 -0.1795 -0.1795 0.1026 0.1026 0.2321 0.2321 0.2624 0.2624 0.3945 0.3945 0.4771 0.4771 1.0638 1.0638 1.1114 1.1114 1.1909 1.1909 10.4978 10.4978 10.6771 10.6771 11.0566 11.0566 11.1547 11.1547 k = 0.2400 0.5000 0.2400 ( 3552 PWs) bands (ev): -34.0763 -34.0763 -25.3374 -25.3374 -18.2762 -18.2762 -18.0707 -18.0707 -18.0293 -18.0293 -15.0264 -15.0264 -14.7472 -14.7472 -14.4426 -14.4426 -9.0011 -9.0011 -8.7435 -8.7435 -8.7265 -8.7265 -0.1748 -0.1748 0.1126 0.1126 0.2499 0.2499 0.2792 0.2792 0.4161 0.4161 0.5105 0.5105 1.0521 1.0521 1.0965 1.0965 1.1793 1.1793 10.4434 10.4434 10.6588 10.6588 11.0544 11.0544 11.1188 11.1188 k = 0.2300 0.5000 0.2300 ( 3554 PWs) bands (ev): -34.0767 -34.0767 -25.3376 -25.3376 -18.2762 -18.2762 -18.0574 -18.0574 -18.0139 -18.0139 -15.0482 -15.0482 -14.7702 -14.7702 -14.4445 -14.4445 -8.9995 -8.9995 -8.7420 -8.7420 -8.7246 -8.7246 -0.1706 -0.1706 0.1235 0.1235 0.2679 0.2679 0.2965 0.2965 0.4367 0.4367 0.5446 0.5446 1.0414 1.0414 1.0814 1.0814 1.1673 1.1673 10.3891 10.3891 10.6406 10.6406 11.0524 11.0524 11.0822 11.0822 k = 0.2200 0.5000 0.2200 ( 3546 PWs) bands (ev): -34.0770 -34.0770 -25.3378 -25.3378 -18.2762 -18.2762 -18.0440 -18.0440 -17.9984 -17.9984 -15.0701 -15.0701 -14.7932 -14.7932 -14.4464 -14.4464 -8.9980 -8.9980 -8.7405 -8.7405 -8.7228 -8.7228 -0.1669 -0.1669 0.1353 0.1353 0.2859 0.2859 0.3141 0.3141 0.4563 0.4563 0.5791 0.5791 1.0315 1.0315 1.0663 1.0663 1.1547 1.1547 10.3350 10.3350 10.6225 10.6225 11.0440 11.0440 11.0520 11.0520 k = 0.2100 0.5000 0.2100 ( 3546 PWs) bands (ev): -34.0773 -34.0773 -25.3380 -25.3380 -18.2762 -18.2762 -18.0307 -18.0307 -17.9828 -17.9828 -15.0920 -15.0920 -14.8160 -14.8160 -14.4481 -14.4481 -8.9966 -8.9966 -8.7391 -8.7391 -8.7211 -8.7211 -0.1636 -0.1636 0.1481 0.1481 0.3041 0.3041 0.3319 0.3319 0.4745 0.4745 0.6138 0.6138 1.0223 1.0223 1.0515 1.0515 1.1417 1.1417 10.2815 10.2815 10.6042 10.6042 11.0077 11.0077 11.0503 11.0503 k = 0.2000 0.5000 0.2000 ( 3538 PWs) bands (ev): -34.0776 -34.0776 -25.3382 -25.3382 -18.2762 -18.2762 -18.0173 -18.0173 -17.9673 -17.9673 -15.1139 -15.1139 -14.8387 -14.8387 -14.4497 -14.4497 -8.9952 -8.9952 -8.7377 -8.7377 -8.7195 -8.7195 -0.1606 -0.1606 0.1617 0.1617 0.3223 0.3223 0.3499 0.3499 0.4912 0.4912 0.6486 0.6486 1.0132 1.0132 1.0379 1.0379 1.1282 1.1282 10.2286 10.2286 10.5858 10.5858 10.9711 10.9711 11.0495 11.0495 k = 0.1900 0.5000 0.1900 ( 3542 PWs) bands (ev): -34.0779 -34.0779 -25.3384 -25.3384 -18.2762 -18.2762 -18.0041 -18.0041 -17.9518 -17.9518 -15.1356 -15.1356 -14.8611 -14.8611 -14.4512 -14.4512 -8.9939 -8.9939 -8.7364 -8.7364 -8.7180 -8.7180 -0.1579 -0.1579 0.1762 0.1762 0.3406 0.3406 0.3680 0.3680 0.5062 0.5062 0.6833 0.6833 1.0026 1.0026 1.0271 1.0271 1.1142 1.1142 10.1766 10.1766 10.5670 10.5670 10.9353 10.9353 11.0492 11.0492 k = 0.1800 0.5000 0.1800 ( 3542 PWs) bands (ev): -34.0782 -34.0782 -25.3386 -25.3386 -18.2762 -18.2762 -17.9910 -17.9910 -17.9365 -17.9365 -15.1570 -15.1570 -14.8831 -14.8831 -14.4526 -14.4526 -8.9926 -8.9926 -8.7351 -8.7351 -8.7166 -8.7166 -0.1554 -0.1554 0.1916 0.1916 0.3588 0.3588 0.3861 0.3861 0.5194 0.5194 0.7176 0.7176 0.9892 0.9892 1.0205 1.0205 1.0997 1.0997 10.1258 10.1258 10.5478 10.5478 10.9008 10.9008 11.0493 11.0493 k = 0.1700 0.5000 0.1700 ( 3546 PWs) bands (ev): -34.0785 -34.0785 -25.3387 -25.3387 -18.2761 -18.2761 -17.9782 -17.9782 -17.9214 -17.9214 -15.1781 -15.1781 -14.9046 -14.9046 -14.4538 -14.4538 -8.9914 -8.9914 -8.7338 -8.7338 -8.7152 -8.7152 -0.1533 -0.1533 0.2078 0.2078 0.3768 0.3768 0.4043 0.4043 0.5308 0.5308 0.7513 0.7513 0.9737 0.9737 1.0175 1.0175 1.0847 1.0847 10.0763 10.0763 10.5279 10.5279 10.8680 10.8680 11.0497 11.0497 k = 0.1600 0.5000 0.1600 ( 3546 PWs) bands (ev): -34.0788 -34.0788 -25.3389 -25.3389 -18.2761 -18.2761 -17.9656 -17.9656 -17.9065 -17.9065 -15.1987 -15.1987 -14.9255 -14.9255 -14.4550 -14.4550 -8.9903 -8.9903 -8.7327 -8.7327 -8.7140 -8.7140 -0.1513 -0.1513 0.2248 0.2248 0.3947 0.3947 0.4224 0.4224 0.5403 0.5403 0.7841 0.7841 0.9570 0.9570 1.0173 1.0173 1.0693 1.0693 10.0283 10.0283 10.5074 10.5074 10.8372 10.8372 11.0504 11.0504 k = 0.1500 0.5000 0.1500 ( 3550 PWs) bands (ev): -34.0791 -34.0791 -25.3391 -25.3391 -18.2761 -18.2761 -17.9534 -17.9534 -17.8921 -17.8921 -15.2187 -15.2187 -14.9457 -14.9457 -14.4561 -14.4561 -8.9893 -8.9893 -8.7316 -8.7316 -8.7129 -8.7129 -0.1495 -0.1495 0.2425 0.2425 0.4121 0.4121 0.4407 0.4407 0.5479 0.5479 0.8159 0.8159 0.9397 0.9397 1.0191 1.0191 1.0535 1.0535 9.9821 9.9821 10.4862 10.4862 10.8088 10.8088 11.0514 11.0514 k = 0.1400 0.5000 0.1400 ( 3554 PWs) bands (ev): -34.0793 -34.0793 -25.3392 -25.3392 -18.2760 -18.2760 -17.9415 -17.9415 -17.8781 -17.8781 -15.2381 -15.2381 -14.9652 -14.9652 -14.4571 -14.4571 -8.9883 -8.9883 -8.7305 -8.7305 -8.7118 -8.7118 -0.1480 -0.1480 0.2608 0.2608 0.4288 0.4288 0.4591 0.4591 0.5539 0.5539 0.8462 0.8462 0.9223 0.9223 1.0226 1.0226 1.0373 1.0373 9.9378 9.9378 10.4643 10.4643 10.7829 10.7829 11.0526 11.0526 k = 0.1300 0.5000 0.1300 ( 3558 PWs) bands (ev): -34.0796 -34.0796 -25.3394 -25.3394 -18.2760 -18.2760 -17.9302 -17.9302 -17.8646 -17.8646 -15.2566 -15.2566 -14.9839 -14.9839 -14.4581 -14.4581 -8.9874 -8.9874 -8.7296 -8.7296 -8.7108 -8.7108 -0.1465 -0.1465 0.2797 0.2797 0.4448 0.4448 0.4778 0.4778 0.5583 0.5583 0.8731 0.8731 0.9065 0.9065 1.0202 1.0202 1.0281 1.0281 9.8956 9.8956 10.4419 10.4419 10.7598 10.7598 11.0539 11.0539 k = 0.1200 0.5000 0.1200 ( 3558 PWs) bands (ev): -34.0798 -34.0798 -25.3395 -25.3395 -18.2760 -18.2760 -17.9194 -17.9194 -17.8517 -17.8517 -15.2743 -15.2743 -15.0015 -15.0015 -14.4589 -14.4589 -8.9866 -8.9866 -8.7287 -8.7287 -8.7100 -8.7100 -0.1452 -0.1452 0.2991 0.2991 0.4598 0.4598 0.4967 0.4967 0.5614 0.5614 0.8788 0.8788 0.9102 0.9102 1.0033 1.0033 1.0341 1.0341 9.8557 9.8557 10.4191 10.4191 10.7394 10.7394 11.0552 11.0552 k = 0.1100 0.5000 0.1100 ( 3560 PWs) bands (ev): -34.0800 -34.0800 -25.3397 -25.3397 -18.2759 -18.2759 -17.9091 -17.9091 -17.8395 -17.8395 -15.2910 -15.2910 -15.0182 -15.0182 -14.4597 -14.4597 -8.9858 -8.9858 -8.7279 -8.7279 -8.7092 -8.7092 -0.1441 -0.1441 0.3189 0.3189 0.4736 0.4736 0.5157 0.5157 0.5635 0.5635 0.8627 0.8627 0.9336 0.9336 0.9860 0.9860 1.0413 1.0413 9.8183 9.8183 10.3964 10.3964 10.7215 10.7215 11.0564 11.0564 k = 0.1000 0.5000 0.1000 ( 3578 PWs) bands (ev): -34.0802 -34.0802 -25.3398 -25.3398 -18.2759 -18.2759 -17.8996 -17.8996 -17.8281 -17.8281 -15.3067 -15.3067 -15.0337 -15.0337 -14.4604 -14.4604 -8.9851 -8.9851 -8.7271 -8.7271 -8.7085 -8.7085 -0.1431 -0.1431 0.3390 0.3390 0.4863 0.4863 0.5346 0.5346 0.5653 0.5653 0.8444 0.8444 0.9572 0.9572 0.9683 0.9683 1.0491 1.0491 9.7835 9.7835 10.3741 10.3741 10.7060 10.7060 11.0573 11.0573 k = 0.0900 0.5000 0.0900 ( 3556 PWs) bands (ev): -34.0804 -34.0804 -25.3399 -25.3399 -18.2758 -18.2758 -17.8907 -17.8907 -17.8174 -17.8174 -15.3210 -15.3210 -15.0480 -15.0480 -14.4609 -14.4609 -8.9845 -8.9845 -8.7264 -8.7264 -8.7078 -8.7078 -0.1421 -0.1421 0.3592 0.3592 0.4978 0.4978 0.5515 0.5515 0.5684 0.5684 0.8256 0.8256 0.9503 0.9503 0.9791 0.9791 1.0575 1.0575 9.7515 9.7515 10.3526 10.3526 10.6929 10.6929 11.0582 11.0582 k = 0.0800 0.5000 0.0800 ( 3568 PWs) bands (ev): -34.0806 -34.0806 -25.3400 -25.3400 -18.2758 -18.2758 -17.8826 -17.8826 -17.8077 -17.8077 -15.3343 -15.3343 -15.0611 -15.0611 -14.4615 -14.4615 -8.9839 -8.9839 -8.7259 -8.7259 -8.7072 -8.7072 -0.1414 -0.1414 0.3793 0.3793 0.5080 0.5080 0.5598 0.5598 0.5799 0.5799 0.8069 0.8069 0.9322 0.9322 0.9987 0.9987 1.0660 1.0660 9.7225 9.7225 10.3322 10.3322 10.6817 10.6817 11.0589 11.0589 k = 0.0700 0.5000 0.0700 ( 3568 PWs) bands (ev): -34.0807 -34.0807 -25.3401 -25.3401 -18.2758 -18.2758 -17.8753 -17.8753 -17.7989 -17.7989 -15.3461 -15.3461 -15.0727 -15.0727 -14.4620 -14.4620 -8.9835 -8.9835 -8.7254 -8.7254 -8.7067 -8.7067 -0.1407 -0.1407 0.3992 0.3992 0.5168 0.5168 0.5614 0.5614 0.5977 0.5977 0.7884 0.7884 0.9139 0.9139 1.0158 1.0158 1.0746 1.0746 9.6965 9.6965 10.3133 10.3133 10.6723 10.6723 11.0600 11.0600 k = 0.0600 0.5000 0.0600 ( 3564 PWs) bands (ev): -34.0809 -34.0809 -25.3402 -25.3402 -18.2757 -18.2757 -17.8688 -17.8688 -17.7912 -17.7912 -15.3565 -15.3565 -15.0830 -15.0830 -14.4624 -14.4624 -8.9830 -8.9830 -8.7249 -8.7249 -8.7062 -8.7062 -0.1401 -0.1401 0.4186 0.4186 0.5242 0.5242 0.5618 0.5618 0.6165 0.6165 0.7704 0.7704 0.8957 0.8957 1.0304 1.0304 1.0830 1.0830 9.6738 9.6738 10.2964 10.2964 10.6646 10.6646 11.0613 11.0613 k = 0.0500 0.5000 0.0500 ( 3556 PWs) bands (ev): -34.0810 -34.0810 -25.3403 -25.3403 -18.2757 -18.2757 -17.8633 -17.8633 -17.7845 -17.7845 -15.3654 -15.3654 -15.0918 -15.0918 -14.4627 -14.4627 -8.9827 -8.9827 -8.7245 -8.7245 -8.7058 -8.7058 -0.1396 -0.1396 0.4371 0.4371 0.5300 0.5300 0.5622 0.5622 0.6349 0.6349 0.7535 0.7535 0.8778 0.8778 1.0423 1.0423 1.0910 1.0910 9.6543 9.6543 10.2815 10.2815 10.6584 10.6584 11.0630 11.0630 k = 0.0400 0.5000 0.0400 ( 3556 PWs) bands (ev): -34.0811 -34.0811 -25.3403 -25.3403 -18.2757 -18.2757 -17.8588 -17.8588 -17.7790 -17.7790 -15.3728 -15.3728 -15.0990 -15.0990 -14.4630 -14.4630 -8.9824 -8.9824 -8.7242 -8.7242 -8.7055 -8.7055 -0.1392 -0.1392 0.4542 0.4542 0.5343 0.5343 0.5628 0.5628 0.6521 0.6521 0.7383 0.7383 0.8604 0.8604 1.0518 1.0518 1.0982 1.0982 9.6383 9.6383 10.2690 10.2690 10.6534 10.6534 11.0647 11.0647 k = 0.0300 0.5000 0.0300 ( 3556 PWs) bands (ev): -34.0811 -34.0811 -25.3404 -25.3404 -18.2757 -18.2757 -17.8552 -17.8552 -17.7747 -17.7747 -15.3786 -15.3786 -15.1047 -15.1047 -14.4632 -14.4632 -8.9822 -8.9822 -8.7240 -8.7240 -8.7053 -8.7053 -0.1389 -0.1389 0.4692 0.4692 0.5372 0.5372 0.5636 0.5636 0.6670 0.6670 0.7261 0.7261 0.8441 0.8441 1.0589 1.0589 1.1043 1.1043 9.6257 9.6257 10.2591 10.2591 10.6497 10.6497 11.0663 11.0663 k = 0.0200 0.5000 0.0200 ( 3550 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2756 -18.2756 -17.8526 -17.8526 -17.7716 -17.7716 -15.3828 -15.3828 -15.1088 -15.1088 -14.4633 -14.4633 -8.9820 -8.9820 -8.7238 -8.7238 -8.7051 -8.7051 -0.1386 -0.1386 0.4812 0.4812 0.5390 0.5390 0.5645 0.5645 0.6773 0.6773 0.7190 0.7190 0.8300 0.8300 1.0638 1.0638 1.1089 1.1089 9.6167 9.6167 10.2520 10.2520 10.6470 10.6470 11.0677 11.0677 k = 0.0100 0.5000 0.0100 ( 3546 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2756 -18.2756 -17.8510 -17.8510 -17.7697 -17.7697 -15.3853 -15.3853 -15.1112 -15.1112 -14.4634 -14.4634 -8.9819 -8.9819 -8.7237 -8.7237 -8.7050 -8.7050 -0.1385 -0.1385 0.4890 0.4890 0.5399 0.5399 0.5652 0.5652 0.6813 0.6813 0.7179 0.7179 0.8199 0.8199 1.0667 1.0667 1.1117 1.1117 9.6113 9.6113 10.2476 10.2476 10.6455 10.6455 11.0685 11.0685 k = 0.0000 0.5000-0.0000 ( 3546 PWs) bands (ev): -34.0812 -34.0812 -25.3404 -25.3404 -18.2756 -18.2756 -17.8505 -17.8505 -17.7691 -17.7691 -15.3861 -15.3861 -15.1121 -15.1121 -14.4635 -14.4635 -8.9819 -8.9819 -8.7237 -8.7237 -8.7050 -8.7050 -0.1384 -0.1384 0.4918 0.4918 0.5401 0.5401 0.5655 0.5655 0.6817 0.6817 0.7187 0.7187 0.8161 0.8161 1.0676 1.0676 1.1127 1.1127 9.6095 9.6095 10.2462 10.2462 10.6450 10.6450 11.0688 11.0688 k = 0.5000 0.5000-0.0000 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2911 -18.2911 -18.2622 -18.2622 -17.8055 -17.8055 -15.2696 -15.2696 -14.5630 -14.5630 -14.3781 -14.3781 -8.9991 -8.9991 -8.7499 -8.7499 -8.7105 -8.7105 -0.2767 -0.2767 -0.1307 -0.1307 0.0091 0.0091 0.6399 0.6399 0.6410 0.6410 0.7319 0.7319 0.7714 0.7714 0.8659 0.8659 1.3141 1.3141 10.5784 10.5784 10.8529 10.8529 10.8591 10.8591 10.8696 10.8696 k = 0.5000 0.5000 0.0139 ( 3556 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2911 -18.2911 -18.2621 -18.2621 -17.8066 -17.8066 -15.2681 -15.2681 -14.5629 -14.5629 -14.3781 -14.3781 -8.9992 -8.9992 -8.7499 -8.7499 -8.7106 -8.7106 -0.2768 -0.2768 -0.1304 -0.1304 0.0091 0.0091 0.6322 0.6322 0.6352 0.6352 0.7394 0.7394 0.7771 0.7771 0.8641 0.8641 1.3141 1.3141 10.5795 10.5795 10.8534 10.8534 10.8596 10.8596 10.8704 10.8704 k = 0.5000 0.5000 0.0278 ( 3548 PWs) bands (ev): -34.0760 -34.0760 -25.3371 -25.3371 -18.2911 -18.2911 -18.2621 -18.2621 -17.8099 -17.8099 -15.2634 -15.2634 -14.5627 -14.5627 -14.3781 -14.3781 -8.9994 -8.9994 -8.7500 -8.7500 -8.7110 -8.7110 -0.2768 -0.2768 -0.1294 -0.1294 0.0091 0.0091 0.6139 0.6139 0.6202 0.6202 0.7570 0.7570 0.7921 0.7921 0.8590 0.8590 1.3142 1.3142 10.5828 10.5828 10.8551 10.8551 10.8613 10.8613 10.8728 10.8728 k = 0.5000 0.5000 0.0417 ( 3552 PWs) bands (ev): -34.0759 -34.0759 -25.3370 -25.3370 -18.2910 -18.2910 -18.2621 -18.2621 -17.8154 -17.8154 -15.2559 -15.2559 -14.5622 -14.5622 -14.3781 -14.3781 -8.9997 -8.9997 -8.7502 -8.7502 -8.7116 -8.7116 -0.2770 -0.2770 -0.1278 -0.1278 0.0092 0.0092 0.5910 0.5910 0.5998 0.5998 0.7782 0.7782 0.8122 0.8122 0.8510 0.8510 1.3143 1.3143 10.5883 10.5883 10.8580 10.8580 10.8641 10.8641 10.8767 10.8767 k = 0.5000 0.5000 0.0556 ( 3560 PWs) bands (ev): -34.0758 -34.0758 -25.3370 -25.3370 -18.2910 -18.2910 -18.2620 -18.2620 -17.8229 -17.8229 -15.2455 -15.2455 -14.5616 -14.5616 -14.3781 -14.3781 -9.0001 -9.0001 -8.7505 -8.7505 -8.7124 -8.7124 -0.2772 -0.2772 -0.1255 -0.1255 0.0093 0.0093 0.5661 0.5661 0.5767 0.5767 0.7979 0.7979 0.8350 0.8350 0.8426 0.8426 1.3144 1.3144 10.5960 10.5960 10.8618 10.8618 10.8678 10.8678 10.8820 10.8820 k = 0.5000 0.5000 0.0694 ( 3560 PWs) bands (ev): -34.0757 -34.0757 -25.3370 -25.3370 -18.2909 -18.2909 -18.2619 -18.2619 -17.8324 -17.8324 -15.2323 -15.2323 -14.5607 -14.5607 -14.3780 -14.3780 -9.0006 -9.0006 -8.7508 -8.7508 -8.7135 -8.7135 -0.2774 -0.2774 -0.1226 -0.1226 0.0094 0.0094 0.5404 0.5404 0.5521 0.5521 0.8039 0.8039 0.8453 0.8453 0.8592 0.8592 1.3146 1.3146 10.6058 10.6058 10.8667 10.8667 10.8727 10.8727 10.8887 10.8887 k = 0.5000 0.5000 0.0833 ( 3568 PWs) bands (ev): -34.0756 -34.0756 -25.3369 -25.3369 -18.2908 -18.2908 -18.2618 -18.2618 -17.8438 -17.8438 -15.2166 -15.2166 -14.5597 -14.5597 -14.3780 -14.3780 -9.0013 -9.0013 -8.7512 -8.7512 -8.7147 -8.7147 -0.2778 -0.2778 -0.1191 -0.1191 0.0096 0.0096 0.5143 0.5143 0.5269 0.5269 0.7904 0.7904 0.8642 0.8642 0.8839 0.8839 1.3148 1.3148 10.6178 10.6178 10.8726 10.8726 10.8786 10.8786 10.8966 10.8966 k = 0.5000 0.5000 0.0972 ( 3564 PWs) bands (ev): -34.0755 -34.0755 -25.3368 -25.3368 -18.2907 -18.2907 -18.2617 -18.2617 -17.8568 -17.8568 -15.1985 -15.1985 -14.5584 -14.5584 -14.3779 -14.3779 -9.0021 -9.0021 -8.7517 -8.7517 -8.7162 -8.7162 -0.2782 -0.2782 -0.1150 -0.1150 0.0097 0.0097 0.4883 0.4883 0.5014 0.5014 0.7691 0.7691 0.8877 0.8877 0.9089 0.9089 1.3151 1.3151 10.6319 10.6319 10.8794 10.8794 10.8854 10.8854 10.9055 10.9055 k = 0.5000 0.5000 0.1111 ( 3564 PWs) bands (ev): -34.0754 -34.0754 -25.3368 -25.3368 -18.2906 -18.2906 -18.2615 -18.2615 -17.8714 -17.8714 -15.1783 -15.1783 -14.5569 -14.5569 -14.3778 -14.3778 -9.0029 -9.0029 -8.7523 -8.7523 -8.7178 -8.7178 -0.2787 -0.2787 -0.1104 -0.1104 0.0100 0.0100 0.4623 0.4623 0.4759 0.4759 0.7437 0.7437 0.9122 0.9122 0.9339 0.9339 1.3153 1.3153 10.6480 10.6480 10.8871 10.8871 10.8931 10.8931 10.9152 10.9152 k = 0.5000 0.5000 0.1250 ( 3580 PWs) bands (ev): -34.0752 -34.0752 -25.3367 -25.3367 -18.2905 -18.2905 -18.2614 -18.2614 -17.8873 -17.8873 -15.1562 -15.1562 -14.5551 -14.5551 -14.3778 -14.3778 -9.0039 -9.0039 -8.7529 -8.7529 -8.7197 -8.7197 -0.2794 -0.2794 -0.1053 -0.1053 0.0102 0.0102 0.4366 0.4366 0.4505 0.4505 0.7153 0.7153 0.9368 0.9368 0.9586 0.9586 1.3157 1.3157 10.6662 10.6662 10.8955 10.8955 10.9015 10.9015 10.9256 10.9256 k = 0.5000 0.5000 0.1389 ( 3572 PWs) bands (ev): -34.0751 -34.0751 -25.3366 -25.3366 -18.2904 -18.2904 -18.2612 -18.2612 -17.9044 -17.9044 -15.1324 -15.1324 -14.5530 -14.5530 -14.3777 -14.3777 -9.0050 -9.0050 -8.7535 -8.7535 -8.7216 -8.7216 -0.2801 -0.2801 -0.0997 -0.0997 0.0105 0.0105 0.4113 0.4113 0.4254 0.4254 0.6842 0.6842 0.9611 0.9611 0.9830 0.9830 1.3160 1.3160 10.6863 10.6863 10.9048 10.9048 10.9108 10.9108 10.9365 10.9365 k = 0.5000 0.5000 0.1528 ( 3572 PWs) bands (ev): -34.0749 -34.0749 -25.3365 -25.3365 -18.2902 -18.2902 -18.2610 -18.2610 -17.9225 -17.9225 -15.1073 -15.1073 -14.5506 -14.5506 -14.3776 -14.3776 -9.0061 -9.0061 -8.7542 -8.7542 -8.7238 -8.7238 -0.2811 -0.2811 -0.0937 -0.0937 0.0108 0.0108 0.3863 0.3863 0.4007 0.4007 0.6509 0.6509 0.9851 0.9851 1.0069 1.0069 1.3164 1.3164 10.7084 10.7084 10.9146 10.9146 10.9206 10.9206 10.9476 10.9476 k = 0.5000 0.5000 0.1667 ( 3580 PWs) bands (ev): -34.0747 -34.0747 -25.3364 -25.3364 -18.2901 -18.2901 -18.2608 -18.2608 -17.9413 -17.9413 -15.0812 -15.0812 -14.5478 -14.5478 -14.3775 -14.3775 -9.0074 -9.0074 -8.7550 -8.7550 -8.7260 -8.7260 -0.2822 -0.2822 -0.0874 -0.0874 0.0112 0.0112 0.3619 0.3619 0.3764 0.3764 0.6158 0.6158 1.0085 1.0085 1.0304 1.0304 1.3168 1.3168 10.7323 10.7323 10.9250 10.9250 10.9310 10.9310 10.9589 10.9589 k = 0.5000 0.5000 0.1806 ( 3564 PWs) bands (ev): -34.0745 -34.0745 -25.3363 -25.3363 -18.2899 -18.2899 -18.2605 -18.2605 -17.9608 -17.9608 -15.0543 -15.0543 -14.5446 -14.5446 -14.3773 -14.3773 -9.0086 -9.0086 -8.7557 -8.7557 -8.7284 -8.7284 -0.2836 -0.2836 -0.0808 -0.0808 0.0116 0.0116 0.3380 0.3380 0.3527 0.3527 0.5792 0.5792 1.0314 1.0314 1.0533 1.0533 1.3173 1.3173 10.7580 10.7580 10.9358 10.9358 10.9420 10.9420 10.9701 10.9701 k = 0.5000 0.5000 0.1944 ( 3564 PWs) bands (ev): -34.0743 -34.0743 -25.3362 -25.3362 -18.2898 -18.2898 -18.2603 -18.2603 -17.9807 -17.9807 -15.0269 -15.0269 -14.5409 -14.5409 -14.3772 -14.3772 -9.0100 -9.0100 -8.7566 -8.7566 -8.7308 -8.7308 -0.2851 -0.2851 -0.0739 -0.0739 0.0120 0.0120 0.3147 0.3147 0.3295 0.3295 0.5414 0.5414 1.0537 1.0537 1.0755 1.0755 1.3178 1.3178 10.7854 10.7854 10.9469 10.9469 10.9531 10.9531 10.9810 10.9810 k = 0.5000 0.5000 0.2083 ( 3576 PWs) bands (ev): -34.0741 -34.0741 -25.3361 -25.3361 -18.2896 -18.2896 -18.2601 -18.2601 -18.0008 -18.0008 -14.9994 -14.9994 -14.5367 -14.5367 -14.3771 -14.3771 -9.0114 -9.0114 -8.7574 -8.7574 -8.7334 -8.7334 -0.2870 -0.2870 -0.0669 -0.0669 0.0125 0.0125 0.2921 0.2921 0.3070 0.3070 0.5029 0.5029 1.0752 1.0752 1.0971 1.0971 1.3182 1.3182 10.8144 10.8144 10.9582 10.9582 10.9645 10.9645 10.9917 10.9917 k = 0.5000 0.5000 0.2222 ( 3576 PWs) bands (ev): -34.0738 -34.0738 -25.3360 -25.3360 -18.2895 -18.2895 -18.2598 -18.2598 -18.0211 -18.0211 -14.9721 -14.9721 -14.5320 -14.5320 -14.3770 -14.3770 -9.0128 -9.0128 -8.7583 -8.7583 -8.7359 -8.7359 -0.2892 -0.2892 -0.0598 -0.0598 0.0131 0.0131 0.2701 0.2701 0.2852 0.2852 0.4640 0.4640 1.0960 1.0960 1.1179 1.1179 1.3187 1.3187 10.8450 10.8450 10.9696 10.9696 10.9760 10.9760 11.0019 11.0019 k = 0.5000 0.5000 0.2361 ( 3560 PWs) bands (ev): -34.0736 -34.0736 -25.3358 -25.3358 -18.2894 -18.2894 -18.2595 -18.2595 -18.0412 -18.0412 -14.9452 -14.9452 -14.5266 -14.5266 -14.3768 -14.3768 -9.0143 -9.0143 -8.7591 -8.7591 -8.7385 -8.7385 -0.2917 -0.2917 -0.0526 -0.0526 0.0138 0.0138 0.2489 0.2489 0.2642 0.2642 0.4251 0.4251 1.1161 1.1161 1.1380 1.1380 1.3193 1.3193 10.8770 10.8770 10.9810 10.9810 10.9875 10.9875 11.0116 11.0116 k = 0.5000 0.5000 0.2500 ( 3556 PWs) bands (ev): -34.0734 -34.0734 -25.3357 -25.3357 -18.2893 -18.2893 -18.2593 -18.2593 -18.0611 -18.0611 -14.9191 -14.9191 -14.5204 -14.5204 -14.3767 -14.3767 -9.0158 -9.0158 -8.7600 -8.7600 -8.7411 -8.7411 -0.2947 -0.2947 -0.0455 -0.0455 0.0146 0.0146 0.2284 0.2284 0.2440 0.2440 0.3865 0.3865 1.1353 1.1353 1.1573 1.1573 1.3198 1.3198 10.9104 10.9104 10.9922 10.9922 10.9988 10.9988 11.0206 11.0206 k = 0.5000 0.5000 0.2639 ( 3564 PWs) bands (ev): -34.0732 -34.0732 -25.3356 -25.3356 -18.2892 -18.2892 -18.2591 -18.2591 -18.0806 -18.0806 -14.8941 -14.8941 -14.5136 -14.5136 -14.3766 -14.3766 -9.0173 -9.0173 -8.7609 -8.7609 -8.7437 -8.7437 -0.2981 -0.2981 -0.0386 -0.0386 0.0155 0.0155 0.2087 0.2087 0.2246 0.2246 0.3487 0.3487 1.1536 1.1536 1.1756 1.1756 1.3204 1.3204 10.9448 10.9448 11.0031 11.0031 11.0098 11.0098 11.0291 11.0291 k = 0.5000 0.5000 0.2778 ( 3556 PWs) bands (ev): -34.0729 -34.0729 -25.3355 -25.3355 -18.2892 -18.2892 -18.2588 -18.2588 -18.0996 -18.0996 -14.8704 -14.8704 -14.5059 -14.5059 -14.3764 -14.3764 -9.0188 -9.0188 -8.7618 -8.7618 -8.7463 -8.7463 -0.3020 -0.3020 -0.0319 -0.0319 0.0167 0.0167 0.1898 0.1898 0.2062 0.2062 0.3120 0.3120 1.1710 1.1710 1.1932 1.1932 1.3210 1.3210 10.9802 10.9802 11.0135 11.0135 11.0207 11.0207 11.0369 11.0369 k = 0.5000 0.5000 0.2917 ( 3556 PWs) bands (ev): -34.0727 -34.0727 -25.3354 -25.3354 -18.2892 -18.2892 -18.2586 -18.2586 -18.1180 -18.1180 -14.8483 -14.8483 -14.4974 -14.4974 -14.3763 -14.3763 -9.0202 -9.0202 -8.7626 -8.7626 -8.7488 -8.7488 -0.3064 -0.3064 -0.0257 -0.0257 0.0181 0.0181 0.1717 0.1717 0.1887 0.1887 0.2768 0.2768 1.1874 1.1874 1.2097 1.2097 1.3216 1.3216 11.0156 11.0156 11.0234 11.0234 11.0318 11.0318 11.0440 11.0440 k = 0.5000 0.5000 0.3056 ( 3564 PWs) bands (ev): -34.0725 -34.0725 -25.3353 -25.3353 -18.2892 -18.2892 -18.2583 -18.2583 -18.1356 -18.1356 -14.8279 -14.8279 -14.4882 -14.4882 -14.3762 -14.3762 -9.0217 -9.0217 -8.7635 -8.7635 -8.7512 -8.7512 -0.3114 -0.3114 -0.0200 -0.0200 0.0198 0.0198 0.1543 0.1543 0.1722 0.1722 0.2434 0.2434 1.2029 1.2029 1.2254 1.2254 1.3222 1.3222 11.0326 11.0326 11.0376 11.0376 11.0505 11.0505 11.0564 11.0564 k = 0.5000 0.5000 0.3194 ( 3564 PWs) bands (ev): -34.0723 -34.0723 -25.3351 -25.3351 -18.2893 -18.2893 -18.2581 -18.2581 -18.1524 -18.1524 -14.8093 -14.8093 -14.4782 -14.4782 -14.3761 -14.3761 -9.0231 -9.0231 -8.7643 -8.7643 -8.7536 -8.7536 -0.3169 -0.3169 -0.0149 -0.0149 0.0220 0.0220 0.1377 0.1377 0.1567 0.1567 0.2123 0.2123 1.2174 1.2174 1.2400 1.2400 1.3228 1.3228 11.0409 11.0409 11.0471 11.0471 11.0563 11.0563 11.0933 11.0933 k = 0.5000 0.5000 0.3333 ( 3544 PWs) bands (ev): -34.0721 -34.0721 -25.3350 -25.3350 -18.2895 -18.2895 -18.2578 -18.2578 -18.1681 -18.1681 -14.7926 -14.7926 -14.4676 -14.4676 -14.3759 -14.3759 -9.0244 -9.0244 -8.7651 -8.7651 -8.7558 -8.7558 -0.3230 -0.3230 -0.0106 -0.0106 0.0246 0.0246 0.1217 0.1217 0.1422 0.1422 0.1839 0.1839 1.2308 1.2308 1.2537 1.2537 1.3235 1.3235 11.0485 11.0485 11.0550 11.0550 11.0616 11.0616 11.1313 11.1313 k = 0.5000 0.5000 0.3472 ( 3552 PWs) bands (ev): -34.0719 -34.0719 -25.3349 -25.3349 -18.2898 -18.2898 -18.2576 -18.2576 -18.1828 -18.1828 -14.7779 -14.7779 -14.4567 -14.4567 -14.3758 -14.3758 -9.0257 -9.0257 -8.7658 -8.7658 -8.7580 -8.7580 -0.3295 -0.3295 -0.0071 -0.0071 0.0277 0.0277 0.1061 0.1061 0.1289 0.1289 0.1584 0.1584 1.2431 1.2431 1.2663 1.2663 1.3242 1.3242 11.0550 11.0550 11.0619 11.0619 11.0663 11.0663 11.1694 11.1694 k = 0.5000 0.5000 0.3611 ( 3544 PWs) bands (ev): -34.0717 -34.0717 -25.3348 -25.3348 -18.2903 -18.2903 -18.2574 -18.2574 -18.1963 -18.1963 -14.7650 -14.7650 -14.4455 -14.4455 -14.3757 -14.3757 -9.0269 -9.0269 -8.7665 -8.7665 -8.7599 -8.7599 -0.3365 -0.3365 -0.0044 -0.0044 0.0311 0.0311 0.0909 0.0909 0.1166 0.1166 0.1362 0.1362 1.2544 1.2544 1.2780 1.2780 1.3250 1.3250 11.0607 11.0607 11.0678 11.0678 11.0705 11.0705 11.2074 11.2074 k = 0.5000 0.5000 0.3750 ( 3552 PWs) bands (ev): -34.0715 -34.0715 -25.3348 -25.3348 -18.2908 -18.2908 -18.2573 -18.2573 -18.2085 -18.2085 -14.7539 -14.7539 -14.4344 -14.4344 -14.3757 -14.3757 -9.0281 -9.0281 -8.7672 -8.7672 -8.7618 -8.7618 -0.3437 -0.3437 -0.0024 -0.0024 0.0347 0.0347 0.0760 0.0760 0.1055 0.1055 0.1174 0.1174 1.2644 1.2644 1.2885 1.2885 1.3259 1.3259 11.0653 11.0653 11.0727 11.0727 11.0742 11.0742 11.2447 11.2447 k = 0.5000 0.5000 0.3889 ( 3544 PWs) bands (ev): -34.0714 -34.0714 -25.3347 -25.3347 -18.2916 -18.2916 -18.2571 -18.2571 -18.2194 -18.2194 -14.7445 -14.7445 -14.4236 -14.4236 -14.3756 -14.3756 -9.0291 -9.0291 -8.7678 -8.7678 -8.7635 -8.7635 -0.3510 -0.3510 -0.0009 -0.0009 0.0383 0.0383 0.0616 0.0616 0.0955 0.0955 0.1019 0.1019 1.2733 1.2733 1.2980 1.2980 1.3268 1.3268 11.0691 11.0691 11.0768 11.0768 11.0774 11.0774 11.2810 11.2810 k = 0.5000 0.5000 0.4028 ( 3552 PWs) bands (ev): -34.0712 -34.0712 -25.3346 -25.3346 -18.2925 -18.2925 -18.2569 -18.2569 -18.2288 -18.2288 -14.7365 -14.7365 -14.4134 -14.4134 -14.3755 -14.3755 -9.0301 -9.0301 -8.7683 -8.7683 -8.7650 -8.7650 -0.3583 -0.3583 0.0002 0.0002 0.0418 0.0418 0.0482 0.0482 0.0867 0.0867 0.0893 0.0893 1.2810 1.2810 1.3064 1.3064 1.3278 1.3278 11.0721 11.0721 11.0800 11.0800 11.0801 11.0801 11.3157 11.3157 k = 0.5000 0.5000 0.4167 ( 3552 PWs) bands (ev): -34.0711 -34.0711 -25.3345 -25.3345 -18.2936 -18.2936 -18.2568 -18.2568 -18.2367 -18.2367 -14.7300 -14.7300 -14.4039 -14.4039 -14.3754 -14.3754 -9.0309 -9.0309 -8.7688 -8.7688 -8.7664 -8.7664 -0.3652 -0.3652 0.0009 0.0009 0.0361 0.0361 0.0449 0.0449 0.0790 0.0790 0.0792 0.0792 1.2875 1.2875 1.3137 1.3137 1.3289 1.3289 11.0744 11.0744 11.0823 11.0823 11.0825 11.0825 11.3483 11.3483 k = 0.5000 0.5000 0.4306 ( 3564 PWs) bands (ev): -34.0710 -34.0710 -25.3345 -25.3345 -18.2949 -18.2949 -18.2567 -18.2567 -18.2432 -18.2432 -14.7246 -14.7246 -14.3956 -14.3956 -14.3754 -14.3754 -9.0317 -9.0317 -8.7692 -8.7692 -8.7676 -8.7676 -0.3716 -0.3716 0.0015 0.0015 0.0257 0.0257 0.0477 0.0477 0.0707 0.0707 0.0728 0.0728 1.2927 1.2927 1.3199 1.3199 1.3301 1.3301 11.0762 11.0762 11.0840 11.0840 11.0843 11.0843 11.3779 11.3779 k = 0.5000 0.5000 0.4444 ( 3556 PWs) bands (ev): -34.0709 -34.0709 -25.3344 -25.3344 -18.2962 -18.2962 -18.2566 -18.2566 -18.2482 -18.2482 -14.7204 -14.7204 -14.3885 -14.3885 -14.3753 -14.3753 -9.0323 -9.0323 -8.7696 -8.7696 -8.7685 -8.7685 -0.3772 -0.3772 0.0018 0.0018 0.0172 0.0172 0.0500 0.0500 0.0642 0.0642 0.0678 0.0678 1.2968 1.2968 1.3250 1.3250 1.3313 1.3313 11.0775 11.0775 11.0854 11.0854 11.0856 11.0856 11.4038 11.4038 k = 0.5000 0.5000 0.4583 ( 3544 PWs) bands (ev): -34.0709 -34.0709 -25.3344 -25.3344 -18.2974 -18.2974 -18.2565 -18.2565 -18.2519 -18.2519 -14.7172 -14.7172 -14.3828 -14.3828 -14.3753 -14.3753 -9.0327 -9.0327 -8.7698 -8.7698 -8.7692 -8.7692 -0.3818 -0.3818 0.0020 0.0020 0.0106 0.0106 0.0517 0.0517 0.0593 0.0593 0.0641 0.0641 1.2998 1.2998 1.3289 1.3289 1.3324 1.3324 11.0785 11.0785 11.0864 11.0864 11.0866 11.0866 11.4251 11.4251 k = 0.5000 0.5000 0.4722 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3344 -25.3344 -18.2985 -18.2985 -18.2564 -18.2564 -18.2545 -18.2545 -14.7150 -14.7150 -14.3786 -14.3786 -14.3753 -14.3753 -9.0331 -9.0331 -8.7700 -8.7700 -8.7697 -8.7697 -0.3852 -0.3852 0.0021 0.0021 0.0059 0.0059 0.0526 0.0526 0.0558 0.0558 0.0617 0.0617 1.3019 1.3019 1.3318 1.3318 1.3333 1.3333 11.0791 11.0791 11.0870 11.0870 11.0871 11.0871 11.4407 11.4407 k = 0.5000 0.5000 0.4861 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3344 -25.3344 -18.2992 -18.2992 -18.2564 -18.2564 -18.2559 -18.2559 -14.7137 -14.7137 -14.3761 -14.3761 -14.3752 -14.3752 -9.0333 -9.0333 -8.7701 -8.7701 -8.7701 -8.7701 -0.3873 -0.3873 0.0021 0.0021 0.0031 0.0031 0.0529 0.0529 0.0537 0.0537 0.0605 0.0605 1.3031 1.3031 1.3335 1.3335 1.3338 1.3338 11.0795 11.0795 11.0874 11.0874 11.0874 11.0874 11.4495 11.4495 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -34.0708 -34.0708 -25.3343 -25.3343 -18.2994 -18.2994 -18.2564 -18.2564 -18.2564 -18.2564 -14.7132 -14.7132 -14.3752 -14.3752 -14.3752 -14.3752 -9.0333 -9.0333 -8.7702 -8.7702 -8.7702 -8.7702 -0.3880 -0.3880 0.0022 0.0022 0.0022 0.0022 0.0530 0.0530 0.0530 0.0530 0.0602 0.0602 1.3034 1.3034 1.3340 1.3340 1.3340 1.3340 11.0796 11.0796 11.0875 11.0875 11.0875 11.0875 11.4519 11.4519 Writing output data file KCaF3.save init_run : 0.23s CPU 0.46s WALL ( 1 calls) electrons : 120.51s CPU 123.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 120.50s CPU 123.36s 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 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 276 calls) cegterg : 112.16s CPU 113.92s WALL ( 394 calls) Called by sum_band: Called by *egterg: h_psi : 61.19s CPU 62.40s WALL ( 6523 calls) s_psi : 2.68s CPU 2.75s WALL ( 6523 calls) g_psi : 0.16s CPU 0.16s WALL ( 5853 calls) cdiaghg : 43.97s CPU 44.47s WALL ( 6129 calls) cegterg:over : 4.00s CPU 4.04s WALL ( 5853 calls) cegterg:upda : 3.44s CPU 3.45s WALL ( 5853 calls) cegterg:last : 1.62s CPU 1.70s WALL ( 989 calls) cdiaghg:chol : 2.47s CPU 2.48s WALL ( 6129 calls) cdiaghg:inve : 1.65s CPU 1.69s WALL ( 6129 calls) cdiaghg:para : 2.69s CPU 2.65s WALL ( 12258 calls) Called by h_psi: h_psi:vloc : 54.71s CPU 55.85s WALL ( 6523 calls) h_psi:vnl : 6.30s CPU 6.40s WALL ( 6523 calls) add_vuspsi : 3.15s CPU 3.19s WALL ( 6523 calls) General routines calbec : 3.12s CPU 3.19s WALL ( 6523 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.62s CPU 52.65s WALL ( 632552 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 552 calls) Parallel routines fft_scatter : 20.76s CPU 21.40s WALL ( 632575 calls) PWSCF : 2m12.77s CPU 2m33.47s WALL This run was terminated on: 16:41:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=