Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:43:59 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: ./KCdF3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized 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 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 94 29 9 4148 722 119 Max 95 30 10 4153 730 123 Sum 3397 1069 325 149397 26145 4337 bravais-lattice index = 14 lattice parameter (alat) = 8.1825 a.u. unit-cell volume = 547.8481 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.182514 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 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 atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 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= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0035211 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0035211 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0035211 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0035211 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0035211 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0035211 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0035211 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0035211 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0035211 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0035211 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0035211 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0035211 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0035211 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0035211 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0035211 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0035211 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0035211 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0035211 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0035211 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0035211 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0035211 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0035211 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0035211 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0035211 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0035211 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0035211 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0035211 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0035211 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0035211 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0035211 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0035211 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0035211 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0035211 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0035211 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035211 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035211 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0035211 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0035211 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0035211 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0035211 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0035211 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0035211 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0035211 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0035211 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0035211 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0035211 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0035211 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0035211 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0035211 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0035211 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0035211 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0035211 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0035211 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0035211 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0035211 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0035211 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0035211 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0035211 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0035211 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0035211 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0035211 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0035211 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0035211 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0035211 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0035211 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0035211 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0035211 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0035211 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0035211 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0035211 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0035211 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0035211 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035211 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035211 k( 78) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0035211 k( 79) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0035211 k( 80) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0035211 k( 81) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0035211 k( 82) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0035211 k( 83) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0035211 k( 84) = ( 0.4326923 0.4326923 -0.0000000), wk = 0.0035211 k( 85) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0035211 k( 86) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0035211 k( 87) = ( 0.4038462 0.4038461 -0.0000000), wk = 0.0035211 k( 88) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0035211 k( 89) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0035211 k( 90) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0035211 k( 91) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0035211 k( 92) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0035211 k( 93) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0035211 k( 94) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0035211 k( 95) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0035211 k( 96) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0035211 k( 97) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0035211 k( 98) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0035211 k( 99) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0035211 k( 100) = ( 0.2788462 0.2788461 -0.0000000), wk = 0.0035211 k( 101) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0035211 k( 102) = ( 0.2596154 0.2596154 -0.0000000), wk = 0.0035211 k( 103) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035211 k( 104) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0035211 k( 105) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0035211 k( 106) = ( 0.2211539 0.2211538 -0.0000000), wk = 0.0035211 k( 107) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0035211 k( 108) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0035211 k( 109) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0035211 k( 110) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0035211 k( 111) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0035211 k( 112) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0035211 k( 113) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0035211 k( 114) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0035211 k( 115) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0035211 k( 116) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0035211 k( 117) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0035211 k( 118) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0035211 k( 119) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0035211 k( 120) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0035211 k( 121) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0035211 k( 122) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0035211 k( 123) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0035211 k( 124) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0035211 k( 125) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0035211 k( 126) = ( 0.0288462 0.0288461 -0.0000000), wk = 0.0035211 k( 127) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0035211 k( 128) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 131) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0035211 k( 132) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0035211 k( 133) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0035211 k( 134) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0035211 k( 135) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0035211 k( 136) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0035211 k( 137) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0035211 k( 138) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0035211 k( 139) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035211 k( 140) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0035211 k( 141) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0035211 k( 142) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0035211 k( 143) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0035211 k( 144) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0035211 k( 145) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0035211 k( 146) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0035211 k( 147) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0035211 k( 148) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035211 k( 149) = ( 0.1507937 0.1507936 0.1507936), wk = 0.0035211 k( 150) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0035211 k( 151) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035211 k( 152) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0035211 k( 153) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0035211 k( 154) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0035211 k( 155) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0035211 k( 156) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0035211 k( 157) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035211 k( 158) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0035211 k( 159) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0035211 k( 160) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0035211 k( 161) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0035211 k( 162) = ( 0.2539683 0.2539683 0.2539682), wk = 0.0035211 k( 163) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0035211 k( 164) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0035211 k( 165) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0035211 k( 166) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035211 k( 167) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0035211 k( 168) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0035211 k( 169) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0035211 k( 170) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0035211 k( 171) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0035211 k( 172) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035211 k( 173) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0035211 k( 174) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0035211 k( 175) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035211 k( 176) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0035211 k( 177) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0035211 k( 178) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0035211 k( 179) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0035211 k( 180) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0035211 k( 181) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0035211 k( 182) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0035211 k( 183) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0035211 k( 184) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035211 k( 185) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0035211 k( 186) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0035211 k( 187) = ( 0.4523810 0.4523809 0.4523809), wk = 0.0035211 k( 188) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0035211 k( 189) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0035211 k( 190) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0035211 k( 191) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0035211 k( 192) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0035211 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 195) = ( 0.4903846 0.5000000 0.4903846), wk = 0.0035211 k( 196) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0035211 k( 197) = ( 0.4711538 0.5000000 0.4711538), wk = 0.0035211 k( 198) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0035211 k( 199) = ( 0.4519231 0.5000000 0.4519231), wk = 0.0035211 k( 200) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0035211 k( 201) = ( 0.4326923 0.5000000 0.4326923), wk = 0.0035211 k( 202) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0035211 k( 203) = ( 0.4134615 0.5000000 0.4134615), wk = 0.0035211 k( 204) = ( 0.4038462 0.5000000 0.4038461), wk = 0.0035211 k( 205) = ( 0.3942308 0.5000000 0.3942308), wk = 0.0035211 k( 206) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0035211 k( 207) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0035211 k( 208) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0035211 k( 209) = ( 0.3557692 0.5000000 0.3557692), wk = 0.0035211 k( 210) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0035211 k( 211) = ( 0.3365385 0.5000000 0.3365385), wk = 0.0035211 k( 212) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0035211 k( 213) = ( 0.3173077 0.5000000 0.3173077), wk = 0.0035211 k( 214) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0035211 k( 215) = ( 0.2980769 0.5000000 0.2980769), wk = 0.0035211 k( 216) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0035211 k( 217) = ( 0.2788462 0.5000000 0.2788461), wk = 0.0035211 k( 218) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0035211 k( 219) = ( 0.2596154 0.5000000 0.2596154), wk = 0.0035211 k( 220) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0035211 k( 221) = ( 0.2403846 0.5000000 0.2403846), wk = 0.0035211 k( 222) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0035211 k( 223) = ( 0.2211539 0.5000000 0.2211538), wk = 0.0035211 k( 224) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0035211 k( 225) = ( 0.2019231 0.5000000 0.2019231), wk = 0.0035211 k( 226) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0035211 k( 227) = ( 0.1826923 0.5000000 0.1826923), wk = 0.0035211 k( 228) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0035211 k( 229) = ( 0.1634615 0.5000000 0.1634615), wk = 0.0035211 k( 230) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0035211 k( 231) = ( 0.1442308 0.5000000 0.1442308), wk = 0.0035211 k( 232) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0035211 k( 233) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0035211 k( 234) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0035211 k( 235) = ( 0.1057692 0.5000000 0.1057692), wk = 0.0035211 k( 236) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0035211 k( 237) = ( 0.0865385 0.5000000 0.0865385), wk = 0.0035211 k( 238) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0035211 k( 239) = ( 0.0673077 0.5000000 0.0673077), wk = 0.0035211 k( 240) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0035211 k( 241) = ( 0.0480769 0.5000000 0.0480769), wk = 0.0035211 k( 242) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0035211 k( 243) = ( 0.0288462 0.5000000 0.0288461), wk = 0.0035211 k( 244) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0035211 k( 245) = ( 0.0096154 0.5000000 0.0096154), wk = 0.0035211 k( 246) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035211 k( 247) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035211 k( 248) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0035211 k( 249) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0035211 k( 250) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0035211 k( 251) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0035211 k( 252) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0035211 k( 253) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0035211 k( 254) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0035211 k( 255) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0035211 k( 256) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0035211 k( 257) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0035211 k( 258) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0035211 k( 259) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0035211 k( 260) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0035211 k( 261) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0035211 k( 262) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0035211 k( 263) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0035211 k( 264) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0035211 k( 265) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0035211 k( 266) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0035211 k( 267) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0035211 k( 268) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0035211 k( 269) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0035211 k( 270) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0035211 k( 271) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0035211 k( 272) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0035211 k( 273) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0035211 k( 274) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0035211 k( 275) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0035211 k( 276) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0035211 k( 277) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0035211 k( 278) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0035211 k( 279) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0035211 k( 280) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0035211 k( 281) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0035211 k( 282) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0035211 k( 283) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0035211 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0035211 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0035211 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0035211 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0035211 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0035211 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0035211 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0035211 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0035211 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0035211 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0035211 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0035211 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0035211 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0035211 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0035211 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0035211 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0035211 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0035211 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0035211 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0035211 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0035211 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0035211 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0035211 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0035211 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0035211 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0035211 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0035211 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0035211 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0035211 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0035211 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0035211 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0035211 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0035211 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0035211 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0035211 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0035211 k( 37) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0035211 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035211 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035211 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0035211 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0035211 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0035211 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0035211 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0035211 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0035211 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0035211 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0035211 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0035211 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0035211 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0035211 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0035211 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0035211 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0035211 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0035211 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0035211 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0035211 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0035211 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0035211 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0035211 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0035211 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0035211 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0035211 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0035211 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0035211 k( 65) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0035211 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0035211 k( 67) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0035211 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0035211 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0035211 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0035211 k( 71) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0035211 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0035211 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0035211 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0035211 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0035211 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 78) = ( 0.4903846 0.4903846 0.0000000), wk = 0.0035211 k( 79) = ( 0.4807692 0.4807692 0.0000000), wk = 0.0035211 k( 80) = ( 0.4711538 0.4711538 0.0000000), wk = 0.0035211 k( 81) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0035211 k( 82) = ( 0.4519231 0.4519231 0.0000000), wk = 0.0035211 k( 83) = ( 0.4423077 0.4423077 0.0000000), wk = 0.0035211 k( 84) = ( 0.4326923 0.4326923 0.0000000), wk = 0.0035211 k( 85) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0035211 k( 86) = ( 0.4134615 0.4134615 0.0000000), wk = 0.0035211 k( 87) = ( 0.4038462 0.4038462 0.0000000), wk = 0.0035211 k( 88) = ( 0.3942308 0.3942308 0.0000000), wk = 0.0035211 k( 89) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0035211 k( 90) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0035211 k( 91) = ( 0.3653846 0.3653846 0.0000000), wk = 0.0035211 k( 92) = ( 0.3557692 0.3557692 0.0000000), wk = 0.0035211 k( 93) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0035211 k( 94) = ( 0.3365385 0.3365385 0.0000000), wk = 0.0035211 k( 95) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0035211 k( 96) = ( 0.3173077 0.3173077 0.0000000), wk = 0.0035211 k( 97) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0035211 k( 98) = ( 0.2980769 0.2980769 0.0000000), wk = 0.0035211 k( 99) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0035211 k( 100) = ( 0.2788462 0.2788462 0.0000000), wk = 0.0035211 k( 101) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0035211 k( 102) = ( 0.2596154 0.2596154 0.0000000), wk = 0.0035211 k( 103) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035211 k( 104) = ( 0.2403846 0.2403846 0.0000000), wk = 0.0035211 k( 105) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0035211 k( 106) = ( 0.2211539 0.2211539 0.0000000), wk = 0.0035211 k( 107) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0035211 k( 108) = ( 0.2019231 0.2019231 0.0000000), wk = 0.0035211 k( 109) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0035211 k( 110) = ( 0.1826923 0.1826923 0.0000000), wk = 0.0035211 k( 111) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0035211 k( 112) = ( 0.1634615 0.1634615 0.0000000), wk = 0.0035211 k( 113) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0035211 k( 114) = ( 0.1442308 0.1442308 0.0000000), wk = 0.0035211 k( 115) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0035211 k( 116) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035211 k( 117) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0035211 k( 118) = ( 0.1057692 0.1057692 0.0000000), wk = 0.0035211 k( 119) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0035211 k( 120) = ( 0.0865385 0.0865385 0.0000000), wk = 0.0035211 k( 121) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0035211 k( 122) = ( 0.0673077 0.0673077 0.0000000), wk = 0.0035211 k( 123) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0035211 k( 124) = ( 0.0480769 0.0480769 0.0000000), wk = 0.0035211 k( 125) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0035211 k( 126) = ( 0.0288462 0.0288462 0.0000000), wk = 0.0035211 k( 127) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0035211 k( 128) = ( 0.0096154 0.0096154 0.0000000), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 131) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0035211 k( 132) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0035211 k( 133) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0035211 k( 134) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0035211 k( 135) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0035211 k( 136) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0035211 k( 137) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0035211 k( 138) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0035211 k( 139) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035211 k( 140) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0035211 k( 141) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0035211 k( 142) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0035211 k( 143) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0035211 k( 144) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0035211 k( 145) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0035211 k( 146) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0035211 k( 147) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0035211 k( 148) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035211 k( 149) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0035211 k( 150) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0035211 k( 151) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035211 k( 152) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0035211 k( 153) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0035211 k( 154) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0035211 k( 155) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0035211 k( 156) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0035211 k( 157) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035211 k( 158) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0035211 k( 159) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0035211 k( 160) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0035211 k( 161) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0035211 k( 162) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0035211 k( 163) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0035211 k( 164) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0035211 k( 165) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0035211 k( 166) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035211 k( 167) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0035211 k( 168) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0035211 k( 169) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0035211 k( 170) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0035211 k( 171) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0035211 k( 172) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035211 k( 173) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0035211 k( 174) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0035211 k( 175) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035211 k( 176) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0035211 k( 177) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0035211 k( 178) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0035211 k( 179) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0035211 k( 180) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0035211 k( 181) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0035211 k( 182) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0035211 k( 183) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0035211 k( 184) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035211 k( 185) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0035211 k( 186) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0035211 k( 187) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0035211 k( 188) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0035211 k( 189) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0035211 k( 190) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0035211 k( 191) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0035211 k( 192) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0035211 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 195) = ( 0.4903846 0.5000000 0.4903846), wk = 0.0035211 k( 196) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0035211 k( 197) = ( 0.4711538 0.5000000 0.4711538), wk = 0.0035211 k( 198) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0035211 k( 199) = ( 0.4519231 0.5000000 0.4519231), wk = 0.0035211 k( 200) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0035211 k( 201) = ( 0.4326923 0.5000000 0.4326923), wk = 0.0035211 k( 202) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0035211 k( 203) = ( 0.4134615 0.5000000 0.4134615), wk = 0.0035211 k( 204) = ( 0.4038462 0.5000000 0.4038462), wk = 0.0035211 k( 205) = ( 0.3942308 0.5000000 0.3942308), wk = 0.0035211 k( 206) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0035211 k( 207) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0035211 k( 208) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0035211 k( 209) = ( 0.3557692 0.5000000 0.3557692), wk = 0.0035211 k( 210) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0035211 k( 211) = ( 0.3365385 0.5000000 0.3365385), wk = 0.0035211 k( 212) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0035211 k( 213) = ( 0.3173077 0.5000000 0.3173077), wk = 0.0035211 k( 214) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0035211 k( 215) = ( 0.2980769 0.5000000 0.2980769), wk = 0.0035211 k( 216) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0035211 k( 217) = ( 0.2788462 0.5000000 0.2788462), wk = 0.0035211 k( 218) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0035211 k( 219) = ( 0.2596154 0.5000000 0.2596154), wk = 0.0035211 k( 220) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0035211 k( 221) = ( 0.2403846 0.5000000 0.2403846), wk = 0.0035211 k( 222) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0035211 k( 223) = ( 0.2211539 0.5000000 0.2211539), wk = 0.0035211 k( 224) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0035211 k( 225) = ( 0.2019231 0.5000000 0.2019231), wk = 0.0035211 k( 226) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0035211 k( 227) = ( 0.1826923 0.5000000 0.1826923), wk = 0.0035211 k( 228) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0035211 k( 229) = ( 0.1634615 0.5000000 0.1634615), wk = 0.0035211 k( 230) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0035211 k( 231) = ( 0.1442308 0.5000000 0.1442308), wk = 0.0035211 k( 232) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0035211 k( 233) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0035211 k( 234) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0035211 k( 235) = ( 0.1057692 0.5000000 0.1057692), wk = 0.0035211 k( 236) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0035211 k( 237) = ( 0.0865385 0.5000000 0.0865385), wk = 0.0035211 k( 238) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0035211 k( 239) = ( 0.0673077 0.5000000 0.0673077), wk = 0.0035211 k( 240) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0035211 k( 241) = ( 0.0480769 0.5000000 0.0480769), wk = 0.0035211 k( 242) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0035211 k( 243) = ( 0.0288462 0.5000000 0.0288462), wk = 0.0035211 k( 244) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0035211 k( 245) = ( 0.0096154 0.5000000 0.0096154), wk = 0.0035211 k( 246) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035211 k( 247) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 248) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0035211 k( 249) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0035211 k( 250) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0035211 k( 251) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0035211 k( 252) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0035211 k( 253) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0035211 k( 254) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0035211 k( 255) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0035211 k( 256) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0035211 k( 257) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0035211 k( 258) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0035211 k( 259) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0035211 k( 260) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0035211 k( 261) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0035211 k( 262) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0035211 k( 263) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0035211 k( 264) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0035211 k( 265) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0035211 k( 266) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0035211 k( 267) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0035211 k( 268) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0035211 k( 269) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0035211 k( 270) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0035211 k( 271) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0035211 k( 272) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0035211 k( 273) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0035211 k( 274) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0035211 k( 275) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0035211 k( 276) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0035211 k( 277) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0035211 k( 278) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0035211 k( 279) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0035211 k( 280) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0035211 k( 281) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0035211 k( 282) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0035211 k( 283) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0035211 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 Dense grid: 149397 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 26145 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 186, 50) NL pseudopotentials 0.16 Mb ( 93, 110) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4150) G-vector shells 0.01 Mb ( 759) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 186, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) The potential is recalculated from file : ./KCdF3.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.8 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.6 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 11.9 secs Computing kpt #: 20 total cpu time spent up to now is 12.3 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.1 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.2 secs Computing kpt #: 29 total cpu time spent up to now is 16.6 secs Computing kpt #: 30 total cpu time spent up to now is 17.1 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.4 secs Computing kpt #: 34 total cpu time spent up to now is 18.8 secs Computing kpt #: 35 total cpu time spent up to now is 19.3 secs Computing kpt #: 36 total cpu time spent up to now is 19.7 secs Computing kpt #: 37 total cpu time spent up to now is 20.1 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.0 secs Computing kpt #: 40 total cpu time spent up to now is 21.4 secs Computing kpt #: 41 total cpu time spent up to now is 21.9 secs Computing kpt #: 42 total cpu time spent up to now is 22.3 secs Computing kpt #: 43 total cpu time spent up to now is 22.8 secs Computing kpt #: 44 total cpu time spent up to now is 23.2 secs Computing kpt #: 45 total cpu time spent up to now is 23.7 secs Computing kpt #: 46 total cpu time spent up to now is 24.1 secs Computing kpt #: 47 total cpu time spent up to now is 24.5 secs Computing kpt #: 48 total cpu time spent up to now is 24.9 secs Computing kpt #: 49 total cpu time spent up to now is 25.4 secs Computing kpt #: 50 total cpu time spent up to now is 25.8 secs Computing kpt #: 51 total cpu time spent up to now is 26.3 secs Computing kpt #: 52 total cpu time spent up to now is 26.7 secs Computing kpt #: 53 total cpu time spent up to now is 27.1 secs Computing kpt #: 54 total cpu time spent up to now is 27.5 secs Computing kpt #: 55 total cpu time spent up to now is 27.9 secs Computing kpt #: 56 total cpu time spent up to now is 28.3 secs Computing kpt #: 57 total cpu time spent up to now is 28.7 secs Computing kpt #: 58 total cpu time spent up to now is 29.1 secs Computing kpt #: 59 total cpu time spent up to now is 29.4 secs Computing kpt #: 60 total cpu time spent up to now is 29.8 secs Computing kpt #: 61 total cpu time spent up to now is 30.2 secs Computing kpt #: 62 total cpu time spent up to now is 30.6 secs Computing kpt #: 63 total cpu time spent up to now is 31.0 secs Computing kpt #: 64 total cpu time spent up to now is 31.4 secs Computing kpt #: 65 total cpu time spent up to now is 31.8 secs Computing kpt #: 66 total cpu time spent up to now is 32.2 secs Computing kpt #: 67 total cpu time spent up to now is 32.5 secs Computing kpt #: 68 total cpu time spent up to now is 32.9 secs Computing kpt #: 69 total cpu time spent up to now is 33.3 secs Computing kpt #: 70 total cpu time spent up to now is 33.7 secs Computing kpt #: 71 total cpu time spent up to now is 34.0 secs Computing kpt #: 72 total cpu time spent up to now is 34.4 secs Computing kpt #: 73 total cpu time spent up to now is 34.8 secs Computing kpt #: 74 total cpu time spent up to now is 35.1 secs Computing kpt #: 75 total cpu time spent up to now is 35.5 secs Computing kpt #: 76 total cpu time spent up to now is 35.8 secs Computing kpt #: 77 total cpu time spent up to now is 36.2 secs Computing kpt #: 78 total cpu time spent up to now is 36.6 secs Computing kpt #: 79 total cpu time spent up to now is 36.9 secs Computing kpt #: 80 total cpu time spent up to now is 37.3 secs Computing kpt #: 81 total cpu time spent up to now is 37.6 secs Computing kpt #: 82 total cpu time spent up to now is 38.0 secs Computing kpt #: 83 total cpu time spent up to now is 38.4 secs Computing kpt #: 84 total cpu time spent up to now is 38.8 secs Computing kpt #: 85 total cpu time spent up to now is 39.1 secs Computing kpt #: 86 total cpu time spent up to now is 39.5 secs Computing kpt #: 87 total cpu time spent up to now is 39.9 secs Computing kpt #: 88 total cpu time spent up to now is 40.3 secs Computing kpt #: 89 total cpu time spent up to now is 40.7 secs Computing kpt #: 90 total cpu time spent up to now is 41.1 secs Computing kpt #: 91 total cpu time spent up to now is 41.5 secs Computing kpt #: 92 total cpu time spent up to now is 41.9 secs Computing kpt #: 93 total cpu time spent up to now is 42.3 secs Computing kpt #: 94 total cpu time spent up to now is 42.7 secs Computing kpt #: 95 total cpu time spent up to now is 43.1 secs Computing kpt #: 96 total cpu time spent up to now is 43.4 secs Computing kpt #: 97 total cpu time spent up to now is 43.8 secs Computing kpt #: 98 total cpu time spent up to now is 44.2 secs Computing kpt #: 99 total cpu time spent up to now is 44.6 secs Computing kpt #: 100 total cpu time spent up to now is 45.0 secs Computing kpt #: 101 total cpu time spent up to now is 45.4 secs Computing kpt #: 102 total cpu time spent up to now is 45.8 secs Computing kpt #: 103 total cpu time spent up to now is 46.2 secs Computing kpt #: 104 total cpu time spent up to now is 46.5 secs Computing kpt #: 105 total cpu time spent up to now is 46.9 secs Computing kpt #: 106 total cpu time spent up to now is 47.3 secs Computing kpt #: 107 total cpu time spent up to now is 47.7 secs Computing kpt #: 108 total cpu time spent up to now is 48.1 secs Computing kpt #: 109 total cpu time spent up to now is 48.5 secs Computing kpt #: 110 total cpu time spent up to now is 48.8 secs Computing kpt #: 111 total cpu time spent up to now is 49.2 secs Computing kpt #: 112 total cpu time spent up to now is 49.6 secs Computing kpt #: 113 total cpu time spent up to now is 50.0 secs Computing kpt #: 114 total cpu time spent up to now is 50.4 secs Computing kpt #: 115 total cpu time spent up to now is 50.7 secs Computing kpt #: 116 total cpu time spent up to now is 51.1 secs Computing kpt #: 117 total cpu time spent up to now is 51.5 secs Computing kpt #: 118 total cpu time spent up to now is 51.9 secs Computing kpt #: 119 total cpu time spent up to now is 52.3 secs Computing kpt #: 120 total cpu time spent up to now is 52.7 secs Computing kpt #: 121 total cpu time spent up to now is 53.0 secs Computing kpt #: 122 total cpu time spent up to now is 53.4 secs Computing kpt #: 123 total cpu time spent up to now is 53.8 secs Computing kpt #: 124 total cpu time spent up to now is 54.2 secs Computing kpt #: 125 total cpu time spent up to now is 54.6 secs Computing kpt #: 126 total cpu time spent up to now is 55.0 secs Computing kpt #: 127 total cpu time spent up to now is 55.4 secs Computing kpt #: 128 total cpu time spent up to now is 55.8 secs Computing kpt #: 129 total cpu time spent up to now is 56.2 secs Computing kpt #: 130 total cpu time spent up to now is 56.6 secs Computing kpt #: 131 total cpu time spent up to now is 57.0 secs Computing kpt #: 132 total cpu time spent up to now is 57.4 secs Computing kpt #: 133 total cpu time spent up to now is 57.8 secs Computing kpt #: 134 total cpu time spent up to now is 58.2 secs Computing kpt #: 135 total cpu time spent up to now is 58.6 secs Computing kpt #: 136 total cpu time spent up to now is 59.0 secs Computing kpt #: 137 total cpu time spent up to now is 59.4 secs Computing kpt #: 138 total cpu time spent up to now is 59.7 secs Computing kpt #: 139 total cpu time spent up to now is 60.1 secs Computing kpt #: 140 total cpu time spent up to now is 60.5 secs Computing kpt #: 141 total cpu time spent up to now is 60.9 secs Computing kpt #: 142 total cpu time spent up to now is 61.2 secs Computing kpt #: 143 total cpu time spent up to now is 61.6 secs Computing kpt #: 144 total cpu time spent up to now is 62.0 secs Computing kpt #: 145 total cpu time spent up to now is 62.4 secs Computing kpt #: 146 total cpu time spent up to now is 62.7 secs Computing kpt #: 147 total cpu time spent up to now is 63.1 secs Computing kpt #: 148 total cpu time spent up to now is 63.5 secs Computing kpt #: 149 total cpu time spent up to now is 63.9 secs Computing kpt #: 150 total cpu time spent up to now is 64.2 secs Computing kpt #: 151 total cpu time spent up to now is 64.6 secs Computing kpt #: 152 total cpu time spent up to now is 65.0 secs Computing kpt #: 153 total cpu time spent up to now is 65.3 secs Computing kpt #: 154 total cpu time spent up to now is 65.7 secs Computing kpt #: 155 total cpu time spent up to now is 66.1 secs Computing kpt #: 156 total cpu time spent up to now is 66.5 secs Computing kpt #: 157 total cpu time spent up to now is 66.8 secs Computing kpt #: 158 total cpu time spent up to now is 67.2 secs Computing kpt #: 159 total cpu time spent up to now is 67.6 secs Computing kpt #: 160 total cpu time spent up to now is 68.0 secs Computing kpt #: 161 total cpu time spent up to now is 68.3 secs Computing kpt #: 162 total cpu time spent up to now is 68.7 secs Computing kpt #: 163 total cpu time spent up to now is 69.1 secs Computing kpt #: 164 total cpu time spent up to now is 69.5 secs Computing kpt #: 165 total cpu time spent up to now is 69.8 secs Computing kpt #: 166 total cpu time spent up to now is 70.3 secs Computing kpt #: 167 total cpu time spent up to now is 70.6 secs Computing kpt #: 168 total cpu time spent up to now is 71.0 secs Computing kpt #: 169 total cpu time spent up to now is 71.4 secs Computing kpt #: 170 total cpu time spent up to now is 71.7 secs Computing kpt #: 171 total cpu time spent up to now is 72.1 secs Computing kpt #: 172 total cpu time spent up to now is 72.5 secs Computing kpt #: 173 total cpu time spent up to now is 72.8 secs Computing kpt #: 174 total cpu time spent up to now is 73.2 secs Computing kpt #: 175 total cpu time spent up to now is 73.6 secs Computing kpt #: 176 total cpu time spent up to now is 74.0 secs Computing kpt #: 177 total cpu time spent up to now is 74.4 secs Computing kpt #: 178 total cpu time spent up to now is 74.7 secs Computing kpt #: 179 total cpu time spent up to now is 75.1 secs Computing kpt #: 180 total cpu time spent up to now is 75.5 secs Computing kpt #: 181 total cpu time spent up to now is 75.9 secs Computing kpt #: 182 total cpu time spent up to now is 76.2 secs Computing kpt #: 183 total cpu time spent up to now is 76.6 secs Computing kpt #: 184 total cpu time spent up to now is 76.9 secs Computing kpt #: 185 total cpu time spent up to now is 77.3 secs Computing kpt #: 186 total cpu time spent up to now is 77.6 secs Computing kpt #: 187 total cpu time spent up to now is 78.0 secs Computing kpt #: 188 total cpu time spent up to now is 78.3 secs Computing kpt #: 189 total cpu time spent up to now is 78.6 secs Computing kpt #: 190 total cpu time spent up to now is 79.0 secs Computing kpt #: 191 total cpu time spent up to now is 79.3 secs Computing kpt #: 192 total cpu time spent up to now is 79.6 secs Computing kpt #: 193 total cpu time spent up to now is 79.9 secs Computing kpt #: 194 total cpu time spent up to now is 80.2 secs Computing kpt #: 195 total cpu time spent up to now is 80.6 secs Computing kpt #: 196 total cpu time spent up to now is 80.9 secs Computing kpt #: 197 total cpu time spent up to now is 81.2 secs Computing kpt #: 198 total cpu time spent up to now is 81.5 secs Computing kpt #: 199 total cpu time spent up to now is 81.9 secs Computing kpt #: 200 total cpu time spent up to now is 82.2 secs Computing kpt #: 201 total cpu time spent up to now is 82.6 secs Computing kpt #: 202 total cpu time spent up to now is 82.9 secs Computing kpt #: 203 total cpu time spent up to now is 83.3 secs Computing kpt #: 204 total cpu time spent up to now is 83.6 secs Computing kpt #: 205 total cpu time spent up to now is 84.0 secs Computing kpt #: 206 total cpu time spent up to now is 84.3 secs Computing kpt #: 207 total cpu time spent up to now is 84.7 secs Computing kpt #: 208 total cpu time spent up to now is 85.1 secs Computing kpt #: 209 total cpu time spent up to now is 85.5 secs Computing kpt #: 210 total cpu time spent up to now is 85.9 secs Computing kpt #: 211 total cpu time spent up to now is 86.4 secs Computing kpt #: 212 total cpu time spent up to now is 86.9 secs Computing kpt #: 213 total cpu time spent up to now is 87.3 secs Computing kpt #: 214 total cpu time spent up to now is 87.8 secs Computing kpt #: 215 total cpu time spent up to now is 88.3 secs Computing kpt #: 216 total cpu time spent up to now is 88.7 secs Computing kpt #: 217 total cpu time spent up to now is 89.2 secs Computing kpt #: 218 total cpu time spent up to now is 89.6 secs Computing kpt #: 219 total cpu time spent up to now is 90.1 secs Computing kpt #: 220 total cpu time spent up to now is 90.5 secs Computing kpt #: 221 total cpu time spent up to now is 91.0 secs Computing kpt #: 222 total cpu time spent up to now is 91.4 secs Computing kpt #: 223 total cpu time spent up to now is 91.8 secs Computing kpt #: 224 total cpu time spent up to now is 92.2 secs Computing kpt #: 225 total cpu time spent up to now is 92.6 secs Computing kpt #: 226 total cpu time spent up to now is 92.9 secs Computing kpt #: 227 total cpu time spent up to now is 93.3 secs Computing kpt #: 228 total cpu time spent up to now is 93.7 secs Computing kpt #: 229 total cpu time spent up to now is 94.1 secs Computing kpt #: 230 total cpu time spent up to now is 94.4 secs Computing kpt #: 231 total cpu time spent up to now is 94.8 secs Computing kpt #: 232 total cpu time spent up to now is 95.2 secs Computing kpt #: 233 total cpu time spent up to now is 95.6 secs Computing kpt #: 234 total cpu time spent up to now is 95.9 secs Computing kpt #: 235 total cpu time spent up to now is 96.3 secs Computing kpt #: 236 total cpu time spent up to now is 96.7 secs Computing kpt #: 237 total cpu time spent up to now is 97.1 secs Computing kpt #: 238 total cpu time spent up to now is 97.5 secs Computing kpt #: 239 total cpu time spent up to now is 97.9 secs Computing kpt #: 240 total cpu time spent up to now is 98.3 secs Computing kpt #: 241 total cpu time spent up to now is 98.7 secs Computing kpt #: 242 total cpu time spent up to now is 99.1 secs Computing kpt #: 243 total cpu time spent up to now is 99.6 secs Computing kpt #: 244 total cpu time spent up to now is 100.0 secs Computing kpt #: 245 total cpu time spent up to now is 100.5 secs Computing kpt #: 246 total cpu time spent up to now is 100.9 secs Computing kpt #: 247 total cpu time spent up to now is 101.3 secs Computing kpt #: 248 total cpu time spent up to now is 101.7 secs Computing kpt #: 249 total cpu time spent up to now is 102.0 secs Computing kpt #: 250 total cpu time spent up to now is 102.4 secs Computing kpt #: 251 total cpu time spent up to now is 102.7 secs Computing kpt #: 252 total cpu time spent up to now is 103.1 secs Computing kpt #: 253 total cpu time spent up to now is 103.4 secs Computing kpt #: 254 total cpu time spent up to now is 103.8 secs Computing kpt #: 255 total cpu time spent up to now is 104.1 secs Computing kpt #: 256 total cpu time spent up to now is 104.5 secs Computing kpt #: 257 total cpu time spent up to now is 104.9 secs Computing kpt #: 258 total cpu time spent up to now is 105.2 secs Computing kpt #: 259 total cpu time spent up to now is 105.6 secs Computing kpt #: 260 total cpu time spent up to now is 106.0 secs Computing kpt #: 261 total cpu time spent up to now is 106.5 secs Computing kpt #: 262 total cpu time spent up to now is 106.9 secs Computing kpt #: 263 total cpu time spent up to now is 107.4 secs Computing kpt #: 264 total cpu time spent up to now is 107.8 secs Computing kpt #: 265 total cpu time spent up to now is 108.2 secs Computing kpt #: 266 total cpu time spent up to now is 108.7 secs Computing kpt #: 267 total cpu time spent up to now is 109.1 secs Computing kpt #: 268 total cpu time spent up to now is 109.6 secs Computing kpt #: 269 total cpu time spent up to now is 110.1 secs Computing kpt #: 270 total cpu time spent up to now is 110.6 secs Computing kpt #: 271 total cpu time spent up to now is 111.0 secs Computing kpt #: 272 total cpu time spent up to now is 111.3 secs Computing kpt #: 273 total cpu time spent up to now is 111.7 secs Computing kpt #: 274 total cpu time spent up to now is 112.1 secs Computing kpt #: 275 total cpu time spent up to now is 112.4 secs Computing kpt #: 276 total cpu time spent up to now is 112.7 secs Computing kpt #: 277 total cpu time spent up to now is 113.1 secs Computing kpt #: 278 total cpu time spent up to now is 113.4 secs Computing kpt #: 279 total cpu time spent up to now is 113.8 secs Computing kpt #: 280 total cpu time spent up to now is 114.1 secs Computing kpt #: 281 total cpu time spent up to now is 114.4 secs Computing kpt #: 282 total cpu time spent up to now is 114.7 secs Computing kpt #: 283 total cpu time spent up to now is 115.0 secs Computing kpt #: 284 total cpu time spent up to now is 115.4 secs ethr = 2.38E-08, avg # of iterations = 19.4 total cpu time spent up to now is 115.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -23.9801 -23.9801 -17.4230 -17.4230 -17.0949 -17.0949 -17.0949 -17.0949 -7.6242 -7.6242 -7.3585 -7.3585 -7.3585 -7.3585 -1.5797 -1.5797 -1.5797 -1.5797 -1.0180 -1.0180 -0.6442 -0.6442 -0.6442 -0.6442 0.0801 0.0801 0.1572 0.1572 0.1572 0.1572 1.7737 1.7737 1.7737 1.7737 1.8025 1.8025 1.8248 1.8248 1.8903 1.8903 1.8903 1.8903 6.9783 6.9783 11.9424 11.9424 11.9424 11.9424 12.6493 12.6493 k = 0.0000 0.0135-0.0000 ( 3243 PWs) bands (ev): -23.9801 -23.9801 -17.4228 -17.4228 -17.0950 -17.0950 -17.0949 -17.0949 -7.6242 -7.6242 -7.3585 -7.3585 -7.3585 -7.3585 -1.5810 -1.5810 -1.5798 -1.5798 -1.0184 -1.0184 -0.6539 -0.6539 -0.6442 -0.6442 0.0831 0.0831 0.1576 0.1576 0.1639 0.1639 1.7736 1.7736 1.7738 1.7738 1.8026 1.8026 1.8248 1.8248 1.8901 1.8901 1.8904 1.8904 6.9815 6.9815 11.9435 11.9435 11.9436 11.9436 12.6499 12.6499 k = 0.0000 0.0270-0.0000 ( 3251 PWs) bands (ev): -23.9801 -23.9801 -17.4223 -17.4223 -17.0951 -17.0951 -17.0949 -17.0949 -7.6241 -7.6241 -7.3586 -7.3586 -7.3584 -7.3584 -1.5847 -1.5847 -1.5802 -1.5802 -1.0197 -1.0197 -0.6812 -0.6812 -0.6444 -0.6444 0.0898 0.0898 0.1586 0.1586 0.1849 0.1849 1.7732 1.7732 1.7743 1.7743 1.8028 1.8028 1.8249 1.8249 1.8892 1.8892 1.8908 1.8908 6.9912 6.9912 11.9468 11.9468 11.9473 11.9473 12.6515 12.6515 k = 0.0000 0.0405-0.0000 ( 3251 PWs) bands (ev): -23.9800 -23.9800 -17.4215 -17.4215 -17.0952 -17.0952 -17.0949 -17.0949 -7.6241 -7.6241 -7.3587 -7.3587 -7.3583 -7.3583 -1.5908 -1.5908 -1.5808 -1.5808 -1.0217 -1.0217 -0.7226 -0.7226 -0.6446 -0.6446 0.0965 0.0965 0.1602 0.1602 0.2206 0.2206 1.7726 1.7726 1.7751 1.7751 1.8031 1.8031 1.8251 1.8251 1.8879 1.8879 1.8913 1.8913 7.0073 7.0073 11.9522 11.9522 11.9534 11.9534 12.6542 12.6542 k = 0.0000 0.0541-0.0000 ( 3247 PWs) bands (ev): -23.9799 -23.9799 -17.4203 -17.4203 -17.0954 -17.0954 -17.0948 -17.0948 -7.6241 -7.6241 -7.3587 -7.3587 -7.3581 -7.3581 -1.5996 -1.5996 -1.5817 -1.5817 -1.0244 -1.0244 -0.7742 -0.7742 -0.6449 -0.6449 0.1020 0.1020 0.1625 0.1625 0.2680 0.2680 1.7717 1.7717 1.7761 1.7761 1.8037 1.8037 1.8254 1.8254 1.8862 1.8862 1.8922 1.8922 7.0298 7.0298 11.9593 11.9593 11.9619 11.9619 12.6584 12.6584 k = 0.0000 0.0676-0.0000 ( 3255 PWs) bands (ev): -23.9798 -23.9798 -17.4189 -17.4189 -17.0956 -17.0956 -17.0948 -17.0948 -7.6240 -7.6240 -7.3589 -7.3589 -7.3578 -7.3578 -1.6112 -1.6112 -1.5827 -1.5827 -1.0279 -1.0279 -0.8324 -0.8324 -0.6452 -0.6452 0.1069 0.1069 0.1654 0.1654 0.3231 0.3231 1.7702 1.7702 1.7772 1.7772 1.8045 1.8045 1.8259 1.8259 1.8842 1.8842 1.8933 1.8933 7.0585 7.0585 11.9677 11.9677 11.9728 11.9728 12.6641 12.6641 k = 0.0000 0.0811-0.0000 ( 3255 PWs) bands (ev): -23.9797 -23.9797 -17.4171 -17.4171 -17.0959 -17.0959 -17.0947 -17.0947 -7.6239 -7.6239 -7.3590 -7.3590 -7.3575 -7.3575 -1.6258 -1.6258 -1.5841 -1.5841 -1.0320 -1.0320 -0.8941 -0.8941 -0.6456 -0.6456 0.1116 0.1116 0.1688 0.1688 0.3830 0.3830 1.7683 1.7683 1.7784 1.7784 1.8056 1.8056 1.8268 1.8268 1.8819 1.8819 1.8948 1.8948 7.0935 7.0935 11.9771 11.9771 11.9859 11.9859 12.6719 12.6719 k = 0.0000 0.0946-0.0000 ( 3263 PWs) bands (ev): -23.9796 -23.9796 -17.4150 -17.4150 -17.0962 -17.0962 -17.0947 -17.0947 -7.6239 -7.6239 -7.3592 -7.3592 -7.3572 -7.3572 -1.6439 -1.6439 -1.5856 -1.5856 -1.0368 -1.0368 -0.9573 -0.9573 -0.6461 -0.6461 0.1163 0.1163 0.1726 0.1726 0.4452 0.4452 1.7658 1.7658 1.7794 1.7794 1.8069 1.8069 1.8281 1.8281 1.8795 1.8795 1.8968 1.8968 7.1344 7.1344 11.9867 11.9867 12.0012 12.0012 12.6821 12.6821 k = 0.0000 0.1081-0.0000 ( 3263 PWs) bands (ev): -23.9794 -23.9794 -17.4127 -17.4127 -17.0966 -17.0966 -17.0946 -17.0946 -7.6238 -7.6238 -7.3594 -7.3594 -7.3568 -7.3568 -1.6655 -1.6655 -1.5874 -1.5874 -1.0422 -1.0422 -1.0199 -1.0199 -0.6465 -0.6465 0.1213 0.1213 0.1770 0.1770 0.5083 0.5083 1.7628 1.7628 1.7803 1.7803 1.8083 1.8083 1.8299 1.8299 1.8773 1.8773 1.8993 1.8993 7.1813 7.1813 11.9958 11.9958 12.0187 12.0187 12.6953 12.6953 k = 0.0000 0.1216-0.0000 ( 3263 PWs) bands (ev): -23.9792 -23.9792 -17.4101 -17.4101 -17.0970 -17.0970 -17.0945 -17.0945 -7.6237 -7.6237 -7.3596 -7.3596 -7.3563 -7.3563 -1.6912 -1.6912 -1.5894 -1.5894 -1.0807 -1.0807 -1.0480 -1.0480 -0.6470 -0.6470 0.1265 0.1265 0.1816 0.1816 0.5709 0.5709 1.7593 1.7593 1.7809 1.7809 1.8098 1.8098 1.8323 1.8323 1.8753 1.8753 1.9023 1.9023 7.2339 7.2339 12.0036 12.0036 12.0381 12.0381 12.7121 12.7121 k = 0.0000 0.1351-0.0000 ( 3263 PWs) bands (ev): -23.9790 -23.9790 -17.4072 -17.4072 -17.0975 -17.0975 -17.0944 -17.0944 -7.6235 -7.6235 -7.3598 -7.3598 -7.3558 -7.3558 -1.7214 -1.7214 -1.5917 -1.5917 -1.1384 -1.1384 -1.0542 -1.0542 -0.6474 -0.6474 0.1320 0.1320 0.1866 0.1866 0.6322 0.6322 1.7553 1.7553 1.7812 1.7812 1.8113 1.8113 1.8354 1.8354 1.8739 1.8739 1.9059 1.9059 7.2920 7.2920 12.0092 12.0092 12.0595 12.0595 12.7332 12.7332 k = 0.0000 0.1486-0.0000 ( 3263 PWs) bands (ev): -23.9788 -23.9788 -17.4042 -17.4042 -17.0980 -17.0980 -17.0943 -17.0943 -7.6234 -7.6234 -7.3600 -7.3600 -7.3553 -7.3553 -1.7562 -1.7562 -1.5941 -1.5941 -1.1920 -1.1920 -1.0608 -1.0608 -0.6479 -0.6479 0.1376 0.1376 0.1919 0.1919 0.6913 0.6913 1.7509 1.7509 1.7813 1.7813 1.8126 1.8126 1.8390 1.8390 1.8731 1.8731 1.9103 1.9103 7.3555 7.3555 12.0116 12.0116 12.0826 12.0826 12.7593 12.7593 k = 0.0000 0.1622-0.0000 ( 3259 PWs) bands (ev): -23.9785 -23.9785 -17.4009 -17.4009 -17.0985 -17.0985 -17.0942 -17.0942 -7.6233 -7.6233 -7.3603 -7.3603 -7.3547 -7.3547 -1.7956 -1.7956 -1.5967 -1.5967 -1.2409 -1.2409 -1.0677 -1.0677 -0.6484 -0.6484 0.1435 0.1435 0.1973 0.1973 0.7479 0.7479 1.7462 1.7462 1.7811 1.7811 1.8138 1.8138 1.8431 1.8431 1.8735 1.8735 1.9153 1.9153 7.4240 7.4240 12.0101 12.0101 12.1073 12.1073 12.7908 12.7908 k = 0.0000 0.1757-0.0000 ( 3255 PWs) bands (ev): -23.9783 -23.9783 -17.3974 -17.3974 -17.0991 -17.0991 -17.0941 -17.0941 -7.6232 -7.6232 -7.3605 -7.3605 -7.3541 -7.3541 -1.8396 -1.8396 -1.5995 -1.5995 -1.2849 -1.2849 -1.0747 -1.0747 -0.6489 -0.6489 0.1495 0.1495 0.2028 0.2028 0.8013 0.8013 1.7411 1.7411 1.7809 1.7809 1.8147 1.8147 1.8473 1.8473 1.8751 1.8751 1.9210 1.9210 7.4974 7.4974 12.0039 12.0039 12.1335 12.1335 12.8283 12.8283 k = 0.0000 0.1892-0.0000 ( 3247 PWs) bands (ev): -23.9780 -23.9780 -17.3938 -17.3938 -17.0997 -17.0997 -17.0939 -17.0939 -7.6230 -7.6230 -7.3607 -7.3607 -7.3535 -7.3535 -1.8875 -1.8875 -1.6025 -1.6025 -1.3240 -1.3240 -1.0818 -1.0818 -0.6493 -0.6493 0.1556 0.1556 0.2084 0.2084 0.8510 0.8510 1.7358 1.7358 1.7806 1.7806 1.8153 1.8153 1.8516 1.8516 1.8785 1.8785 1.9274 1.9274 7.5754 7.5754 11.9927 11.9927 12.1610 12.1610 12.8719 12.8719 k = 0.0000 0.2027-0.0000 ( 3239 PWs) bands (ev): -23.9778 -23.9778 -17.3900 -17.3900 -17.1003 -17.1003 -17.0938 -17.0938 -7.6229 -7.6229 -7.3610 -7.3610 -7.3529 -7.3529 -1.9387 -1.9387 -1.6055 -1.6055 -1.3586 -1.3586 -1.0890 -1.0890 -0.6497 -0.6497 0.1618 0.1618 0.2141 0.2141 0.8968 0.8968 1.7302 1.7302 1.7803 1.7803 1.8156 1.8156 1.8559 1.8559 1.8837 1.8837 1.9344 1.9344 7.6578 7.6578 11.9759 11.9759 12.1896 12.1896 12.9218 12.9218 k = 0.0000 0.2162-0.0000 ( 3238 PWs) bands (ev): -23.9775 -23.9775 -17.3862 -17.3862 -17.1009 -17.1009 -17.0937 -17.0937 -7.6227 -7.6227 -7.3613 -7.3613 -7.3522 -7.3522 -1.9923 -1.9923 -1.6088 -1.6088 -1.3891 -1.3891 -1.0963 -1.0963 -0.6501 -0.6501 0.1679 0.1679 0.2196 0.2196 0.9383 0.9383 1.7245 1.7245 1.7801 1.7801 1.8157 1.8157 1.8604 1.8604 1.8906 1.8906 1.9418 1.9418 7.7442 7.7442 11.9536 11.9536 12.2192 12.2192 12.9778 12.9778 k = 0.0000 0.2297-0.0000 ( 3238 PWs) bands (ev): -23.9772 -23.9772 -17.3822 -17.3822 -17.1015 -17.1015 -17.0935 -17.0935 -7.6226 -7.6226 -7.3615 -7.3615 -7.3515 -7.3515 -2.0474 -2.0474 -1.6123 -1.6123 -1.4161 -1.4161 -1.1034 -1.1034 -0.6505 -0.6505 0.1740 0.1740 0.2251 0.2251 0.9755 0.9755 1.7186 1.7186 1.7800 1.7800 1.8155 1.8155 1.8654 1.8654 1.8990 1.8990 1.9498 1.9498 7.8344 7.8344 11.9257 11.9257 12.2495 12.2495 13.0399 13.0399 k = 0.0000 0.2432-0.0000 ( 3234 PWs) bands (ev): -23.9769 -23.9769 -17.3782 -17.3782 -17.1022 -17.1022 -17.0934 -17.0934 -7.6224 -7.6224 -7.3618 -7.3618 -7.3508 -7.3508 -2.1032 -2.1032 -1.6158 -1.6158 -1.4402 -1.4402 -1.1105 -1.1105 -0.6509 -0.6509 0.1800 0.1800 0.2305 0.2305 1.0082 1.0082 1.7127 1.7127 1.7798 1.7798 1.8151 1.8151 1.8711 1.8711 1.9089 1.9089 1.9580 1.9580 7.9280 7.9280 11.8922 11.8922 12.2804 12.2804 13.1076 13.1076 k = 0.0000 0.2568-0.0000 ( 3234 PWs) bands (ev): -23.9766 -23.9766 -17.3742 -17.3742 -17.1029 -17.1029 -17.0932 -17.0932 -7.6223 -7.6223 -7.3621 -7.3621 -7.3502 -7.3502 -2.1590 -2.1590 -1.6194 -1.6194 -1.4618 -1.4618 -1.1174 -1.1174 -0.6512 -0.6512 0.1859 0.1859 0.2357 0.2357 1.0366 1.0366 1.7068 1.7068 1.7796 1.7796 1.8145 1.8145 1.8774 1.8774 1.9200 1.9200 1.9666 1.9666 8.0247 8.0247 11.8533 11.8533 12.3115 12.3115 13.1807 13.1807 k = 0.0000 0.2703-0.0000 ( 3242 PWs) bands (ev): -23.9764 -23.9764 -17.3702 -17.3702 -17.1036 -17.1036 -17.0931 -17.0931 -7.6222 -7.6222 -7.3623 -7.3623 -7.3495 -7.3495 -2.2142 -2.2142 -1.6231 -1.6231 -1.4813 -1.4813 -1.1241 -1.1241 -0.6516 -0.6516 0.1916 0.1916 0.2407 0.2407 1.0607 1.0607 1.7008 1.7008 1.7794 1.7794 1.8138 1.8138 1.8844 1.8844 1.9325 1.9325 1.9753 1.9753 8.1243 8.1243 11.8092 11.8092 12.3428 12.3428 13.2589 13.2589 k = 0.0000 0.2838-0.0000 ( 3250 PWs) bands (ev): -23.9761 -23.9761 -17.3662 -17.3662 -17.1042 -17.1042 -17.0930 -17.0930 -7.6221 -7.6221 -7.3626 -7.3626 -7.3488 -7.3488 -2.2681 -2.2681 -1.6268 -1.6268 -1.4990 -1.4990 -1.1305 -1.1305 -0.6519 -0.6519 0.1970 0.1970 0.2455 0.2455 1.0809 1.0809 1.6950 1.6950 1.7789 1.7789 1.8129 1.8129 1.8918 1.8918 1.9461 1.9461 1.9840 1.9840 8.2262 8.2262 11.7601 11.7601 12.3740 12.3740 13.3418 13.3418 k = 0.0000 0.2973-0.0000 ( 3242 PWs) bands (ev): -23.9758 -23.9758 -17.3623 -17.3623 -17.1049 -17.1049 -17.0929 -17.0929 -7.6219 -7.6219 -7.3628 -7.3628 -7.3481 -7.3481 -2.3202 -2.3202 -1.6304 -1.6304 -1.5151 -1.5151 -1.1366 -1.1366 -0.6521 -0.6521 0.2023 0.2023 0.2501 0.2501 1.0974 1.0974 1.6892 1.6892 1.7784 1.7784 1.8120 1.8120 1.8994 1.8994 1.9607 1.9607 1.9928 1.9928 8.3302 8.3302 11.7062 11.7062 12.4048 12.4048 13.4291 13.4291 k = 0.0000 0.3108-0.0000 ( 3242 PWs) bands (ev): -23.9755 -23.9755 -17.3584 -17.3584 -17.1056 -17.1056 -17.0927 -17.0927 -7.6218 -7.6218 -7.3631 -7.3631 -7.3475 -7.3475 -2.3703 -2.3703 -1.6341 -1.6341 -1.5297 -1.5297 -1.1424 -1.1424 -0.6524 -0.6524 0.2073 0.2073 0.2544 0.2544 1.1106 1.1106 1.6837 1.6837 1.7778 1.7778 1.8110 1.8110 1.9071 1.9071 1.9762 1.9762 2.0014 2.0014 8.4358 8.4358 11.6479 11.6479 12.4350 12.4350 13.5205 13.5205 k = 0.0000 0.3243-0.0000 ( 3242 PWs) bands (ev): -23.9753 -23.9753 -17.3547 -17.3547 -17.1062 -17.1062 -17.0926 -17.0926 -7.6217 -7.6217 -7.3633 -7.3633 -7.3469 -7.3469 -2.4181 -2.4181 -1.6376 -1.6376 -1.5431 -1.5431 -1.1478 -1.1478 -0.6526 -0.6526 0.2120 0.2120 0.2584 0.2584 1.1209 1.1209 1.6783 1.6783 1.7771 1.7771 1.8100 1.8100 1.9147 1.9147 1.9923 1.9923 2.0099 2.0099 8.5427 8.5427 11.5856 11.5856 12.4644 12.4644 13.6156 13.6156 k = 0.0000 0.3378-0.0000 ( 3258 PWs) bands (ev): -23.9750 -23.9750 -17.3511 -17.3511 -17.1069 -17.1069 -17.0925 -17.0925 -7.6216 -7.6216 -7.3635 -7.3635 -7.3463 -7.3463 -2.4632 -2.4632 -1.6412 -1.6412 -1.5554 -1.5554 -1.1530 -1.1530 -0.6530 -0.6530 0.2164 0.2164 0.2621 0.2621 1.1288 1.1288 1.6731 1.6731 1.7763 1.7763 1.8090 1.8090 1.9220 1.9220 2.0085 2.0085 2.0180 2.0180 8.6502 8.6502 11.5195 11.5195 12.4928 12.4928 13.7140 13.7140 k = 0.0000 0.3514-0.0000 ( 3258 PWs) bands (ev): -23.9748 -23.9748 -17.3477 -17.3477 -17.1075 -17.1075 -17.0923 -17.0923 -7.6215 -7.6215 -7.3637 -7.3637 -7.3457 -7.3457 -2.5054 -2.5054 -1.6445 -1.6445 -1.5666 -1.5666 -1.1577 -1.1577 -0.6532 -0.6532 0.2205 0.2205 0.2656 0.2656 1.1347 1.1347 1.6683 1.6683 1.7755 1.7755 1.8080 1.8080 1.9290 1.9290 2.0247 2.0247 2.0258 2.0258 8.7579 8.7579 11.4502 11.4502 12.5199 12.5199 13.8035 13.8035 k = 0.0000 0.3649-0.0000 ( 3274 PWs) bands (ev): -23.9746 -23.9746 -17.3446 -17.3446 -17.1080 -17.1080 -17.0923 -17.0923 -7.6215 -7.6215 -7.3639 -7.3639 -7.3452 -7.3452 -2.5445 -2.5445 -1.6477 -1.6477 -1.5768 -1.5768 -1.1621 -1.1621 -0.6534 -0.6534 0.2242 0.2242 0.2688 0.2688 1.1389 1.1389 1.6637 1.6637 1.7746 1.7746 1.8070 1.8070 1.9355 1.9355 2.0332 2.0332 2.0404 2.0404 8.8652 8.8652 11.3782 11.3782 12.5455 12.5455 13.7964 13.7964 k = 0.0000 0.3784-0.0000 ( 3274 PWs) bands (ev): -23.9744 -23.9744 -17.3416 -17.3416 -17.1086 -17.1086 -17.0922 -17.0922 -7.6214 -7.6214 -7.3641 -7.3641 -7.3447 -7.3447 -2.5803 -2.5803 -1.6507 -1.6507 -1.5858 -1.5858 -1.1660 -1.1660 -0.6535 -0.6535 0.2277 0.2277 0.2716 0.2716 1.1417 1.1417 1.6594 1.6594 1.7738 1.7738 1.8061 1.8061 1.9416 1.9416 2.0400 2.0400 2.0555 2.0555 8.9713 8.9713 11.3041 11.3041 12.5695 12.5695 13.7890 13.7890 k = 0.0000 0.3919-0.0000 ( 3282 PWs) bands (ev): -23.9742 -23.9742 -17.3388 -17.3388 -17.1091 -17.1091 -17.0921 -17.0921 -7.6213 -7.6213 -7.3643 -7.3643 -7.3443 -7.3443 -2.6127 -2.6127 -1.6535 -1.6535 -1.5940 -1.5940 -1.1696 -1.1696 -0.6537 -0.6537 0.2308 0.2308 0.2742 0.2742 1.1435 1.1435 1.6555 1.6555 1.7730 1.7730 1.8052 1.8052 1.9472 1.9472 2.0464 2.0464 2.0697 2.0697 9.0754 9.0754 11.2289 11.2289 12.5915 12.5915 13.7823 13.7823 k = 0.0000 0.4054-0.0000 ( 3282 PWs) bands (ev): -23.9740 -23.9740 -17.3364 -17.3364 -17.1095 -17.1095 -17.0920 -17.0920 -7.6213 -7.6213 -7.3644 -7.3644 -7.3439 -7.3439 -2.6415 -2.6415 -1.6560 -1.6560 -1.6011 -1.6011 -1.1727 -1.1727 -0.6538 -0.6538 0.2335 0.2335 0.2764 0.2764 1.1446 1.1446 1.6520 1.6520 1.7723 1.7723 1.8044 1.8044 1.9523 1.9523 2.0521 2.0521 2.0826 2.0826 9.1763 9.1763 11.1535 11.1535 12.6114 12.6114 13.7763 13.7763 k = 0.0000 0.4189-0.0000 ( 3282 PWs) bands (ev): -23.9739 -23.9739 -17.3342 -17.3342 -17.1099 -17.1099 -17.0919 -17.0919 -7.6212 -7.6212 -7.3645 -7.3645 -7.3435 -7.3435 -2.6667 -2.6667 -1.6582 -1.6582 -1.6073 -1.6073 -1.1754 -1.1754 -0.6539 -0.6539 0.2359 0.2359 0.2784 0.2784 1.1450 1.1450 1.6489 1.6489 1.7716 1.7716 1.8037 1.8037 1.9568 1.9568 2.0572 2.0572 2.0942 2.0942 9.2727 9.2727 11.0793 11.0793 12.6291 12.6291 13.7710 13.7710 k = 0.0000 0.4324-0.0000 ( 3286 PWs) bands (ev): -23.9738 -23.9738 -17.3323 -17.3323 -17.1102 -17.1102 -17.0919 -17.0919 -7.6212 -7.6212 -7.3646 -7.3646 -7.3432 -7.3432 -2.6882 -2.6882 -1.6602 -1.6602 -1.6125 -1.6125 -1.1777 -1.1777 -0.6540 -0.6540 0.2379 0.2379 0.2800 0.2800 1.1451 1.1451 1.6463 1.6463 1.7711 1.7711 1.8031 1.8031 1.9606 1.9606 2.0615 2.0615 2.1043 2.1043 9.3628 9.3628 11.0081 11.0081 12.6443 12.6443 13.7664 13.7664 k = 0.0000 0.4459-0.0000 ( 3282 PWs) bands (ev): -23.9737 -23.9737 -17.3308 -17.3308 -17.1105 -17.1105 -17.0918 -17.0918 -7.6211 -7.6211 -7.3647 -7.3647 -7.3429 -7.3429 -2.7058 -2.7058 -1.6618 -1.6618 -1.6168 -1.6168 -1.1796 -1.1796 -0.6540 -0.6540 0.2396 0.2396 0.2814 0.2814 1.1450 1.1450 1.6441 1.6441 1.7706 1.7706 1.8026 1.8026 1.9638 1.9638 2.0652 2.0652 2.1127 2.1127 9.4441 9.4441 10.9422 10.9422 12.6569 12.6569 13.7627 13.7627 k = 0.0000 0.4595-0.0000 ( 3266 PWs) bands (ev): -23.9736 -23.9736 -17.3295 -17.3295 -17.1107 -17.1107 -17.0917 -17.0917 -7.6211 -7.6211 -7.3647 -7.3647 -7.3427 -7.3427 -2.7196 -2.7196 -1.6629 -1.6629 -1.6199 -1.6199 -1.1809 -1.1809 -0.6539 -0.6539 0.2409 0.2409 0.2825 0.2825 1.1448 1.1448 1.6424 1.6424 1.7702 1.7702 1.8021 1.8021 1.9663 1.9663 2.0680 2.0680 2.1193 2.1193 9.5136 9.5136 10.8848 10.8848 12.6669 12.6669 13.7598 13.7598 k = 0.0000 0.4730-0.0000 ( 3258 PWs) bands (ev): -23.9735 -23.9735 -17.3287 -17.3287 -17.1109 -17.1109 -17.0917 -17.0917 -7.6210 -7.6210 -7.3648 -7.3648 -7.3426 -7.3426 -2.7294 -2.7294 -1.6638 -1.6638 -1.6222 -1.6222 -1.1819 -1.1819 -0.6539 -0.6539 0.2418 0.2418 0.2832 0.2832 1.1446 1.1446 1.6412 1.6412 1.7699 1.7699 1.8019 1.8019 1.9681 1.9681 2.0701 2.0701 2.1241 2.1241 9.5675 9.5675 10.8394 10.8394 12.6741 12.6741 13.7577 13.7577 k = 0.0000 0.4865-0.0000 ( 3250 PWs) bands (ev): -23.9735 -23.9735 -17.3281 -17.3281 -17.1110 -17.1110 -17.0917 -17.0917 -7.6210 -7.6210 -7.3648 -7.3648 -7.3425 -7.3425 -2.7353 -2.7353 -1.6643 -1.6643 -1.6236 -1.6236 -1.1825 -1.1825 -0.6539 -0.6539 0.2424 0.2424 0.2837 0.2837 1.1445 1.1445 1.6405 1.6405 1.7697 1.7697 1.8017 1.8017 1.9692 1.9692 2.0713 2.0713 2.1271 2.1271 9.6021 9.6021 10.8100 10.8100 12.6784 12.6784 13.7565 13.7565 k = 0.0000 0.5000-0.0000 ( 3250 PWs) bands (ev): -23.9734 -23.9734 -17.3280 -17.3280 -17.1110 -17.1110 -17.0917 -17.0917 -7.6210 -7.6210 -7.3648 -7.3648 -7.3424 -7.3424 -2.7373 -2.7373 -1.6645 -1.6645 -1.6241 -1.6241 -1.1827 -1.1827 -0.6540 -0.6540 0.2425 0.2425 0.2838 0.2838 1.1444 1.1444 1.6403 1.6403 1.7697 1.7697 1.8016 1.8016 1.9695 1.9695 2.0717 2.0717 2.1281 2.1281 9.6140 9.6140 10.7998 10.7998 12.6799 12.6799 13.7561 13.7561 k = 0.0000 0.5000-0.0000 ( 3250 PWs) bands (ev): -23.9734 -23.9734 -17.3280 -17.3280 -17.1110 -17.1110 -17.0917 -17.0917 -7.6210 -7.6210 -7.3648 -7.3648 -7.3424 -7.3424 -2.7373 -2.7373 -1.6645 -1.6645 -1.6241 -1.6241 -1.1827 -1.1827 -0.6540 -0.6540 0.2425 0.2425 0.2838 0.2838 1.1444 1.1444 1.6403 1.6403 1.7697 1.7697 1.8016 1.8016 1.9695 1.9695 2.0717 2.0717 2.1281 2.1281 9.6140 9.6140 10.7998 10.7998 12.6799 12.6799 13.7561 13.7561 k = 0.0135 0.5000-0.0000 ( 3250 PWs) bands (ev): -23.9734 -23.9734 -17.3278 -17.3278 -17.1110 -17.1110 -17.0917 -17.0917 -7.6211 -7.6211 -7.3648 -7.3648 -7.3425 -7.3425 -2.7374 -2.7374 -1.6653 -1.6653 -1.6244 -1.6244 -1.1834 -1.1834 -0.6606 -0.6606 0.2447 0.2447 0.2865 0.2865 1.1452 1.1452 1.6405 1.6405 1.7682 1.7682 1.7997 1.7997 1.9712 1.9712 2.0717 2.0717 2.1335 2.1335 9.6155 9.6155 10.8015 10.8015 12.6811 12.6811 13.7555 13.7555 k = 0.0270 0.5000-0.0000 ( 3254 PWs) bands (ev): -23.9734 -23.9734 -17.3272 -17.3272 -17.1110 -17.1110 -17.0917 -17.0917 -7.6212 -7.6212 -7.3649 -7.3649 -7.3426 -7.3426 -2.7377 -2.7377 -1.6677 -1.6677 -1.6254 -1.6254 -1.1854 -1.1854 -0.6802 -0.6802 0.2502 0.2502 0.2950 0.2950 1.1475 1.1475 1.6412 1.6412 1.7628 1.7628 1.7960 1.7960 1.9754 1.9754 2.0716 2.0716 2.1495 2.1495 9.6199 9.6199 10.8065 10.8065 12.6849 12.6849 13.7536 13.7536 k = 0.0405 0.5000-0.0000 ( 3268 PWs) bands (ev): -23.9734 -23.9734 -17.3262 -17.3262 -17.1111 -17.1111 -17.0918 -17.0918 -7.6214 -7.6214 -7.3652 -7.3652 -7.3428 -7.3428 -2.7382 -2.7382 -1.6719 -1.6719 -1.6271 -1.6271 -1.1890 -1.1890 -0.7111 -0.7111 0.2567 0.2567 0.3103 0.3103 1.1514 1.1514 1.6424 1.6424 1.7524 1.7524 1.7937 1.7937 1.9803 1.9803 2.0714 2.0714 2.1757 2.1757 9.6273 9.6273 10.8150 10.8150 12.6912 12.6912 13.7493 13.7493 k = 0.0541 0.5000-0.0000 ( 3268 PWs) bands (ev): -23.9733 -23.9733 -17.3249 -17.3249 -17.1111 -17.1111 -17.0919 -17.0919 -7.6217 -7.6217 -7.3655 -7.3655 -7.3431 -7.3431 -2.7389 -2.7389 -1.6777 -1.6777 -1.6293 -1.6293 -1.1937 -1.1937 -0.7513 -0.7513 0.2630 0.2630 0.3321 0.3321 1.1567 1.1567 1.6439 1.6439 1.7382 1.7382 1.7936 1.7936 1.9847 1.9847 2.0711 2.0711 2.2111 2.2111 9.6376 9.6376 10.8267 10.8267 12.6999 12.6999 13.7417 13.7417 k = 0.0676 0.5000-0.0000 ( 3272 PWs) bands (ev): -23.9732 -23.9732 -17.3232 -17.3232 -17.1112 -17.1112 -17.0921 -17.0921 -7.6220 -7.6220 -7.3659 -7.3659 -7.3434 -7.3434 -2.7398 -2.7398 -1.6855 -1.6855 -1.6320 -1.6320 -1.1999 -1.1999 -0.7988 -0.7988 0.2691 0.2691 0.3584 0.3584 1.1634 1.1634 1.6459 1.6459 1.7222 1.7222 1.7953 1.7953 1.9882 1.9882 2.0707 2.0707 2.2542 2.2542 9.6508 9.6508 10.8418 10.8418 12.7110 12.7110 13.7305 13.7305 k = 0.0811 0.5000-0.0000 ( 3280 PWs) bands (ev): -23.9731 -23.9731 -17.3212 -17.3212 -17.1113 -17.1113 -17.0922 -17.0922 -7.6225 -7.6225 -7.3664 -7.3664 -7.3437 -7.3437 -2.7410 -2.7410 -1.6951 -1.6951 -1.6353 -1.6353 -1.2075 -1.2075 -0.8515 -0.8515 0.2754 0.2754 0.3873 0.3873 1.1714 1.1714 1.6482 1.6482 1.7059 1.7059 1.7981 1.7981 1.9908 1.9908 2.0704 2.0704 2.3038 2.3038 9.6670 9.6670 10.8602 10.8602 12.7245 12.7245 13.7158 13.7158 k = 0.0946 0.5000-0.0000 ( 3282 PWs) bands (ev): -23.9730 -23.9730 -17.3188 -17.3188 -17.1114 -17.1114 -17.0924 -17.0924 -7.6230 -7.6230 -7.3671 -7.3671 -7.3441 -7.3441 -2.7423 -2.7423 -1.7068 -1.7068 -1.6390 -1.6390 -1.2167 -1.2167 -0.9073 -0.9073 0.2822 0.2822 0.4173 0.4173 1.1807 1.1807 1.6509 1.6509 1.6899 1.6899 1.8018 1.8018 1.9929 1.9929 2.0700 2.0700 2.3587 2.3587 9.6861 9.6861 10.8818 10.8818 12.7403 12.7403 13.6979 13.6979 k = 0.1081 0.5000-0.0000 ( 3286 PWs) bands (ev): -23.9729 -23.9729 -17.3160 -17.3160 -17.1115 -17.1115 -17.0927 -17.0927 -7.6235 -7.6235 -7.3678 -7.3678 -7.3445 -7.3445 -2.7439 -2.7439 -1.7206 -1.7206 -1.6432 -1.6432 -1.2277 -1.2277 -0.9643 -0.9643 0.2894 0.2894 0.4474 0.4474 1.1911 1.1911 1.6537 1.6537 1.6746 1.6746 1.8063 1.8063 1.9946 1.9946 2.0698 2.0698 2.4182 2.4182 9.7082 9.7082 10.9067 10.9067 12.7582 12.7582 13.6772 13.6772 k = 0.1216 0.5000-0.0000 ( 3294 PWs) bands (ev): -23.9727 -23.9727 -17.3130 -17.3130 -17.1116 -17.1116 -17.0930 -17.0930 -7.6242 -7.6242 -7.3687 -7.3687 -7.3449 -7.3449 -2.7458 -2.7458 -1.7366 -1.7366 -1.6481 -1.6481 -1.2410 -1.2410 -1.0206 -1.0206 0.2971 0.2971 0.4767 0.4767 1.2024 1.2024 1.6567 1.6567 1.6604 1.6604 1.8113 1.8113 1.9961 1.9961 2.0696 2.0696 2.4812 2.4812 9.7331 9.7331 10.9348 10.9348 12.7781 12.7781 13.6536 13.6536 k = 0.1351 0.5000-0.0000 ( 3294 PWs) bands (ev): -23.9726 -23.9726 -17.3097 -17.3097 -17.1117 -17.1117 -17.0933 -17.0933 -7.6249 -7.6249 -7.3696 -7.3696 -7.3453 -7.3453 -2.7479 -2.7479 -1.7551 -1.7551 -1.6536 -1.6536 -1.2575 -1.2575 -1.0740 -1.0740 0.3053 0.3053 0.5048 0.5048 1.2146 1.2146 1.6469 1.6469 1.6600 1.6600 1.8170 1.8170 1.9974 1.9974 2.0697 2.0697 2.5473 2.5473 9.7610 9.7610 10.9660 10.9660 12.8000 12.8000 13.6275 13.6275 k = 0.1486 0.5000-0.0000 ( 3300 PWs) bands (ev): -23.9724 -23.9724 -17.3060 -17.3060 -17.1119 -17.1119 -17.0936 -17.0936 -7.6256 -7.6256 -7.3707 -7.3707 -7.3457 -7.3457 -2.7504 -2.7504 -1.7762 -1.7762 -1.6598 -1.6598 -1.2783 -1.2783 -1.1218 -1.1218 0.3139 0.3139 0.5314 0.5314 1.2276 1.2276 1.6346 1.6346 1.6631 1.6631 1.8232 1.8232 1.9985 1.9985 2.0701 2.0701 2.6158 2.6158 9.7918 9.7918 11.0003 11.0003 12.8236 12.8236 13.5990 13.5990 k = 0.1622 0.5000-0.0000 ( 3292 PWs) bands (ev): -23.9722 -23.9722 -17.3021 -17.3021 -17.1120 -17.1120 -17.0940 -17.0940 -7.6264 -7.6264 -7.3719 -7.3719 -7.3460 -7.3460 -2.7531 -2.7531 -1.8001 -1.8001 -1.6668 -1.6668 -1.3046 -1.3046 -1.1618 -1.1618 0.3228 0.3228 0.5563 0.5563 1.2412 1.2412 1.6233 1.6233 1.6662 1.6662 1.8298 1.8298 1.9996 1.9996 2.0708 2.0708 2.6861 2.6861 9.8253 9.8253 11.0376 11.0376 12.8487 12.8487 13.5682 13.5682 k = 0.1757 0.5000-0.0000 ( 3292 PWs) bands (ev): -23.9720 -23.9720 -17.2980 -17.2980 -17.1122 -17.1122 -17.0944 -17.0944 -7.6273 -7.6273 -7.3733 -7.3733 -7.3463 -7.3463 -2.7563 -2.7563 -1.8270 -1.8270 -1.6747 -1.6747 -1.3363 -1.3363 -1.1932 -1.1932 0.3320 0.3320 0.5794 0.5794 1.2553 1.2553 1.6128 1.6128 1.6691 1.6691 1.8369 1.8369 2.0006 2.0006 2.0721 2.0721 2.7576 2.7576 9.8617 9.8617 11.0779 11.0779 12.8751 12.8751 13.5352 13.5352 k = 0.1892 0.5000-0.0000 ( 3296 PWs) bands (ev): -23.9718 -23.9718 -17.2937 -17.2937 -17.1123 -17.1123 -17.0949 -17.0949 -7.6282 -7.6282 -7.3747 -7.3747 -7.3466 -7.3466 -2.7599 -2.7599 -1.8571 -1.8571 -1.6835 -1.6835 -1.3710 -1.3710 -1.2174 -1.2174 0.3414 0.3414 0.6007 0.6007 1.2697 1.2697 1.6033 1.6033 1.6718 1.6718 1.8443 1.8443 2.0015 2.0015 2.0740 2.0740 2.8298 2.8298 9.9008 9.9008 11.1212 11.1212 12.9025 12.9025 13.5001 13.5001 k = 0.2027 0.5000-0.0000 ( 3298 PWs) bands (ev): -23.9716 -23.9716 -17.2892 -17.2892 -17.1125 -17.1125 -17.0955 -17.0955 -7.6291 -7.6291 -7.3762 -7.3762 -7.3468 -7.3468 -2.7639 -2.7639 -1.8904 -1.8904 -1.6934 -1.6934 -1.4057 -1.4057 -1.2364 -1.2364 0.3510 0.3510 0.6203 0.6203 1.2844 1.2844 1.5945 1.5945 1.6742 1.6742 1.8520 1.8520 2.0022 2.0022 2.0766 2.0766 2.9022 2.9022 9.9426 9.9426 11.1672 11.1672 12.9305 12.9305 13.4630 13.4630 k = 0.2162 0.5000-0.0000 ( 3298 PWs) bands (ev): -23.9714 -23.9714 -17.2845 -17.2845 -17.1127 -17.1127 -17.0961 -17.0961 -7.6301 -7.6301 -7.3778 -7.3778 -7.3470 -7.3470 -2.7684 -2.7684 -1.9265 -1.9265 -1.7041 -1.7041 -1.4382 -1.4382 -1.2524 -1.2524 0.3605 0.3605 0.6382 0.6382 1.2992 1.2992 1.5865 1.5865 1.6762 1.6762 1.8599 1.8599 2.0027 2.0027 2.0801 2.0801 2.9743 2.9743 9.9870 9.9870 11.2160 11.2160 12.9590 12.9590 13.4241 13.4241 k = 0.2297 0.5000-0.0000 ( 3302 PWs) bands (ev): -23.9712 -23.9712 -17.2796 -17.2796 -17.1129 -17.1129 -17.0967 -17.0967 -7.6311 -7.6311 -7.3794 -7.3794 -7.3471 -7.3471 -2.7735 -2.7735 -1.9652 -1.9652 -1.7159 -1.7159 -1.4674 -1.4674 -1.2664 -1.2664 0.3701 0.3701 0.6546 0.6546 1.3141 1.3141 1.5792 1.5792 1.6777 1.6777 1.8679 1.8679 2.0029 2.0029 2.0844 2.0844 3.0457 3.0457 10.0338 10.0338 11.2674 11.2674 12.9873 12.9873 13.3835 13.3835 k = 0.2432 0.5000-0.0000 ( 3302 PWs) bands (ev): -23.9709 -23.9709 -17.2747 -17.2747 -17.1131 -17.1131 -17.0974 -17.0974 -7.6322 -7.6322 -7.3811 -7.3811 -7.3472 -7.3472 -2.7791 -2.7791 -2.0056 -2.0056 -1.7283 -1.7283 -1.4927 -1.4927 -1.2790 -1.2790 0.3795 0.3795 0.6695 0.6695 1.3288 1.3288 1.5725 1.5725 1.6788 1.6788 1.8761 1.8761 2.0029 2.0029 2.0896 2.0896 3.1159 3.1159 10.0829 10.0829 11.3215 11.3215 13.0150 13.0150 13.3413 13.3413 k = 0.2568 0.5000-0.0000 ( 3298 PWs) bands (ev): -23.9707 -23.9707 -17.2697 -17.2697 -17.1133 -17.1133 -17.0981 -17.0981 -7.6332 -7.6332 -7.3828 -7.3828 -7.3472 -7.3472 -2.7854 -2.7854 -2.0469 -2.0469 -1.7412 -1.7412 -1.5145 -1.5145 -1.2905 -1.2905 0.3888 0.3888 0.6831 0.6831 1.3435 1.3435 1.5664 1.5664 1.6794 1.6794 1.8843 1.8843 2.0027 2.0027 2.0956 2.0956 3.1845 3.1845 10.1342 10.1342 11.3780 11.3780 13.0415 13.0415 13.2977 13.2977 k = 0.2703 0.5000-0.0000 ( 3302 PWs) bands (ev): -23.9705 -23.9705 -17.2646 -17.2646 -17.1135 -17.1135 -17.0989 -17.0989 -7.6343 -7.6343 -7.3845 -7.3845 -7.3473 -7.3473 -2.7924 -2.7924 -2.0886 -2.0886 -1.7544 -1.7544 -1.5331 -1.5331 -1.3013 -1.3013 0.3979 0.3979 0.6953 0.6953 1.3579 1.3579 1.5609 1.5609 1.6794 1.6794 1.8924 1.8924 2.0023 2.0023 2.1024 2.1024 3.2512 3.2512 10.1875 10.1875 11.4369 11.4369 13.0661 13.0661 13.2529 13.2529 k = 0.2838 0.5000-0.0000 ( 3298 PWs) bands (ev): -23.9703 -23.9703 -17.2595 -17.2595 -17.1137 -17.1137 -17.0998 -17.0998 -7.6353 -7.6353 -7.3863 -7.3863 -7.3472 -7.3472 -2.8001 -2.8001 -2.1296 -2.1296 -1.7676 -1.7676 -1.5490 -1.5490 -1.3112 -1.3112 0.4067 0.4067 0.7064 0.7064 1.3719 1.3719 1.5559 1.5559 1.6789 1.6789 1.9004 1.9004 2.0017 2.0017 2.1099 2.1099 3.3157 3.3157 10.2426 10.2426 11.4980 11.4980 13.0878 13.0878 13.2073 13.2073 k = 0.2973 0.5000-0.0000 ( 3294 PWs) bands (ev): -23.9701 -23.9701 -17.2544 -17.2544 -17.1139 -17.1139 -17.1007 -17.1007 -7.6363 -7.6363 -7.3880 -7.3880 -7.3472 -7.3472 -2.8086 -2.8086 -2.1693 -2.1693 -1.7807 -1.7807 -1.5625 -1.5625 -1.3205 -1.3205 0.4152 0.4152 0.7164 0.7164 1.3856 1.3856 1.5513 1.5513 1.6779 1.6779 1.9082 1.9082 2.0010 2.0010 2.1180 2.1180 3.3776 3.3776 10.2991 10.2991 11.5613 11.5613 13.1046 13.1046 13.1624 13.1624 k = 0.3108 0.5000-0.0000 ( 3290 PWs) bands (ev): -23.9698 -23.9698 -17.2494 -17.2494 -17.1141 -17.1141 -17.1016 -17.1016 -7.6373 -7.6373 -7.3896 -7.3896 -7.3471 -7.3471 -2.8179 -2.8179 -2.2071 -2.2071 -1.7934 -1.7934 -1.5742 -1.5742 -1.3290 -1.3290 0.4233 0.4233 0.7254 0.7254 1.3989 1.3989 1.5473 1.5473 1.6764 1.6764 1.9157 1.9157 2.0003 2.0003 2.1265 2.1265 3.4366 3.4366 10.3568 10.3568 11.6266 11.6266 13.0995 13.0995 13.1345 13.1345 k = 0.3243 0.5000-0.0000 ( 3282 PWs) bands (ev): -23.9696 -23.9696 -17.2444 -17.2444 -17.1144 -17.1144 -17.1026 -17.1026 -7.6383 -7.6383 -7.3912 -7.3912 -7.3471 -7.3471 -2.8278 -2.8278 -2.2425 -2.2425 -1.8057 -1.8057 -1.5844 -1.5844 -1.3370 -1.3370 0.4310 0.4310 0.7335 0.7335 1.4117 1.4117 1.5437 1.5437 1.6745 1.6745 1.9229 1.9229 1.9996 1.9996 2.1352 2.1352 3.4925 3.4925 10.4153 10.4153 11.6938 11.6938 13.0574 13.0574 13.1382 13.1382 k = 0.3378 0.5000-0.0000 ( 3282 PWs) bands (ev): -23.9694 -23.9694 -17.2395 -17.2395 -17.1146 -17.1146 -17.1036 -17.1036 -7.6393 -7.6393 -7.3928 -7.3928 -7.3470 -7.3470 -2.8384 -2.8384 -2.2752 -2.2752 -1.8174 -1.8174 -1.5934 -1.5934 -1.3444 -1.3444 0.4383 0.4383 0.7407 0.7407 1.4239 1.4239 1.5405 1.5405 1.6721 1.6721 1.9296 1.9296 1.9990 1.9990 2.1440 2.1440 3.5450 3.5450 10.4742 10.4742 11.7628 11.7628 13.0095 13.0095 13.1417 13.1417 k = 0.3514 0.5000-0.0000 ( 3272 PWs) bands (ev): -23.9692 -23.9692 -17.2349 -17.2349 -17.1149 -17.1149 -17.1046 -17.1046 -7.6402 -7.6402 -7.3943 -7.3943 -7.3469 -7.3469 -2.8494 -2.8494 -2.3050 -2.3050 -1.8284 -1.8284 -1.6013 -1.6013 -1.3510 -1.3510 0.4451 0.4451 0.7471 0.7471 1.4355 1.4355 1.5377 1.5377 1.6694 1.6694 1.9358 1.9358 1.9985 1.9985 2.1528 2.1528 3.5940 3.5940 10.5331 10.5331 11.8333 11.8333 12.9609 12.9609 13.1397 13.1397 k = 0.3649 0.5000-0.0000 ( 3268 PWs) bands (ev): -23.9691 -23.9691 -17.2303 -17.2303 -17.1152 -17.1152 -17.1056 -17.1056 -7.6410 -7.6410 -7.3957 -7.3957 -7.3468 -7.3468 -2.8609 -2.8609 -2.3317 -2.3317 -1.8387 -1.8387 -1.6083 -1.6083 -1.3571 -1.3571 0.4514 0.4514 0.7528 0.7528 1.4464 1.4464 1.5355 1.5355 1.6663 1.6663 1.9414 1.9414 1.9982 1.9982 2.1614 2.1614 3.6393 3.6393 10.5912 10.5912 11.9052 11.9052 12.9125 12.9125 13.1308 13.1308 k = 0.3784 0.5000-0.0000 ( 3272 PWs) bands (ev): -23.9689 -23.9689 -17.2261 -17.2261 -17.1155 -17.1155 -17.1066 -17.1066 -7.6419 -7.6419 -7.3970 -7.3970 -7.3467 -7.3467 -2.8724 -2.8724 -2.3553 -2.3553 -1.8482 -1.8482 -1.6145 -1.6145 -1.3626 -1.3626 0.4571 0.4571 0.7578 0.7578 1.4565 1.4565 1.5336 1.5336 1.6630 1.6630 1.9463 1.9463 1.9982 1.9982 2.1696 2.1696 3.6806 3.6806 10.6481 10.6481 11.9782 11.9782 12.8649 12.8649 13.1147 13.1147 k = 0.3919 0.5000-0.0000 ( 3270 PWs) bands (ev): -23.9688 -23.9688 -17.2221 -17.2221 -17.1158 -17.1158 -17.1075 -17.1075 -7.6426 -7.6426 -7.3981 -7.3981 -7.3466 -7.3466 -2.8838 -2.8838 -2.3759 -2.3759 -1.8568 -1.8568 -1.6200 -1.6200 -1.3675 -1.3675 0.4623 0.4623 0.7622 0.7622 1.4657 1.4657 1.5323 1.5323 1.6595 1.6595 1.9505 1.9505 1.9985 1.9985 2.1774 2.1774 3.7180 3.7180 10.7029 10.7029 12.0522 12.0522 12.8189 12.8189 13.0909 13.0909 k = 0.4054 0.5000-0.0000 ( 3266 PWs) bands (ev): -23.9686 -23.9686 -17.2184 -17.2184 -17.1162 -17.1162 -17.1084 -17.1084 -7.6433 -7.6433 -7.3992 -7.3992 -7.3465 -7.3465 -2.8947 -2.8947 -2.3935 -2.3935 -1.8644 -1.8644 -1.6248 -1.6248 -1.3718 -1.3718 0.4670 0.4670 0.7660 0.7660 1.4740 1.4740 1.5315 1.5315 1.6560 1.6560 1.9539 1.9539 1.9990 1.9990 2.1845 2.1845 3.7512 3.7512 10.7549 10.7549 12.1268 12.1268 12.7752 12.7752 13.0597 13.0597 k = 0.4189 0.5000-0.0000 ( 3270 PWs) bands (ev): -23.9685 -23.9685 -17.2151 -17.2151 -17.1166 -17.1166 -17.1091 -17.1091 -7.6439 -7.6439 -7.4002 -7.4002 -7.3464 -7.3464 -2.9050 -2.9050 -2.4083 -2.4083 -1.8711 -1.8711 -1.6289 -1.6289 -1.3755 -1.3755 0.4710 0.4710 0.7692 0.7692 1.4810 1.4810 1.5313 1.5313 1.6524 1.6524 1.9567 1.9567 1.9997 1.9997 2.1910 2.1910 3.7802 3.7802 10.8031 10.8031 12.2017 12.2017 12.7347 12.7347 13.0212 13.0212 k = 0.4324 0.5000-0.0000 ( 3270 PWs) bands (ev): -23.9684 -23.9684 -17.2121 -17.2121 -17.1170 -17.1170 -17.1098 -17.1098 -7.6444 -7.6444 -7.4010 -7.4010 -7.3463 -7.3463 -2.9142 -2.9142 -2.4205 -2.4205 -1.8768 -1.8768 -1.6324 -1.6324 -1.3786 -1.3786 0.4744 0.4744 0.7718 0.7718 1.4868 1.4868 1.5316 1.5316 1.6490 1.6490 1.9588 1.9588 2.0006 2.0006 2.1966 2.1966 3.8048 3.8048 10.8465 10.8465 12.2762 12.2762 12.6983 12.6983 12.9761 12.9761 k = 0.4459 0.5000-0.0000 ( 3262 PWs) bands (ev): -23.9683 -23.9683 -17.2097 -17.2097 -17.1175 -17.1175 -17.1103 -17.1103 -7.6448 -7.6448 -7.4016 -7.4016 -7.3462 -7.3462 -2.9221 -2.9221 -2.4302 -2.4302 -1.8814 -1.8814 -1.6352 -1.6352 -1.3811 -1.3811 0.4773 0.4773 0.7741 0.7741 1.4913 1.4913 1.5325 1.5325 1.6459 1.6459 1.9604 1.9604 2.0016 2.0016 2.2013 2.2013 3.8250 3.8250 10.8841 10.8841 12.3497 12.3497 12.6676 12.6676 12.9252 12.9252 k = 0.4595 0.5000-0.0000 ( 3260 PWs) bands (ev): -23.9682 -23.9682 -17.2077 -17.2077 -17.1178 -17.1178 -17.1106 -17.1106 -7.6451 -7.6451 -7.4021 -7.4021 -7.3462 -7.3462 -2.9285 -2.9285 -2.4376 -2.4376 -1.8851 -1.8851 -1.6374 -1.6374 -1.3831 -1.3831 0.4795 0.4795 0.7757 0.7757 1.4945 1.4945 1.5337 1.5337 1.6433 1.6433 1.9615 1.9615 2.0024 2.0024 2.2050 2.2050 3.8409 3.8409 10.9147 10.9147 12.4203 12.4203 12.6443 12.6443 12.8696 12.8696 k = 0.4730 0.5000-0.0000 ( 3264 PWs) bands (ev): -23.9682 -23.9682 -17.2062 -17.2062 -17.1181 -17.1181 -17.1109 -17.1109 -7.6454 -7.6454 -7.4025 -7.4025 -7.3462 -7.3462 -2.9332 -2.9332 -2.4428 -2.4428 -1.8878 -1.8878 -1.6390 -1.6390 -1.3845 -1.3845 0.4810 0.4810 0.7769 0.7769 1.4967 1.4967 1.5349 1.5349 1.6412 1.6412 1.9622 1.9622 2.0031 2.0031 2.2077 2.2077 3.8522 3.8522 10.9374 10.9374 12.4841 12.4841 12.6323 12.6323 12.8108 12.8108 k = 0.4865 0.5000-0.0000 ( 3276 PWs) bands (ev): -23.9682 -23.9682 -17.2054 -17.2054 -17.1183 -17.1183 -17.1111 -17.1111 -7.6456 -7.6456 -7.4028 -7.4028 -7.3461 -7.3461 -2.9361 -2.9361 -2.4459 -2.4459 -1.8894 -1.8894 -1.6400 -1.6400 -1.3854 -1.3854 0.4820 0.4820 0.7776 0.7776 1.4978 1.4978 1.5358 1.5358 1.6399 1.6399 1.9625 1.9625 2.0036 2.0036 2.2094 2.2094 3.8589 3.8589 10.9514 10.9514 12.5294 12.5294 12.6410 12.6410 12.7521 12.7521 k = 0.5000 0.5000-0.0000 ( 3276 PWs) bands (ev): -23.9682 -23.9682 -17.2051 -17.2051 -17.1184 -17.1184 -17.1111 -17.1111 -7.6456 -7.6456 -7.4029 -7.4029 -7.3461 -7.3461 -2.9370 -2.9370 -2.4469 -2.4469 -1.8900 -1.8900 -1.6403 -1.6403 -1.3857 -1.3857 0.4823 0.4823 0.7778 0.7778 1.4982 1.4982 1.5361 1.5361 1.6394 1.6394 1.9627 1.9627 2.0037 2.0037 2.2099 2.2099 3.8612 3.8612 10.9561 10.9561 12.5438 12.5438 12.6639 12.6639 12.7132 12.7132 k = 0.5000 0.5000-0.0000 ( 3276 PWs) bands (ev): -23.9682 -23.9682 -17.2051 -17.2051 -17.1184 -17.1184 -17.1111 -17.1111 -7.6456 -7.6456 -7.4029 -7.4029 -7.3461 -7.3461 -2.9370 -2.9370 -2.4469 -2.4469 -1.8900 -1.8900 -1.6403 -1.6403 -1.3857 -1.3857 0.4823 0.4823 0.7778 0.7778 1.4982 1.4982 1.5361 1.5361 1.6394 1.6394 1.9627 1.9627 2.0037 2.0037 2.2099 2.2099 3.8612 3.8612 10.9561 10.9561 12.5438 12.5438 12.6639 12.6639 12.7132 12.7132 k = 0.4904 0.4904-0.0000 ( 3276 PWs) bands (ev): -23.9682 -23.9682 -17.2054 -17.2054 -17.1183 -17.1183 -17.1111 -17.1111 -7.6456 -7.6456 -7.4028 -7.4028 -7.3461 -7.3461 -2.9361 -2.9361 -2.4459 -2.4459 -1.8894 -1.8894 -1.6400 -1.6400 -1.3854 -1.3854 0.4820 0.4820 0.7776 0.7776 1.4978 1.4978 1.5358 1.5358 1.6399 1.6399 1.9625 1.9625 2.0036 2.0036 2.2093 2.2093 3.8589 3.8589 10.9513 10.9513 12.5300 12.5300 12.6395 12.6395 12.7530 12.7530 k = 0.4808 0.4808-0.0000 ( 3265 PWs) bands (ev): -23.9682 -23.9682 -17.2063 -17.2063 -17.1181 -17.1181 -17.1109 -17.1109 -7.6454 -7.6454 -7.4025 -7.4025 -7.3462 -7.3462 -2.9331 -2.9331 -2.4428 -2.4428 -1.8877 -1.8877 -1.6390 -1.6390 -1.3845 -1.3845 0.4810 0.4810 0.7769 0.7769 1.4967 1.4967 1.5349 1.5349 1.6412 1.6412 1.9622 1.9622 2.0031 2.0031 2.2077 2.2077 3.8521 3.8521 10.9369 10.9369 12.4907 12.4907 12.6221 12.6221 12.8148 12.8148 k = 0.4712 0.4712-0.0000 ( 3267 PWs) bands (ev): -23.9682 -23.9682 -17.2077 -17.2077 -17.1178 -17.1178 -17.1106 -17.1106 -7.6451 -7.6451 -7.4022 -7.4022 -7.3462 -7.3462 -2.9282 -2.9282 -2.4377 -2.4377 -1.8851 -1.8851 -1.6374 -1.6374 -1.3831 -1.3831 0.4794 0.4794 0.7757 0.7757 1.4948 1.4948 1.5334 1.5334 1.6433 1.6433 1.9615 1.9615 2.0023 2.0023 2.2049 2.2049 3.8406 3.8406 10.9127 10.9127 12.4392 12.4392 12.6181 12.6181 12.8787 12.8787 k = 0.4615 0.4615-0.0000 ( 3259 PWs) bands (ev): -23.9683 -23.9683 -17.2097 -17.2097 -17.1174 -17.1174 -17.1103 -17.1103 -7.6448 -7.6448 -7.4016 -7.4016 -7.3462 -7.3462 -2.9213 -2.9213 -2.4305 -2.4305 -1.8814 -1.8814 -1.6350 -1.6350 -1.3810 -1.3810 0.4772 0.4772 0.7740 0.7740 1.4922 1.4922 1.5317 1.5317 1.6460 1.6460 1.9607 1.9607 2.0012 2.0012 2.2010 2.2010 3.8247 3.8247 10.8787 10.8787 12.3864 12.3864 12.6201 12.6201 12.9411 12.9411 k = 0.4519 0.4519-0.0000 ( 3263 PWs) bands (ev): -23.9684 -23.9684 -17.2123 -17.2123 -17.1169 -17.1169 -17.1098 -17.1098 -7.6444 -7.6444 -7.4009 -7.4009 -7.3463 -7.3463 -2.9125 -2.9125 -2.4213 -2.4213 -1.8766 -1.8766 -1.6322 -1.6322 -1.3785 -1.3785 0.4744 0.4744 0.7718 0.7718 1.4888 1.4888 1.5298 1.5298 1.6492 1.6492 1.9595 1.9595 1.9998 1.9998 2.1961 2.1961 3.8044 3.8044 10.8350 10.8350 12.3370 12.3370 12.6251 12.6251 13.0003 13.0003 k = 0.4423 0.4423-0.0000 ( 3263 PWs) bands (ev): -23.9685 -23.9685 -17.2153 -17.2153 -17.1164 -17.1164 -17.1092 -17.1092 -7.6439 -7.6439 -7.4001 -7.4001 -7.3464 -7.3464 -2.9017 -2.9017 -2.4102 -2.4102 -1.8708 -1.8708 -1.6287 -1.6287 -1.3755 -1.3755 0.4709 0.4709 0.7691 0.7691 1.4848 1.4848 1.5278 1.5278 1.6527 1.6527 1.9581 1.9581 1.9981 1.9981 2.1901 2.1901 3.7797 3.7797 10.7816 10.7816 12.2931 12.2931 12.6318 12.6318 13.0551 13.0551 k = 0.4327 0.4327-0.0000 ( 3261 PWs) bands (ev): -23.9686 -23.9686 -17.2187 -17.2187 -17.1159 -17.1159 -17.1085 -17.1085 -7.6433 -7.6433 -7.3992 -7.3992 -7.3465 -7.3465 -2.8890 -2.8890 -2.3972 -2.3972 -1.8639 -1.8639 -1.6245 -1.6245 -1.3718 -1.3718 0.4668 0.4668 0.7659 0.7659 1.4803 1.4803 1.5259 1.5259 1.6564 1.6564 1.9565 1.9565 1.9961 1.9961 2.1831 2.1831 3.7509 3.7509 10.7190 10.7190 12.2554 12.2554 12.6396 12.6396 13.1051 13.1051 k = 0.4231 0.4231-0.0000 ( 3261 PWs) bands (ev): -23.9688 -23.9688 -17.2226 -17.2226 -17.1154 -17.1154 -17.1078 -17.1078 -7.6426 -7.6426 -7.3981 -7.3981 -7.3466 -7.3466 -2.8744 -2.8744 -2.3823 -2.3823 -1.8561 -1.8561 -1.6196 -1.6196 -1.3677 -1.3677 0.4622 0.4622 0.7622 0.7622 1.4754 1.4754 1.5240 1.5240 1.6601 1.6601 1.9546 1.9546 1.9939 1.9939 2.1751 2.1751 3.7180 3.7180 10.6477 10.6477 12.2242 12.2242 12.6479 12.6479 13.1497 13.1497 k = 0.4135 0.4135-0.0000 ( 3265 PWs) bands (ev): -23.9689 -23.9689 -17.2268 -17.2268 -17.1148 -17.1148 -17.1070 -17.1070 -7.6419 -7.6419 -7.3969 -7.3969 -7.3467 -7.3467 -2.8579 -2.8579 -2.3655 -2.3655 -1.8473 -1.8473 -1.6141 -1.6141 -1.3630 -1.3630 0.4569 0.4569 0.7578 0.7578 1.4704 1.4704 1.5221 1.5221 1.6639 1.6639 1.9525 1.9525 1.9913 1.9913 2.1661 2.1661 3.6812 3.6812 10.5685 10.5685 12.1994 12.1994 12.6565 12.6565 13.1889 13.1889 k = 0.4038 0.4038-0.0000 ( 3261 PWs) bands (ev): -23.9691 -23.9691 -17.2313 -17.2313 -17.1143 -17.1143 -17.1061 -17.1061 -7.6411 -7.6411 -7.3957 -7.3957 -7.3468 -7.3468 -2.8394 -2.8394 -2.3470 -2.3470 -1.8375 -1.8375 -1.6079 -1.6079 -1.3578 -1.3578 0.4512 0.4512 0.7529 0.7529 1.4654 1.4654 1.5201 1.5201 1.6676 1.6676 1.9502 1.9502 1.9885 1.9885 2.1562 2.1562 3.6408 3.6408 10.4824 10.4824 12.1806 12.1806 12.6649 12.6649 13.2227 13.2227 k = 0.3942 0.3942-0.0000 ( 3261 PWs) bands (ev): -23.9693 -23.9693 -17.2361 -17.2361 -17.1138 -17.1138 -17.1053 -17.1053 -7.6402 -7.6402 -7.3943 -7.3943 -7.3470 -7.3470 -2.8191 -2.8191 -2.3269 -2.3269 -1.8268 -1.8268 -1.6010 -1.6010 -1.3521 -1.3521 0.4449 0.4449 0.7474 0.7474 1.4605 1.4605 1.5181 1.5181 1.6711 1.6711 1.9476 1.9476 1.9855 1.9855 2.1454 2.1454 3.5967 3.5967 10.3901 10.3901 12.1672 12.1672 12.6726 12.6726 13.2514 13.2514 k = 0.3846 0.3846-0.0000 ( 3257 PWs) bands (ev): -23.9695 -23.9695 -17.2412 -17.2412 -17.1133 -17.1133 -17.1044 -17.1044 -7.6394 -7.6394 -7.3928 -7.3928 -7.3471 -7.3471 -2.7970 -2.7970 -2.3051 -2.3051 -1.8152 -1.8152 -1.5933 -1.5933 -1.3459 -1.3459 0.4380 0.4380 0.7413 0.7413 1.4560 1.4560 1.5159 1.5159 1.6746 1.6746 1.9448 1.9448 1.9823 1.9823 2.1338 2.1338 3.5493 3.5493 10.2926 10.2926 12.1584 12.1584 12.6792 12.6792 13.2751 13.2751 k = 0.3750 0.3750-0.0000 ( 3275 PWs) bands (ev): -23.9697 -23.9697 -17.2465 -17.2465 -17.1127 -17.1127 -17.1036 -17.1036 -7.6385 -7.6385 -7.3914 -7.3914 -7.3473 -7.3473 -2.7731 -2.7731 -2.2819 -2.2819 -1.8028 -1.8028 -1.5851 -1.5851 -1.3393 -1.3393 0.4308 0.4308 0.7344 0.7344 1.4518 1.4518 1.5134 1.5134 1.6778 1.6778 1.9417 1.9417 1.9788 1.9788 2.1214 2.1214 3.4988 3.4988 10.1908 10.1908 12.1536 12.1536 12.6844 12.6844 13.2939 13.2939 k = 0.3654 0.3654-0.0000 ( 3275 PWs) bands (ev): -23.9700 -23.9700 -17.2521 -17.2521 -17.1122 -17.1122 -17.1028 -17.1028 -7.6375 -7.6375 -7.3898 -7.3898 -7.3474 -7.3474 -2.7473 -2.7473 -2.2573 -2.2573 -1.7896 -1.7896 -1.5759 -1.5759 -1.3321 -1.3321 0.4230 0.4230 0.7269 0.7269 1.4482 1.4482 1.5108 1.5108 1.6810 1.6810 1.9385 1.9385 1.9751 1.9751 2.1084 2.1084 3.4453 3.4453 10.0855 10.0855 12.1523 12.1523 12.6878 12.6878 13.3082 13.3082 k = 0.3558 0.3558-0.0000 ( 3277 PWs) bands (ev): -23.9702 -23.9702 -17.2578 -17.2578 -17.1117 -17.1117 -17.1020 -17.1020 -7.6366 -7.6366 -7.3882 -7.3882 -7.3476 -7.3476 -2.7198 -2.7198 -2.2314 -2.2314 -1.7756 -1.7756 -1.5659 -1.5659 -1.3246 -1.3246 0.4148 0.4148 0.7188 0.7188 1.4451 1.4451 1.5078 1.5078 1.6840 1.6840 1.9350 1.9350 1.9713 1.9713 2.0946 2.0946 3.3892 3.3892 9.9774 9.9774 12.1536 12.1536 12.6890 12.6890 13.3181 13.3181 k = 0.3462 0.3462-0.0000 ( 3281 PWs) bands (ev): -23.9705 -23.9705 -17.2636 -17.2636 -17.1111 -17.1111 -17.1013 -17.1013 -7.6357 -7.6357 -7.3866 -7.3866 -7.3478 -7.3478 -2.6906 -2.6906 -2.2043 -2.2043 -1.7608 -1.7608 -1.5551 -1.5551 -1.3166 -1.3166 0.4062 0.4062 0.7099 0.7099 1.4427 1.4427 1.5046 1.5046 1.6869 1.6869 1.9313 1.9313 1.9674 1.9674 2.0803 2.0803 3.3307 3.3307 9.8670 9.8670 12.1572 12.1572 12.6878 12.6878 13.3235 13.3235 k = 0.3365 0.3365-0.0000 ( 3289 PWs) bands (ev): -23.9708 -23.9708 -17.2696 -17.2696 -17.1106 -17.1106 -17.1006 -17.1006 -7.6347 -7.6347 -7.3850 -7.3850 -7.3479 -7.3479 -2.6596 -2.6596 -2.1762 -2.1762 -1.7454 -1.7454 -1.5434 -1.5434 -1.3082 -1.3082 0.3973 0.3973 0.7004 0.7004 1.4409 1.4409 1.5011 1.5011 1.6895 1.6895 1.9273 1.9273 1.9633 1.9633 2.0655 2.0655 3.2700 3.2700 9.7550 9.7550 12.1624 12.1624 12.6839 12.6839 13.3245 13.3245 k = 0.3269 0.3269-0.0000 ( 3289 PWs) bands (ev): -23.9711 -23.9711 -17.2757 -17.2757 -17.1100 -17.1100 -17.1000 -17.1000 -7.6338 -7.6338 -7.3833 -7.3833 -7.3481 -7.3481 -2.6270 -2.6270 -2.1473 -2.1473 -1.7292 -1.7292 -1.5306 -1.5306 -1.2993 -1.2993 0.3880 0.3880 0.6901 0.6901 1.4396 1.4396 1.4973 1.4973 1.6921 1.6921 1.9231 1.9231 1.9592 1.9592 2.0503 2.0503 3.2074 3.2074 9.6418 9.6418 12.1688 12.1688 12.6772 12.6772 13.3212 13.3212 k = 0.3173 0.3173-0.0000 ( 3281 PWs) bands (ev): -23.9714 -23.9714 -17.2819 -17.2819 -17.1094 -17.1094 -17.0994 -17.0994 -7.6328 -7.6328 -7.3817 -7.3817 -7.3482 -7.3482 -2.5927 -2.5927 -2.1176 -2.1176 -1.7124 -1.7124 -1.5168 -1.5168 -1.2901 -1.2901 0.3784 0.3784 0.6792 0.6792 1.4386 1.4386 1.4935 1.4935 1.6947 1.6947 1.9187 1.9187 1.9550 1.9550 2.0348 2.0348 3.1433 3.1433 9.5278 9.5278 12.1760 12.1760 12.6676 12.6676 13.3134 13.3134 k = 0.3077 0.3077-0.0000 ( 3273 PWs) bands (ev): -23.9717 -23.9717 -17.2882 -17.2882 -17.1088 -17.1088 -17.0989 -17.0989 -7.6319 -7.6319 -7.3801 -7.3801 -7.3484 -7.3484 -2.5570 -2.5570 -2.0875 -2.0875 -1.6950 -1.6950 -1.5018 -1.5018 -1.2804 -1.2804 0.3685 0.3685 0.6677 0.6677 1.4374 1.4374 1.4899 1.4899 1.6971 1.6971 1.9141 1.9141 1.9507 1.9507 2.0190 2.0190 3.0778 3.0778 9.4134 9.4134 12.1836 12.1836 12.6550 12.6550 13.3011 13.3011 k = 0.2981 0.2981-0.0000 ( 3261 PWs) bands (ev): -23.9721 -23.9721 -17.2945 -17.2945 -17.1082 -17.1082 -17.0984 -17.0984 -7.6310 -7.6310 -7.3785 -7.3785 -7.3485 -7.3485 -2.5196 -2.5196 -2.0570 -2.0570 -1.6771 -1.6771 -1.4856 -1.4856 -1.2705 -1.2705 0.3584 0.3584 0.6554 0.6554 1.4352 1.4352 1.4873 1.4873 1.6996 1.6996 1.9093 1.9093 1.9464 1.9464 2.0032 2.0032 3.0113 3.0113 9.2988 9.2988 12.1912 12.1912 12.6396 12.6396 13.2844 13.2844 k = 0.2885 0.2885-0.0000 ( 3265 PWs) bands (ev): -23.9724 -23.9724 -17.3008 -17.3008 -17.1076 -17.1076 -17.0980 -17.0980 -7.6302 -7.6302 -7.3770 -7.3770 -7.3487 -7.3487 -2.4810 -2.4810 -2.0264 -2.0264 -1.6587 -1.6587 -1.4683 -1.4683 -1.2603 -1.2603 0.3481 0.3481 0.6424 0.6424 1.4311 1.4311 1.4863 1.4863 1.7020 1.7020 1.9042 1.9042 1.9421 1.9421 1.9875 1.9875 2.9441 2.9441 9.1845 9.1845 12.1987 12.1987 12.6213 12.6213 13.2635 13.2635 k = 0.2788 0.2788-0.0000 ( 3265 PWs) bands (ev): -23.9727 -23.9727 -17.3072 -17.3072 -17.1070 -17.1070 -17.0976 -17.0976 -7.6294 -7.6294 -7.3756 -7.3756 -7.3489 -7.3489 -2.4410 -2.4410 -1.9960 -1.9960 -1.6397 -1.6397 -1.4495 -1.4495 -1.2498 -1.2498 0.3376 0.3376 0.6287 0.6287 1.4242 1.4242 1.4877 1.4877 1.7044 1.7044 1.8989 1.8989 1.9377 1.9377 1.9719 1.9719 2.8766 2.8766 9.0707 9.0707 12.2056 12.2056 12.6005 12.6005 13.2387 13.2387 k = 0.2692 0.2692-0.0000 ( 3261 PWs) bands (ev): -23.9731 -23.9731 -17.3135 -17.3135 -17.1064 -17.1064 -17.0973 -17.0973 -7.6287 -7.6287 -7.3742 -7.3742 -7.3491 -7.3491 -2.3997 -2.3997 -1.9658 -1.9658 -1.6202 -1.6202 -1.4292 -1.4292 -1.2390 -1.2390 0.3271 0.3271 0.6144 0.6144 1.4140 1.4140 1.4917 1.4917 1.7068 1.7068 1.8934 1.8934 1.9332 1.9332 1.9569 1.9569 2.8090 2.8090 8.9575 8.9575 12.2117 12.2117 12.5773 12.5773 13.2103 13.2103 k = 0.2596 0.2596-0.0000 ( 3265 PWs) bands (ev): -23.9734 -23.9734 -17.3198 -17.3198 -17.1058 -17.1058 -17.0970 -17.0970 -7.6280 -7.6280 -7.3729 -7.3729 -7.3493 -7.3493 -2.3574 -2.3574 -1.9362 -1.9362 -1.6002 -1.6002 -1.4075 -1.4075 -1.2281 -1.2281 0.3163 0.3163 0.5994 0.5994 1.4006 1.4006 1.4980 1.4980 1.7093 1.7093 1.8876 1.8876 1.9283 1.9283 1.9428 1.9428 2.7419 2.7419 8.8454 8.8454 12.2168 12.2168 12.5520 12.5520 13.1791 13.1791 k = 0.2500 0.2500-0.0000 ( 3265 PWs) bands (ev): -23.9738 -23.9738 -17.3261 -17.3261 -17.1052 -17.1052 -17.0967 -17.0967 -7.6274 -7.6274 -7.3716 -7.3716 -7.3495 -7.3495 -2.3140 -2.3140 -1.9074 -1.9074 -1.5795 -1.5795 -1.3841 -1.3841 -1.2170 -1.2170 0.3056 0.3056 0.5838 0.5838 1.3839 1.3839 1.5062 1.5062 1.7119 1.7119 1.8816 1.8816 1.9215 1.9215 1.9312 1.9312 2.6755 2.6755 8.7343 8.7343 12.2206 12.2206 12.5248 12.5248 13.1455 13.1455 k = 0.2404 0.2404-0.0000 ( 3261 PWs) bands (ev): -23.9742 -23.9742 -17.3323 -17.3323 -17.1046 -17.1046 -17.0965 -17.0965 -7.6268 -7.6268 -7.3704 -7.3704 -7.3497 -7.3497 -2.2698 -2.2698 -1.8795 -1.8795 -1.5582 -1.5582 -1.3591 -1.3591 -1.2056 -1.2056 0.2948 0.2948 0.5675 0.5675 1.3638 1.3638 1.5162 1.5162 1.7145 1.7145 1.8753 1.8753 1.9110 1.9110 1.9243 1.9243 2.6103 2.6103 8.6247 8.6247 12.2230 12.2230 12.4960 12.4960 13.1104 13.1104 k = 0.2308 0.2308-0.0000 ( 3257 PWs) bands (ev): -23.9745 -23.9745 -17.3384 -17.3384 -17.1039 -17.1039 -17.0963 -17.0963 -7.6262 -7.6262 -7.3693 -7.3693 -7.3499 -7.3499 -2.2249 -2.2249 -1.8527 -1.8527 -1.5362 -1.5362 -1.3324 -1.3324 -1.1941 -1.1941 0.2840 0.2840 0.5507 0.5507 1.3403 1.3403 1.5276 1.5276 1.7172 1.7172 1.8686 1.8686 1.8995 1.8995 1.9196 1.9196 2.5467 2.5467 8.5166 8.5166 12.2237 12.2237 12.4659 12.4659 13.0743 13.0743 k = 0.2212 0.2212-0.0000 ( 3261 PWs) bands (ev): -23.9749 -23.9749 -17.3444 -17.3444 -17.1033 -17.1033 -17.0962 -17.0962 -7.6257 -7.6257 -7.3683 -7.3683 -7.3502 -7.3502 -2.1795 -2.1795 -1.8272 -1.8272 -1.5133 -1.5133 -1.3043 -1.3043 -1.1825 -1.1825 0.2733 0.2733 0.5333 0.5333 1.3131 1.3131 1.5404 1.5404 1.7200 1.7200 1.8615 1.8615 1.8886 1.8886 1.9155 1.9155 2.4851 2.4851 8.4104 8.4104 12.2227 12.2227 12.4349 12.4349 13.0378 13.0378 k = 0.2115 0.2115-0.0000 ( 3255 PWs) bands (ev): -23.9752 -23.9752 -17.3503 -17.3503 -17.1027 -17.1027 -17.0960 -17.0960 -7.6253 -7.6253 -7.3673 -7.3673 -7.3505 -7.3505 -2.1338 -2.1338 -1.8030 -1.8030 -1.4894 -1.4894 -1.2746 -1.2746 -1.1708 -1.1708 0.2627 0.2627 0.5154 0.5154 1.2820 1.2820 1.5544 1.5544 1.7230 1.7230 1.8541 1.8541 1.8788 1.8788 1.9117 1.9117 2.4259 2.4259 8.3061 8.3061 12.2197 12.2197 12.4031 12.4031 13.0017 13.0017 k = 0.2019 0.2019-0.0000 ( 3261 PWs) bands (ev): -23.9756 -23.9756 -17.3561 -17.3561 -17.1022 -17.1022 -17.0959 -17.0959 -7.6249 -7.6249 -7.3664 -7.3664 -7.3508 -7.3508 -2.0882 -2.0882 -1.7804 -1.7804 -1.4643 -1.4643 -1.2438 -1.2438 -1.1588 -1.1588 0.2521 0.2521 0.4969 0.4969 1.2468 1.2468 1.5695 1.5695 1.7260 1.7260 1.8464 1.8464 1.8701 1.8701 1.9080 1.9080 2.3693 2.3693 8.2041 8.2041 12.2147 12.2147 12.3710 12.3710 12.9664 12.9664 k = 0.1923 0.1923-0.0000 ( 3255 PWs) bands (ev): -23.9760 -23.9760 -17.3617 -17.3617 -17.1016 -17.1016 -17.0958 -17.0958 -7.6246 -7.6246 -7.3656 -7.3656 -7.3512 -7.3512 -2.0428 -2.0428 -1.7592 -1.7592 -1.4379 -1.4379 -1.2121 -1.2121 -1.1463 -1.1463 0.2418 0.2418 0.4779 0.4779 1.2076 1.2076 1.5855 1.5855 1.7291 1.7291 1.8388 1.8388 1.8624 1.8624 1.9046 1.9046 2.3158 2.3158 8.1045 8.1045 12.2076 12.2076 12.3386 12.3386 12.9324 12.9324 k = 0.1827 0.1827-0.0000 ( 3259 PWs) bands (ev): -23.9763 -23.9763 -17.3672 -17.3672 -17.1010 -17.1010 -17.0957 -17.0957 -7.6243 -7.6243 -7.3648 -7.3648 -7.3516 -7.3516 -1.9981 -1.9981 -1.7395 -1.7395 -1.4099 -1.4099 -1.1806 -1.1806 -1.1327 -1.1327 0.2316 0.2316 0.4584 0.4584 1.1643 1.1643 1.6024 1.6024 1.7324 1.7324 1.8314 1.8314 1.8555 1.8555 1.9012 1.9012 2.2656 2.2656 8.0075 8.0075 12.1983 12.1983 12.3064 12.3064 12.9000 12.9000 k = 0.1731 0.1731-0.0000 ( 3255 PWs) bands (ev): -23.9767 -23.9767 -17.3725 -17.3725 -17.1004 -17.1004 -17.0956 -17.0956 -7.6241 -7.6241 -7.3641 -7.3641 -7.3520 -7.3520 -1.9545 -1.9545 -1.7212 -1.7212 -1.3801 -1.3801 -1.1516 -1.1516 -1.1156 -1.1156 0.2217 0.2217 0.4385 0.4385 1.1168 1.1168 1.6199 1.6199 1.7357 1.7357 1.8245 1.8245 1.8492 1.8492 1.8980 1.8980 2.2188 2.2188 7.9134 7.9134 12.1871 12.1871 12.2745 12.2745 12.8696 12.8696 k = 0.1635 0.1635-0.0000 ( 3255 PWs) bands (ev): -23.9770 -23.9770 -17.3775 -17.3775 -17.0999 -17.0999 -17.0955 -17.0955 -7.6239 -7.6239 -7.3634 -7.3634 -7.3524 -7.3524 -1.9122 -1.9122 -1.7043 -1.7043 -1.3482 -1.3482 -1.1298 -1.1298 -1.0908 -1.0908 0.2120 0.2120 0.4182 0.4182 1.0655 1.0655 1.6380 1.6380 1.7390 1.7390 1.8182 1.8182 1.8434 1.8434 1.8950 1.8950 2.1755 2.1755 7.8224 7.8224 12.1739 12.1739 12.2431 12.2431 12.8413 12.8413 k = 0.1538 0.1538-0.0000 ( 3257 PWs) bands (ev): -23.9773 -23.9773 -17.3824 -17.3824 -17.0994 -17.0994 -17.0955 -17.0955 -7.6238 -7.6238 -7.3628 -7.3628 -7.3529 -7.3529 -1.8719 -1.8719 -1.6888 -1.6888 -1.3139 -1.3139 -1.1147 -1.1147 -1.0589 -1.0589 0.2026 0.2026 0.3974 0.3974 1.0106 1.0106 1.6565 1.6565 1.7424 1.7424 1.8125 1.8125 1.8380 1.8380 1.8921 1.8921 2.1358 2.1358 7.7347 7.7347 12.1589 12.1589 12.2125 12.2125 12.8154 12.8154 k = 0.1442 0.1442-0.0000 ( 3261 PWs) bands (ev): -23.9776 -23.9776 -17.3870 -17.3870 -17.0989 -17.0989 -17.0954 -17.0954 -7.6237 -7.6237 -7.3623 -7.3623 -7.3533 -7.3533 -1.8337 -1.8337 -1.6746 -1.6746 -1.2772 -1.2772 -1.1026 -1.1026 -1.0241 -1.0241 0.1935 0.1935 0.3765 0.3765 0.9524 0.9524 1.6752 1.6752 1.7459 1.7459 1.8073 1.8073 1.8330 1.8330 1.8893 1.8893 2.0996 2.0996 7.6506 7.6506 12.1424 12.1424 12.1829 12.1829 12.7918 12.7918 k = 0.1346 0.1346-0.0000 ( 3261 PWs) bands (ev): -23.9779 -23.9779 -17.3914 -17.3914 -17.0984 -17.0984 -17.0953 -17.0953 -7.6237 -7.6237 -7.3618 -7.3618 -7.3538 -7.3538 -1.7980 -1.7980 -1.6615 -1.6615 -1.2376 -1.2376 -1.0918 -1.0918 -0.9882 -0.9882 0.1847 0.1847 0.3554 0.3554 0.8914 0.8914 1.6938 1.6938 1.7493 1.7493 1.8027 1.8027 1.8283 1.8283 1.8867 1.8867 2.0668 2.0668 7.5702 7.5702 12.1248 12.1248 12.1544 12.1544 12.7704 12.7704 k = 0.1250 0.1250-0.0000 ( 3265 PWs) bands (ev): -23.9782 -23.9782 -17.3956 -17.3956 -17.0980 -17.0980 -17.0953 -17.0953 -7.6237 -7.6237 -7.3613 -7.3613 -7.3543 -7.3543 -1.7651 -1.7651 -1.6497 -1.6497 -1.1954 -1.1954 -1.0818 -1.0818 -0.9520 -0.9520 0.1763 0.1763 0.3341 0.3341 0.8279 0.8279 1.7122 1.7122 1.7527 1.7527 1.7987 1.7987 1.8240 1.8240 1.8843 1.8843 2.0373 2.0373 7.4939 7.4939 12.1063 12.1063 12.1271 12.1271 12.7513 12.7513 k = 0.1154 0.1154-0.0000 ( 3261 PWs) bands (ev): -23.9785 -23.9785 -17.3995 -17.3995 -17.0976 -17.0976 -17.0953 -17.0953 -7.6237 -7.6237 -7.3609 -7.3609 -7.3548 -7.3548 -1.7351 -1.7351 -1.6388 -1.6388 -1.1506 -1.1506 -1.0723 -1.0723 -0.9161 -0.9161 0.1682 0.1682 0.3130 0.3130 0.7626 0.7626 1.7299 1.7299 1.7561 1.7561 1.7951 1.7951 1.8202 1.8202 1.8820 1.8820 2.0109 2.0109 7.4220 7.4220 12.0873 12.0873 12.1014 12.1014 12.7343 12.7343 k = 0.1058 0.1058-0.0000 ( 3267 PWs) bands (ev): -23.9787 -23.9787 -17.4031 -17.4031 -17.0972 -17.0972 -17.0952 -17.0952 -7.6237 -7.6237 -7.3605 -7.3605 -7.3553 -7.3553 -1.7081 -1.7081 -1.6291 -1.6291 -1.1039 -1.1039 -1.0629 -1.0629 -0.8808 -0.8808 0.1605 0.1605 0.2921 0.2921 0.6959 0.6959 1.7464 1.7464 1.7599 1.7599 1.7920 1.7920 1.8167 1.8167 1.8799 1.8799 1.9876 1.9876 7.3545 7.3545 12.0683 12.0683 12.0772 12.0772 12.7193 12.7193 k = 0.0962 0.0962-0.0000 ( 3267 PWs) bands (ev): -23.9790 -23.9790 -17.4065 -17.4065 -17.0968 -17.0968 -17.0952 -17.0952 -7.6237 -7.6237 -7.3602 -7.3602 -7.3558 -7.3558 -1.6841 -1.6841 -1.6203 -1.6203 -1.0635 -1.0635 -1.0456 -1.0456 -0.8465 -0.8465 0.1530 0.1530 0.2716 0.2716 0.6286 0.6286 1.7581 1.7581 1.7670 1.7670 1.7894 1.7894 1.8136 1.8136 1.8782 1.8782 1.9672 1.9672 7.2919 7.2919 12.0495 12.0495 12.0547 12.0547 12.7061 12.7061 k = 0.0865 0.0865-0.0000 ( 3267 PWs) bands (ev): -23.9792 -23.9792 -17.4096 -17.4096 -17.0965 -17.0965 -17.0951 -17.0951 -7.6238 -7.6238 -7.3599 -7.3599 -7.3563 -7.3563 -1.6629 -1.6629 -1.6124 -1.6124 -1.0512 -1.0512 -0.9992 -0.9992 -0.8135 -0.8135 0.1458 0.1458 0.2518 0.2518 0.5611 0.5611 1.7627 1.7627 1.7782 1.7782 1.7887 1.7887 1.8110 1.8110 1.8768 1.8768 1.9496 1.9496 7.2344 7.2344 12.0314 12.0314 12.0340 12.0340 12.6945 12.6945 k = 0.0769 0.0769-0.0000 ( 3267 PWs) bands (ev): -23.9794 -23.9794 -17.4123 -17.4123 -17.0962 -17.0962 -17.0951 -17.0951 -7.6238 -7.6238 -7.3596 -7.3596 -7.3567 -7.3567 -1.6445 -1.6445 -1.6054 -1.6054 -1.0440 -1.0440 -0.9473 -0.9473 -0.7822 -0.7822 0.1388 0.1388 0.2330 0.2330 0.4944 0.4944 1.7655 1.7655 1.7817 1.7817 1.7956 1.7956 1.8088 1.8088 1.8759 1.8759 1.9347 1.9347 7.1821 7.1821 12.0143 12.0143 12.0153 12.0153 12.6845 12.6845 k = 0.0673 0.0673-0.0000 ( 3263 PWs) bands (ev): -23.9795 -23.9795 -17.4148 -17.4148 -17.0959 -17.0959 -17.0951 -17.0951 -7.6239 -7.6239 -7.3593 -7.3593 -7.3571 -7.3571 -1.6287 -1.6287 -1.5993 -1.5993 -1.0379 -1.0379 -0.8945 -0.8945 -0.7530 -0.7530 0.1318 0.1318 0.2155 0.2155 0.4293 0.4293 1.7677 1.7677 1.7805 1.7805 1.8051 1.8051 1.8076 1.8076 1.8758 1.8758 1.9224 1.9224 7.1353 7.1353 11.9983 11.9983 11.9987 11.9987 12.6759 12.6759 k = 0.0577 0.0577-0.0000 ( 3265 PWs) bands (ev): -23.9797 -23.9797 -17.4170 -17.4170 -17.0956 -17.0956 -17.0950 -17.0950 -7.6240 -7.6240 -7.3591 -7.3591 -7.3575 -7.3575 -1.6153 -1.6153 -1.5941 -1.5941 -1.0327 -1.0327 -0.8424 -0.8424 -0.7265 -0.7265 0.1247 0.1247 0.1999 0.1999 0.3669 0.3669 1.7695 1.7695 1.7789 1.7789 1.8054 1.8054 1.8141 1.8141 1.8768 1.8768 1.9125 1.9125 7.0943 7.0943 11.9837 11.9837 11.9844 11.9844 12.6687 12.6687 k = 0.0481 0.0481-0.0000 ( 3253 PWs) bands (ev): -23.9798 -23.9798 -17.4188 -17.4188 -17.0954 -17.0954 -17.0950 -17.0950 -7.6240 -7.6240 -7.3589 -7.3589 -7.3578 -7.3578 -1.6041 -1.6041 -1.5897 -1.5897 -1.0282 -1.0282 -0.7921 -0.7921 -0.7027 -0.7027 0.1172 0.1172 0.1864 0.1864 0.3087 0.3087 1.7709 1.7709 1.7774 1.7774 1.8044 1.8044 1.8196 1.8196 1.8789 1.8789 1.9048 1.9048 7.0593 7.0593 11.9712 11.9712 11.9720 11.9720 12.6627 12.6627 k = 0.0385 0.0385-0.0000 ( 3253 PWs) bands (ev): -23.9799 -23.9799 -17.4203 -17.4203 -17.0953 -17.0953 -17.0950 -17.0950 -7.6241 -7.6241 -7.3588 -7.3588 -7.3580 -7.3580 -1.5952 -1.5952 -1.5861 -1.5861 -1.0246 -1.0246 -0.7456 -0.7456 -0.6824 -0.6824 0.1091 0.1091 0.1755 0.1755 0.2567 0.2567 1.7720 1.7720 1.7761 1.7761 1.8036 1.8036 1.8228 1.8228 1.8818 1.8818 1.8991 1.8991 7.0303 7.0303 11.9609 11.9609 11.9615 11.9615 12.6578 12.6578 k = 0.0288 0.0288-0.0000 ( 3257 PWs) bands (ev): -23.9800 -23.9800 -17.4215 -17.4215 -17.0951 -17.0951 -17.0950 -17.0950 -7.6241 -7.6241 -7.3587 -7.3587 -7.3583 -7.3583 -1.5884 -1.5884 -1.5834 -1.5834 -1.0218 -1.0218 -0.7049 -0.7049 -0.6661 -0.6661 0.1003 0.1003 0.1672 0.1672 0.2134 0.2134 1.7728 1.7728 1.7751 1.7751 1.8031 1.8031 1.8242 1.8242 1.8850 1.8850 1.8950 1.8950 7.0076 7.0076 11.9528 11.9528 11.9532 11.9532 12.6541 12.6541 k = 0.0192 0.0192-0.0000 ( 3257 PWs) bands (ev): -23.9801 -23.9801 -17.4223 -17.4223 -17.0950 -17.0950 -17.0950 -17.0950 -7.6242 -7.6242 -7.3586 -7.3586 -7.3584 -7.3584 -1.5836 -1.5836 -1.5814 -1.5814 -1.0198 -1.0198 -0.6726 -0.6726 -0.6541 -0.6541 0.0911 0.0911 0.1616 0.1616 0.1817 0.1817 1.7733 1.7733 1.7743 1.7743 1.8028 1.8028 1.8247 1.8247 1.8878 1.8878 1.8923 1.8923 6.9913 6.9913 11.9470 11.9470 11.9472 11.9472 12.6514 12.6514 k = 0.0096 0.0096-0.0000 ( 3243 PWs) bands (ev): -23.9801 -23.9801 -17.4228 -17.4228 -17.0950 -17.0950 -17.0949 -17.0949 -7.6242 -7.6242 -7.3585 -7.3585 -7.3585 -7.3585 -1.5807 -1.5807 -1.5801 -1.5801 -1.0185 -1.0185 -0.6515 -0.6515 -0.6467 -0.6467 0.0833 0.0833 0.1583 0.1583 0.1632 0.1632 1.7736 1.7736 1.7738 1.7738 1.8026 1.8026 1.8248 1.8248 1.8897 1.8897 1.8908 1.8908 6.9815 6.9815 11.9436 11.9436 11.9436 11.9436 12.6499 12.6499 k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -23.9801 -23.9801 -17.4230 -17.4230 -17.0949 -17.0949 -17.0949 -17.0949 -7.6242 -7.6242 -7.3585 -7.3585 -7.3585 -7.3585 -1.5797 -1.5797 -1.5797 -1.5797 -1.0180 -1.0180 -0.6442 -0.6442 -0.6442 -0.6442 0.0801 0.0801 0.1572 0.1572 0.1572 0.1572 1.7737 1.7737 1.7737 1.7737 1.8025 1.8025 1.8248 1.8248 1.8903 1.8903 1.8903 1.8903 6.9783 6.9783 11.9424 11.9424 11.9424 11.9424 12.6493 12.6493 k = 0.0000 0.0000 0.0000 ( 3239 PWs) bands (ev): -23.9801 -23.9801 -17.4230 -17.4230 -17.0949 -17.0949 -17.0949 -17.0949 -7.6242 -7.6242 -7.3585 -7.3585 -7.3585 -7.3585 -1.5797 -1.5797 -1.5797 -1.5797 -1.0180 -1.0180 -0.6442 -0.6442 -0.6442 -0.6442 0.0801 0.0801 0.1572 0.1572 0.1572 0.1572 1.7737 1.7737 1.7737 1.7737 1.8025 1.8025 1.8248 1.8248 1.8903 1.8903 1.8903 1.8903 6.9783 6.9783 11.9424 11.9424 11.9424 11.9424 12.6493 12.6493 k = 0.0079 0.0079 0.0079 ( 3245 PWs) bands (ev): -23.9801 -23.9801 -17.4228 -17.4228 -17.0949 -17.0949 -17.0949 -17.0949 -7.6242 -7.6242 -7.3585 -7.3585 -7.3585 -7.3585 -1.5805 -1.5805 -1.5804 -1.5804 -1.0185 -1.0185 -0.6493 -0.6493 -0.6492 -0.6492 0.0834 0.0834 0.1588 0.1588 0.1629 0.1629 1.7736 1.7736 1.7738 1.7738 1.8026 1.8026 1.8248 1.8248 1.8896 1.8896 1.8909 1.8909 6.9816 6.9816 11.9436 11.9436 11.9436 11.9436 12.6499 12.6499 k = 0.0159 0.0159 0.0159 ( 3257 PWs) bands (ev): -23.9801 -23.9801 -17.4223 -17.4223 -17.0950 -17.0950 -17.0950 -17.0950 -7.6242 -7.6242 -7.3586 -7.3586 -7.3584 -7.3584 -1.5828 -1.5828 -1.5823 -1.5823 -1.0198 -1.0198 -0.6640 -0.6640 -0.6638 -0.6638 0.0913 0.0913 0.1647 0.1647 0.1794 0.1794 1.7733 1.7733 1.7743 1.7743 1.8028 1.8028 1.8247 1.8247 1.8875 1.8875 1.8927 1.8927 6.9916 6.9916 11.9472 11.9472 11.9473 11.9473 12.6515 12.6515 k = 0.0238 0.0238 0.0238 ( 3257 PWs) bands (ev): -23.9800 -23.9800 -17.4214 -17.4214 -17.0951 -17.0951 -17.0950 -17.0950 -7.6241 -7.6241 -7.3587 -7.3587 -7.3583 -7.3583 -1.5865 -1.5865 -1.5855 -1.5855 -1.0219 -1.0219 -0.6870 -0.6870 -0.6866 -0.6866 0.0986 0.0986 0.1792 0.1792 0.2057 0.2057 1.7729 1.7729 1.7750 1.7750 1.8031 1.8031 1.8239 1.8239 1.8848 1.8848 1.8956 1.8956 7.0083 7.0083 11.9533 11.9533 11.9534 11.9534 12.6541 12.6541 k = 0.0317 0.0317 0.0317 ( 3251 PWs) bands (ev): -23.9799 -23.9799 -17.4202 -17.4202 -17.0952 -17.0952 -17.0951 -17.0951 -7.6241 -7.6241 -7.3588 -7.3588 -7.3580 -7.3580 -1.5916 -1.5916 -1.5901 -1.5901 -1.0247 -1.0247 -0.7170 -0.7170 -0.7160 -0.7160 0.1008 0.1008 0.2052 0.2052 0.2403 0.2403 1.7723 1.7723 1.7760 1.7760 1.8036 1.8036 1.8216 1.8216 1.8824 1.8824 1.8997 1.8997 7.0314 7.0314 11.9617 11.9617 11.9619 11.9619 12.6578 12.6578 k = 0.0397 0.0397 0.0397 ( 3248 PWs) bands (ev): -23.9798 -23.9798 -17.4187 -17.4187 -17.0953 -17.0953 -17.0952 -17.0952 -7.6240 -7.6240 -7.3590 -7.3590 -7.3577 -7.3577 -1.5984 -1.5984 -1.5959 -1.5959 -1.0285 -1.0285 -0.7522 -0.7522 -0.7505 -0.7505 0.0975 0.0975 0.2414 0.2414 0.2815 0.2815 1.7715 1.7715 1.7771 1.7771 1.8044 1.8044 1.8166 1.8166 1.8817 1.8817 1.9051 1.9051 7.0609 7.0609 11.9725 11.9725 11.9727 11.9727 12.6624 12.6624 k = 0.0476 0.0476 0.0476 ( 3254 PWs) bands (ev): -23.9797 -23.9797 -17.4168 -17.4168 -17.0954 -17.0954 -17.0953 -17.0953 -7.6240 -7.6240 -7.3592 -7.3592 -7.3574 -7.3574 -1.6069 -1.6069 -1.6031 -1.6031 -1.0331 -1.0331 -0.7914 -0.7914 -0.7886 -0.7886 0.0903 0.0903 0.2847 0.2847 0.3279 0.3279 1.7705 1.7705 1.7781 1.7781 1.8055 1.8055 1.8083 1.8083 1.8836 1.8836 1.9117 1.9117 7.0966 7.0966 11.9855 11.9855 11.9859 11.9859 12.6679 12.6679 k = 0.0556 0.0556 0.0556 ( 3266 PWs) bands (ev): -23.9795 -23.9795 -17.4146 -17.4146 -17.0956 -17.0956 -17.0954 -17.0954 -7.6239 -7.6239 -7.3594 -7.3594 -7.3571 -7.3571 -1.6170 -1.6170 -1.6118 -1.6118 -1.0386 -1.0386 -0.8334 -0.8334 -0.8291 -0.8291 0.0801 0.0801 0.3330 0.3330 0.3783 0.3783 1.7694 1.7694 1.7789 1.7789 1.7966 1.7966 1.8072 1.8072 1.8884 1.8884 1.9195 1.9195 7.1383 7.1383 12.0008 12.0008 12.0013 12.0013 12.6744 12.6744 k = 0.0635 0.0635 0.0635 ( 3266 PWs) bands (ev): -23.9793 -23.9793 -17.4120 -17.4120 -17.0958 -17.0958 -17.0955 -17.0955 -7.6239 -7.6239 -7.3597 -7.3597 -7.3566 -7.3566 -1.6286 -1.6286 -1.6220 -1.6220 -1.0449 -1.0449 -0.8770 -0.8770 -0.8711 -0.8711 0.0674 0.0674 0.3849 0.3849 0.4319 0.4319 1.7681 1.7681 1.7768 1.7768 1.7851 1.7851 1.8094 1.8094 1.8958 1.8958 1.9287 1.9287 7.1858 7.1858 12.0182 12.0182 12.0189 12.0189 12.6816 12.6816 k = 0.0714 0.0714 0.0714 ( 3260 PWs) bands (ev): -23.9791 -23.9791 -17.4092 -17.4092 -17.0960 -17.0960 -17.0956 -17.0956 -7.6238 -7.6238 -7.3600 -7.3600 -7.3562 -7.3562 -1.6420 -1.6420 -1.6337 -1.6337 -1.0520 -1.0520 -0.9214 -0.9214 -0.9135 -0.9135 0.0525 0.0525 0.4394 0.4394 0.4878 0.4878 1.7631 1.7631 1.7668 1.7668 1.7829 1.7829 1.8122 1.8122 1.9054 1.9054 1.9392 1.9392 7.2388 7.2388 12.0378 12.0378 12.0387 12.0387 12.6896 12.6896 k = 0.0794 0.0794 0.0794 ( 3266 PWs) bands (ev): -23.9789 -23.9789 -17.4060 -17.4060 -17.0962 -17.0962 -17.0958 -17.0958 -7.6238 -7.6238 -7.3604 -7.3604 -7.3557 -7.3557 -1.6573 -1.6573 -1.6471 -1.6471 -1.0602 -1.0602 -0.9662 -0.9662 -0.9560 -0.9560 0.0356 0.0356 0.4958 0.4958 0.5454 0.5454 1.7450 1.7450 1.7653 1.7653 1.7832 1.7832 1.8158 1.8158 1.9170 1.9170 1.9512 1.9512 7.2970 7.2970 12.0593 12.0593 12.0605 12.0605 12.6983 12.6983 k = 0.0873 0.0873 0.0873 ( 3263 PWs) bands (ev): -23.9787 -23.9787 -17.4025 -17.4025 -17.0965 -17.0965 -17.0959 -17.0959 -7.6238 -7.6238 -7.3608 -7.3608 -7.3552 -7.3552 -1.6744 -1.6744 -1.6621 -1.6621 -1.0697 -1.0697 -1.0107 -1.0107 -0.9976 -0.9976 0.0166 0.0166 0.5534 0.5534 0.6042 0.6042 1.7256 1.7256 1.7638 1.7638 1.7836 1.7836 1.8200 1.8200 1.9305 1.9305 1.9645 1.9645 7.3603 7.3603 12.0828 12.0828 12.0842 12.0842 12.7076 12.7076 k = 0.0952 0.0952 0.0952 ( 3263 PWs) bands (ev): -23.9784 -23.9784 -17.3987 -17.3987 -17.0967 -17.0967 -17.0961 -17.0961 -7.6238 -7.6238 -7.3613 -7.3613 -7.3547 -7.3547 -1.6934 -1.6934 -1.6790 -1.6790 -1.0814 -1.0814 -1.0545 -1.0545 -1.0369 -1.0369 -0.0044 -0.0044 0.6119 0.6119 0.6639 0.6639 1.7056 1.7056 1.7622 1.7622 1.7840 1.7840 1.8248 1.8248 1.9458 1.9458 1.9794 1.9794 7.4282 7.4282 12.1080 12.1080 12.1098 12.1098 12.7175 12.7175 k = 0.1032 0.1032 0.1032 ( 3263 PWs) bands (ev): -23.9781 -23.9781 -17.3945 -17.3945 -17.0970 -17.0970 -17.0963 -17.0963 -7.6239 -7.6239 -7.3619 -7.3619 -7.3542 -7.3542 -1.7143 -1.7143 -1.6978 -1.6978 -1.0999 -1.0999 -1.0972 -1.0972 -1.0693 -1.0693 -0.0273 -0.0273 0.6709 0.6709 0.7240 0.7240 1.6852 1.6852 1.7606 1.7606 1.7843 1.7843 1.8302 1.8302 1.9629 1.9629 1.9958 1.9958 7.5006 7.5006 12.1349 12.1349 12.1371 12.1371 12.7279 12.7279 k = 0.1111 0.1111 0.1111 ( 3263 PWs) bands (ev): -23.9778 -23.9778 -17.3901 -17.3901 -17.0974 -17.0974 -17.0965 -17.0965 -7.6240 -7.6240 -7.3625 -7.3625 -7.3538 -7.3538 -1.7371 -1.7371 -1.7185 -1.7185 -1.1386 -1.1386 -1.1306 -1.1306 -1.0888 -1.0888 -0.0521 -0.0521 0.7299 0.7299 0.7842 0.7842 1.6650 1.6650 1.7590 1.7590 1.7846 1.7846 1.8362 1.8362 1.9817 1.9817 2.0139 2.0139 7.5772 7.5772 12.1634 12.1634 12.1659 12.1659 12.7387 12.7387 k = 0.1190 0.1190 0.1190 ( 3263 PWs) bands (ev): -23.9775 -23.9775 -17.3854 -17.3854 -17.0977 -17.0977 -17.0967 -17.0967 -7.6241 -7.6241 -7.3631 -7.3631 -7.3533 -7.3533 -1.7619 -1.7619 -1.7412 -1.7412 -1.1784 -1.1784 -1.1663 -1.1663 -1.1026 -1.1026 -0.0789 -0.0789 0.7889 0.7889 0.8443 0.8443 1.6452 1.6452 1.7574 1.7574 1.7849 1.7849 1.8428 1.8428 2.0024 2.0024 2.0337 2.0337 7.6576 7.6576 12.1932 12.1932 12.1962 12.1962 12.7499 12.7499 k = 0.1270 0.1270 0.1270 ( 3260 PWs) bands (ev): -23.9772 -23.9772 -17.3804 -17.3804 -17.0980 -17.0980 -17.0969 -17.0969 -7.6243 -7.6243 -7.3639 -7.3639 -7.3529 -7.3529 -1.7884 -1.7884 -1.7659 -1.7659 -1.2165 -1.2165 -1.2021 -1.2021 -1.1155 -1.1155 -0.1075 -0.1075 0.8474 0.8474 0.9039 0.9039 1.6262 1.6262 1.7559 1.7559 1.7853 1.7853 1.8498 1.8498 2.0250 2.0250 2.0553 2.0553 7.7417 7.7417 12.2242 12.2242 12.2278 12.2278 12.7616 12.7616 k = 0.1349 0.1349 0.1349 ( 3260 PWs) bands (ev): -23.9769 -23.9769 -17.3751 -17.3751 -17.0984 -17.0984 -17.0971 -17.0971 -7.6246 -7.6246 -7.3647 -7.3647 -7.3525 -7.3525 -1.8168 -1.8168 -1.7926 -1.7926 -1.2526 -1.2526 -1.2369 -1.2369 -1.1283 -1.1283 -0.1380 -0.1380 0.9052 0.9052 0.9629 0.9629 1.6082 1.6082 1.7545 1.7545 1.7858 1.7858 1.8572 1.8572 2.0494 2.0494 2.0787 2.0787 7.8291 7.8291 12.2562 12.2562 12.2604 12.2604 12.7736 12.7736 k = 0.1429 0.1429 0.1429 ( 3266 PWs) bands (ev): -23.9765 -23.9765 -17.3696 -17.3696 -17.0987 -17.0987 -17.0973 -17.0973 -7.6250 -7.6250 -7.3656 -7.3656 -7.3523 -7.3523 -1.8468 -1.8468 -1.8211 -1.8211 -1.2868 -1.2868 -1.2705 -1.2705 -1.1414 -1.1414 -0.1703 -0.1703 0.9621 0.9621 1.0210 1.0210 1.5915 1.5915 1.7533 1.7533 1.7865 1.7865 1.8651 1.8651 2.0759 2.0759 2.1041 2.1041 7.9195 7.9195 12.2890 12.2890 12.2940 12.2940 12.7859 12.7859 k = 0.1508 0.1508 0.1508 ( 3260 PWs) bands (ev): -23.9761 -23.9761 -17.3638 -17.3638 -17.0991 -17.0991 -17.0976 -17.0976 -7.6254 -7.6254 -7.3665 -7.3665 -7.3521 -7.3521 -1.8783 -1.8783 -1.8515 -1.8515 -1.3189 -1.3189 -1.3026 -1.3026 -1.1549 -1.1549 -0.2043 -0.2043 1.0178 1.0178 1.0779 1.0779 1.5763 1.5763 1.7522 1.7522 1.7874 1.7874 1.8733 1.8733 2.1044 2.1044 2.1315 2.1315 8.0128 8.0128 12.3223 12.3223 12.3281 12.3281 12.7987 12.7987 k = 0.1587 0.1587 0.1587 ( 3260 PWs) bands (ev): -23.9758 -23.9758 -17.3578 -17.3578 -17.0995 -17.0995 -17.0978 -17.0978 -7.6259 -7.6259 -7.3676 -7.3676 -7.3520 -7.3520 -1.9111 -1.9111 -1.8836 -1.8836 -1.3492 -1.3492 -1.3334 -1.3334 -1.1687 -1.1687 -0.2399 -0.2399 1.0721 1.0721 1.1335 1.1335 1.5628 1.5628 1.7514 1.7514 1.7885 1.7885 1.8819 1.8819 2.1351 2.1351 2.1610 2.1610 8.1086 8.1086 12.3558 12.3558 12.3627 12.3627 12.8119 12.8119 k = 0.1667 0.1667 0.1667 ( 3278 PWs) bands (ev): -23.9754 -23.9754 -17.3516 -17.3516 -17.0999 -17.0999 -17.0981 -17.0981 -7.6266 -7.6266 -7.3687 -7.3687 -7.3521 -7.3521 -1.9452 -1.9452 -1.9172 -1.9172 -1.3778 -1.3778 -1.3629 -1.3629 -1.1830 -1.1830 -0.2772 -0.2772 1.1248 1.1248 1.1875 1.1875 1.5511 1.5511 1.7508 1.7508 1.7899 1.7899 1.8909 1.8909 2.1678 2.1678 2.1928 2.1928 8.2068 8.2068 12.3893 12.3893 12.3973 12.3973 12.8255 12.8255 k = 0.1746 0.1746 0.1746 ( 3254 PWs) bands (ev): -23.9750 -23.9750 -17.3451 -17.3451 -17.1003 -17.1003 -17.0983 -17.0983 -7.6272 -7.6272 -7.3699 -7.3699 -7.3522 -7.3522 -1.9800 -1.9800 -1.9519 -1.9519 -1.4044 -1.4044 -1.3909 -1.3909 -1.1974 -1.1974 -0.3159 -0.3159 1.1756 1.1756 1.2399 1.2399 1.5415 1.5415 1.7505 1.7505 1.7915 1.7915 1.9001 1.9001 2.2028 2.2028 2.2267 2.2267 8.3070 8.3070 12.4223 12.4223 12.4317 12.4317 12.8395 12.8395 k = 0.1825 0.1825 0.1825 ( 3248 PWs) bands (ev): -23.9746 -23.9746 -17.3384 -17.3384 -17.1007 -17.1007 -17.0985 -17.0985 -7.6281 -7.6281 -7.3711 -7.3711 -7.3524 -7.3524 -2.0156 -2.0156 -1.9877 -1.9877 -1.4295 -1.4295 -1.4177 -1.4177 -1.2121 -1.2121 -0.3560 -0.3560 1.2243 1.2243 1.2903 1.2903 1.5341 1.5341 1.7506 1.7506 1.7935 1.7935 1.9097 1.9097 2.2401 2.2401 2.2630 2.2630 8.4092 8.4092 12.4544 12.4544 12.4654 12.4654 12.8542 12.8542 k = 0.1905 0.1905 0.1905 ( 3254 PWs) bands (ev): -23.9742 -23.9742 -17.3315 -17.3315 -17.1011 -17.1011 -17.0988 -17.0988 -7.6290 -7.6290 -7.3725 -7.3725 -7.3529 -7.3529 -2.0519 -2.0519 -2.0243 -2.0243 -1.4534 -1.4534 -1.4436 -1.4436 -1.2271 -1.2271 -0.3973 -0.3973 1.2704 1.2704 1.3385 1.3385 1.5291 1.5291 1.7512 1.7512 1.7959 1.7959 1.9194 1.9194 2.2794 2.2794 2.3014 2.3014 8.5129 8.5129 12.4850 12.4850 12.4980 12.4980 12.8693 12.8693 k = 0.1984 0.1984 0.1984 ( 3254 PWs) bands (ev): -23.9738 -23.9738 -17.3245 -17.3245 -17.1015 -17.1015 -17.0990 -17.0990 -7.6300 -7.6300 -7.3740 -7.3740 -7.3534 -7.3534 -2.0885 -2.0885 -2.0615 -2.0615 -1.4759 -1.4759 -1.4683 -1.4683 -1.2423 -1.2423 -0.4397 -0.4397 1.3137 1.3137 1.3845 1.3845 1.5269 1.5269 1.7522 1.7522 1.7986 1.7986 1.9294 1.9294 2.3209 2.3209 2.3421 2.3421 8.6181 8.6181 12.5136 12.5136 12.5288 12.5288 12.8852 12.8852 k = 0.2063 0.2063 0.2063 ( 3248 PWs) bands (ev): -23.9734 -23.9734 -17.3173 -17.3173 -17.1019 -17.1019 -17.0993 -17.0993 -7.6311 -7.6311 -7.3755 -7.3755 -7.3542 -7.3542 -2.1253 -2.1253 -2.0990 -2.0990 -1.4973 -1.4973 -1.4920 -1.4920 -1.2576 -1.2576 -0.4830 -0.4830 1.3534 1.3534 1.4281 1.4281 1.5279 1.5279 1.7540 1.7540 1.8018 1.8018 1.9396 1.9396 2.3646 2.3646 2.3850 2.3850 8.7244 8.7244 12.5395 12.5395 12.5573 12.5573 12.9017 12.9017 k = 0.2143 0.2143 0.2143 ( 3251 PWs) bands (ev): -23.9729 -23.9729 -17.3099 -17.3099 -17.1024 -17.1024 -17.0995 -17.0995 -7.6324 -7.6324 -7.3771 -7.3771 -7.3551 -7.3551 -2.1622 -2.1622 -2.1368 -2.1368 -1.5177 -1.5177 -1.5149 -1.5149 -1.2729 -1.2729 -0.5272 -0.5272 1.3888 1.3888 1.4691 1.4691 1.5328 1.5328 1.7565 1.7565 1.8055 1.8055 1.9500 1.9500 2.4101 2.4101 2.4299 2.4299 8.8317 8.8317 12.5619 12.5619 12.5828 12.5828 12.9190 12.9190 k = 0.2222 0.2222 0.2222 ( 3251 PWs) bands (ev): -23.9725 -23.9725 -17.3024 -17.3024 -17.1028 -17.1028 -17.0998 -17.0998 -7.6338 -7.6338 -7.3789 -7.3789 -7.3562 -7.3562 -2.1990 -2.1990 -2.1746 -2.1746 -1.5372 -1.5372 -1.5369 -1.5369 -1.2883 -1.2883 -0.5720 -0.5720 1.4189 1.4189 1.5074 1.5074 1.5425 1.5425 1.7600 1.7600 1.8098 1.8098 1.9606 1.9606 2.4576 2.4576 2.4767 2.4767 8.9398 8.9398 12.5800 12.5800 12.6044 12.6044 12.9372 12.9372 k = 0.2302 0.2302 0.2302 ( 3263 PWs) bands (ev): -23.9721 -23.9721 -17.2948 -17.2948 -17.1032 -17.1032 -17.1000 -17.1000 -7.6353 -7.6353 -7.3807 -7.3807 -7.3575 -7.3575 -2.2357 -2.2357 -2.2122 -2.2122 -1.5580 -1.5580 -1.5559 -1.5559 -1.3037 -1.3037 -0.6173 -0.6173 1.4429 1.4429 1.5426 1.5426 1.5577 1.5577 1.7648 1.7648 1.8146 1.8146 1.9712 1.9712 2.5068 2.5068 2.5253 2.5253 9.0484 9.0484 12.5929 12.5929 12.6213 12.6213 12.9562 12.9562 k = 0.2381 0.2381 0.2381 ( 3257 PWs) bands (ev): -23.9717 -23.9717 -17.2871 -17.2871 -17.1036 -17.1036 -17.1002 -17.1002 -7.6369 -7.6369 -7.3825 -7.3825 -7.3590 -7.3590 -2.2719 -2.2719 -2.2496 -2.2496 -1.5783 -1.5783 -1.5739 -1.5739 -1.3190 -1.3190 -0.6630 -0.6630 1.4612 1.4612 1.5746 1.5746 1.5778 1.5778 1.7713 1.7713 1.8203 1.8203 1.9820 1.9820 2.5575 2.5575 2.5756 2.5756 9.1573 9.1573 12.5998 12.5998 12.6327 12.6327 12.9761 12.9761 k = 0.2460 0.2460 0.2460 ( 3275 PWs) bands (ev): -23.9713 -23.9713 -17.2794 -17.2794 -17.1040 -17.1040 -17.1005 -17.1005 -7.6386 -7.6386 -7.3845 -7.3845 -7.3607 -7.3607 -2.3078 -2.3078 -2.2866 -2.2866 -1.5979 -1.5979 -1.5912 -1.5912 -1.3342 -1.3342 -0.7088 -0.7088 1.4755 1.4755 1.6010 1.6010 1.6029 1.6029 1.7799 1.7799 1.8268 1.8268 1.9929 1.9929 2.6095 2.6095 2.6271 2.6271 9.2663 9.2663 12.6001 12.6001 12.6378 12.6378 12.9970 12.9970 k = 0.2540 0.2540 0.2540 ( 3269 PWs) bands (ev): -23.9709 -23.9709 -17.2715 -17.2715 -17.1044 -17.1044 -17.1007 -17.1007 -7.6404 -7.6404 -7.3865 -7.3865 -7.3625 -7.3625 -2.3430 -2.3430 -2.3230 -2.3230 -1.6166 -1.6166 -1.6079 -1.6079 -1.3491 -1.3491 -0.7547 -0.7547 1.4875 1.4875 1.6253 1.6253 1.6272 1.6272 1.7910 1.7910 1.8343 1.8343 2.0037 2.0037 2.6628 2.6628 2.6800 2.6800 9.3752 9.3752 12.5933 12.5933 12.6361 12.6361 13.0190 13.0190 k = 0.2619 0.2619 0.2619 ( 3263 PWs) bands (ev): -23.9705 -23.9705 -17.2637 -17.2637 -17.1048 -17.1048 -17.1009 -17.1009 -7.6423 -7.6423 -7.3885 -7.3885 -7.3645 -7.3645 -2.3777 -2.3777 -2.3588 -2.3588 -1.6347 -1.6347 -1.6239 -1.6239 -1.3639 -1.3639 -0.8005 -0.8005 1.4985 1.4985 1.6474 1.6474 1.6494 1.6494 1.8049 1.8049 1.8430 1.8430 2.0147 2.0147 2.7170 2.7170 2.7338 2.7338 9.4838 9.4838 12.5792 12.5792 12.6272 12.6272 13.0419 13.0419 k = 0.2698 0.2698 0.2698 ( 3263 PWs) bands (ev): -23.9701 -23.9701 -17.2558 -17.2558 -17.1052 -17.1052 -17.1011 -17.1011 -7.6443 -7.6443 -7.3907 -7.3907 -7.3668 -7.3668 -2.4117 -2.4117 -2.3939 -2.3939 -1.6520 -1.6520 -1.6394 -1.6394 -1.3784 -1.3784 -0.8460 -0.8460 1.5092 1.5092 1.6636 1.6636 1.6723 1.6723 1.8215 1.8215 1.8529 1.8529 2.0256 2.0256 2.7720 2.7720 2.7883 2.7883 9.5919 9.5919 12.5580 12.5580 12.6112 12.6112 13.0660 13.0660 k = 0.2778 0.2778 0.2778 ( 3263 PWs) bands (ev): -23.9697 -23.9697 -17.2479 -17.2479 -17.1056 -17.1056 -17.1013 -17.1013 -7.6465 -7.6465 -7.3929 -7.3929 -7.3692 -7.3692 -2.4449 -2.4449 -2.4282 -2.4282 -1.6685 -1.6685 -1.6545 -1.6545 -1.3927 -1.3927 -0.8912 -0.8912 1.5199 1.5199 1.6764 1.6764 1.6933 1.6933 1.8404 1.8404 1.8644 1.8644 2.0364 2.0364 2.8275 2.8275 2.8434 2.8434 9.6991 9.6991 12.5303 12.5303 12.5884 12.5884 13.0910 13.0910 k = 0.2857 0.2857 0.2857 ( 3269 PWs) bands (ev): -23.9694 -23.9694 -17.2400 -17.2400 -17.1060 -17.1060 -17.1015 -17.1015 -7.6487 -7.6487 -7.3951 -7.3951 -7.3718 -7.3718 -2.4774 -2.4774 -2.4618 -2.4618 -1.6843 -1.6843 -1.6690 -1.6690 -1.4066 -1.4066 -0.9358 -0.9358 1.5309 1.5309 1.6863 1.6863 1.7123 1.7123 1.8608 1.8608 1.8773 1.8773 2.0472 2.0472 2.8833 2.8833 2.8987 2.8987 9.8054 9.8054 12.4965 12.4965 12.5593 12.5593 13.1172 13.1172 k = 0.2937 0.2937 0.2937 ( 3263 PWs) bands (ev): -23.9690 -23.9690 -17.2322 -17.2322 -17.1063 -17.1063 -17.1017 -17.1017 -7.6509 -7.6509 -7.3973 -7.3973 -7.3745 -7.3745 -2.5089 -2.5089 -2.4944 -2.4944 -1.6993 -1.6993 -1.6830 -1.6830 -1.4202 -1.4202 -0.9798 -0.9798 1.5422 1.5422 1.6942 1.6942 1.7292 1.7292 1.8824 1.8824 1.8918 1.8918 2.0579 2.0579 2.9393 2.9393 2.9542 2.9542 9.9104 9.9104 12.4577 12.4577 12.5247 12.5247 13.1444 13.1444 k = 0.3016 0.3016 0.3016 ( 3275 PWs) bands (ev): -23.9686 -23.9686 -17.2244 -17.2244 -17.1067 -17.1067 -17.1019 -17.1019 -7.6533 -7.6533 -7.3996 -7.3996 -7.3775 -7.3775 -2.5396 -2.5396 -2.5262 -2.5262 -1.7137 -1.7137 -1.6966 -1.6966 -1.4335 -1.4335 -1.0231 -1.0231 1.5537 1.5537 1.7006 1.7006 1.7440 1.7440 1.9043 1.9043 1.9075 1.9075 2.0685 2.0685 2.9951 2.9951 3.0095 3.0095 10.0140 10.0140 12.4145 12.4145 12.4855 12.4855 13.1725 13.1725 k = 0.3095 0.3095 0.3095 ( 3272 PWs) bands (ev): -23.9683 -23.9683 -17.2167 -17.2167 -17.1070 -17.1070 -17.1021 -17.1021 -7.6557 -7.6557 -7.4020 -7.4020 -7.3805 -7.3805 -2.5693 -2.5693 -2.5569 -2.5569 -1.7272 -1.7272 -1.7096 -1.7096 -1.4462 -1.4462 -1.0654 -1.0654 1.5655 1.5655 1.7060 1.7060 1.7569 1.7569 1.9244 1.9244 1.9264 1.9264 2.0790 2.0790 3.0507 3.0507 3.0645 3.0645 10.1158 10.1158 12.3678 12.3678 12.4424 12.4424 13.2016 13.2016 k = 0.3175 0.3175 0.3175 ( 3271 PWs) bands (ev): -23.9680 -23.9680 -17.2092 -17.2092 -17.1073 -17.1073 -17.1023 -17.1023 -7.6582 -7.6582 -7.4043 -7.4043 -7.3836 -7.3836 -2.5980 -2.5980 -2.5866 -2.5866 -1.7401 -1.7401 -1.7221 -1.7221 -1.4586 -1.4586 -1.1068 -1.1068 1.5776 1.5776 1.7106 1.7106 1.7683 1.7683 1.9420 1.9420 1.9483 1.9483 2.0892 2.0892 3.1058 3.1058 3.1190 3.1190 10.2157 10.2157 12.3184 12.3184 12.3963 12.3963 13.2314 13.2314 k = 0.3254 0.3254 0.3254 ( 3271 PWs) bands (ev): -23.9676 -23.9676 -17.2017 -17.2017 -17.1076 -17.1076 -17.1024 -17.1024 -7.6607 -7.6607 -7.4066 -7.4066 -7.3868 -7.3868 -2.6257 -2.6257 -2.6153 -2.6153 -1.7522 -1.7522 -1.7342 -1.7342 -1.4705 -1.4705 -1.1471 -1.1471 1.5897 1.5897 1.7147 1.7147 1.7784 1.7784 1.9601 1.9601 1.9699 1.9699 2.0993 2.0993 3.1602 3.1602 3.1728 3.1728 10.3135 10.3135 12.2670 12.2670 12.3479 12.3479 13.2618 13.2618 k = 0.3333 0.3333 0.3333 ( 3271 PWs) bands (ev): -23.9673 -23.9673 -17.1944 -17.1944 -17.1079 -17.1079 -17.1026 -17.1026 -7.6632 -7.6632 -7.4089 -7.4089 -7.3902 -7.3902 -2.6523 -2.6523 -2.6428 -2.6428 -1.7635 -1.7635 -1.7458 -1.7458 -1.4819 -1.4819 -1.1862 -1.1862 1.6019 1.6019 1.7183 1.7183 1.7874 1.7874 1.9784 1.9784 1.9909 1.9909 2.1092 2.1092 3.2137 3.2137 3.2258 3.2258 10.4089 10.4089 12.2142 12.2142 12.2978 12.2978 13.2923 13.2923 k = 0.3413 0.3413 0.3413 ( 3277 PWs) bands (ev): -23.9670 -23.9670 -17.1873 -17.1873 -17.1082 -17.1082 -17.1027 -17.1027 -7.6658 -7.6658 -7.4112 -7.4112 -7.3935 -7.3935 -2.6779 -2.6779 -2.6693 -2.6693 -1.7742 -1.7742 -1.7569 -1.7569 -1.4928 -1.4928 -1.2240 -1.2240 1.6140 1.6140 1.7216 1.7216 1.7956 1.7956 1.9966 1.9966 2.0114 2.0114 2.1188 2.1188 3.2662 3.2662 3.2776 3.2776 10.5016 10.5016 12.1607 12.1607 12.2468 12.2468 13.3226 13.3226 k = 0.3492 0.3492 0.3492 ( 3277 PWs) bands (ev): -23.9667 -23.9667 -17.1804 -17.1804 -17.1085 -17.1085 -17.1029 -17.1029 -7.6684 -7.6684 -7.4135 -7.4135 -7.3969 -7.3969 -2.7024 -2.7024 -2.6945 -2.6945 -1.7842 -1.7842 -1.7676 -1.7676 -1.5032 -1.5032 -1.2605 -1.2605 1.6260 1.6260 1.7247 1.7247 1.8031 1.8031 2.0146 2.0146 2.0312 2.0312 2.1282 2.1282 3.3176 3.3176 3.3282 3.3282 10.5915 10.5915 12.1070 12.1070 12.1953 12.1953 13.3519 13.3519 k = 0.3571 0.3571 0.3571 ( 3277 PWs) bands (ev): -23.9664 -23.9664 -17.1737 -17.1737 -17.1087 -17.1087 -17.1030 -17.1030 -7.6709 -7.6709 -7.4158 -7.4158 -7.4004 -7.4004 -2.7257 -2.7257 -2.7186 -2.7186 -1.7935 -1.7935 -1.7777 -1.7777 -1.5131 -1.5131 -1.2956 -1.2956 1.6378 1.6378 1.7276 1.7276 1.8101 1.8101 2.0322 2.0322 2.0503 2.0503 2.1373 2.1373 3.3675 3.3675 3.3774 3.3774 10.6783 10.6783 12.0536 12.0536 12.1439 12.1439 13.3791 13.3791 k = 0.3651 0.3651 0.3651 ( 3274 PWs) bands (ev): -23.9662 -23.9662 -17.1672 -17.1672 -17.1089 -17.1089 -17.1031 -17.1031 -7.6734 -7.6734 -7.4180 -7.4180 -7.4038 -7.4038 -2.7478 -2.7478 -2.7415 -2.7415 -1.8022 -1.8022 -1.7872 -1.7872 -1.5224 -1.5224 -1.3291 -1.3291 1.6493 1.6493 1.7303 1.7303 1.8167 1.8167 2.0493 2.0493 2.0686 2.0686 2.1460 2.1460 3.4159 3.4159 3.4251 3.4251 10.7618 10.7618 12.0009 12.0009 12.0930 12.0930 13.4026 13.4026 k = 0.3730 0.3730 0.3730 ( 3271 PWs) bands (ev): -23.9659 -23.9659 -17.1610 -17.1610 -17.1091 -17.1091 -17.1032 -17.1032 -7.6759 -7.6759 -7.4201 -7.4201 -7.4071 -7.4071 -2.7688 -2.7688 -2.7632 -2.7632 -1.8102 -1.8102 -1.7963 -1.7963 -1.5311 -1.5311 -1.3611 -1.3611 1.6605 1.6605 1.7328 1.7328 1.8229 1.8229 2.0657 2.0657 2.0861 2.0861 2.1545 2.1545 3.4626 3.4626 3.4710 3.4710 10.8418 10.8418 11.9493 11.9493 12.0429 12.0429 13.4200 13.4200 k = 0.3810 0.3810 0.3810 ( 3271 PWs) bands (ev): -23.9657 -23.9657 -17.1550 -17.1550 -17.1093 -17.1093 -17.1034 -17.1034 -7.6783 -7.6783 -7.4222 -7.4222 -7.4104 -7.4104 -2.7885 -2.7885 -2.7837 -2.7837 -1.8176 -1.8176 -1.8049 -1.8049 -1.5393 -1.5393 -1.3914 -1.3914 1.6712 1.6712 1.7352 1.7352 1.8288 1.8288 2.0815 2.0815 2.1028 2.1028 2.1626 2.1626 3.5074 3.5074 3.5150 3.5150 10.9181 10.9181 11.8993 11.8993 11.9942 11.9942 13.4283 13.4283 k = 0.3889 0.3889 0.3889 ( 3271 PWs) bands (ev): -23.9655 -23.9655 -17.1494 -17.1494 -17.1094 -17.1094 -17.1034 -17.1034 -7.6807 -7.6807 -7.4241 -7.4241 -7.4137 -7.4137 -2.8071 -2.8071 -2.8029 -2.8029 -1.8244 -1.8244 -1.8129 -1.8129 -1.5470 -1.5470 -1.4200 -1.4200 1.6815 1.6815 1.7375 1.7375 1.8344 1.8344 2.0964 2.0964 2.1186 2.1186 2.1703 2.1703 3.5502 3.5502 3.5570 3.5570 10.9905 10.9905 11.8512 11.8512 11.9470 11.9470 13.4244 13.4244 k = 0.3968 0.3968 0.3968 ( 3277 PWs) bands (ev): -23.9653 -23.9653 -17.1441 -17.1441 -17.1095 -17.1095 -17.1035 -17.1035 -7.6830 -7.6830 -7.4260 -7.4260 -7.4168 -7.4168 -2.8245 -2.8245 -2.8209 -2.8209 -1.8307 -1.8307 -1.8205 -1.8205 -1.5541 -1.5541 -1.4469 -1.4469 1.6911 1.6911 1.7396 1.7396 1.8397 1.8397 2.1105 2.1105 2.1334 2.1334 2.1777 2.1777 3.5908 3.5908 3.5969 3.5969 11.0587 11.0587 11.8053 11.8053 11.9018 11.9018 13.4070 13.4070 k = 0.4048 0.4048 0.4048 ( 3277 PWs) bands (ev): -23.9651 -23.9651 -17.1392 -17.1392 -17.1096 -17.1096 -17.1036 -17.1036 -7.6851 -7.6851 -7.4278 -7.4278 -7.4198 -7.4198 -2.8407 -2.8407 -2.8375 -2.8375 -1.8364 -1.8364 -1.8275 -1.8275 -1.5606 -1.5606 -1.4719 -1.4719 1.7002 1.7002 1.7416 1.7416 1.8448 1.8448 2.1237 2.1237 2.1473 2.1473 2.1847 2.1847 3.6291 3.6291 3.6344 3.6344 11.1226 11.1226 11.7620 11.7620 11.8587 11.8587 13.3774 13.3774 k = 0.4127 0.4127 0.4127 ( 3271 PWs) bands (ev): -23.9649 -23.9649 -17.1346 -17.1346 -17.1095 -17.1095 -17.1037 -17.1037 -7.6872 -7.6872 -7.4295 -7.4295 -7.4226 -7.4226 -2.8555 -2.8555 -2.8529 -2.8529 -1.8416 -1.8416 -1.8339 -1.8339 -1.5666 -1.5666 -1.4951 -1.4951 1.7087 1.7087 1.7435 1.7435 1.8496 1.8496 2.1359 2.1359 2.1603 2.1603 2.1913 2.1913 3.6650 3.6650 3.6695 3.6695 11.1818 11.1818 11.7217 11.7217 11.8181 11.8181 13.3390 13.3390 k = 0.4206 0.4206 0.4206 ( 3268 PWs) bands (ev): -23.9647 -23.9647 -17.1305 -17.1305 -17.1095 -17.1095 -17.1038 -17.1038 -7.6891 -7.6891 -7.4311 -7.4311 -7.4253 -7.4253 -2.8691 -2.8691 -2.8670 -2.8670 -1.8462 -1.8462 -1.8397 -1.8397 -1.5720 -1.5720 -1.5164 -1.5164 1.7164 1.7164 1.7452 1.7452 1.8541 1.8541 2.1471 2.1471 2.1722 2.1722 2.1974 2.1974 3.6982 3.6982 3.7020 3.7020 11.2360 11.2360 11.6849 11.6849 11.7803 11.7803 13.2958 13.2958 k = 0.4286 0.4286 0.4286 ( 3250 PWs) bands (ev): -23.9646 -23.9646 -17.1268 -17.1268 -17.1093 -17.1093 -17.1038 -17.1038 -7.6909 -7.6909 -7.4326 -7.4326 -7.4278 -7.4278 -2.8814 -2.8814 -2.8797 -2.8797 -1.8504 -1.8504 -1.8450 -1.8450 -1.5769 -1.5769 -1.5357 -1.5357 1.7235 1.7235 1.7468 1.7468 1.8583 1.8583 2.1572 2.1572 2.1831 2.1831 2.2032 2.2032 3.7287 3.7287 3.7319 3.7319 11.2847 11.2847 11.6521 11.6521 11.7453 11.7453 13.2509 13.2509 k = 0.4365 0.4365 0.4365 ( 3256 PWs) bands (ev): -23.9644 -23.9644 -17.1236 -17.1236 -17.1090 -17.1090 -17.1039 -17.1039 -7.6926 -7.6926 -7.4339 -7.4339 -7.4300 -7.4300 -2.8925 -2.8925 -2.8911 -2.8911 -1.8542 -1.8542 -1.8498 -1.8498 -1.5813 -1.5813 -1.5530 -1.5530 1.7299 1.7299 1.7482 1.7482 1.8622 1.8622 2.1663 2.1663 2.1930 2.1930 2.2085 2.2085 3.7563 3.7563 3.7589 3.7589 11.3274 11.3274 11.6239 11.6239 11.7135 11.7135 13.2068 13.2068 k = 0.4444 0.4444 0.4444 ( 3256 PWs) bands (ev): -23.9643 -23.9643 -17.1210 -17.1210 -17.1085 -17.1085 -17.1039 -17.1039 -7.6941 -7.6941 -7.4351 -7.4351 -7.4321 -7.4321 -2.9023 -2.9023 -2.9012 -2.9012 -1.8574 -1.8574 -1.8540 -1.8540 -1.5853 -1.5853 -1.5683 -1.5683 1.7355 1.7355 1.7495 1.7495 1.8657 1.8657 2.1742 2.1742 2.2017 2.2017 2.2133 2.2133 3.7810 3.7810 3.7830 3.7830 11.3630 11.3630 11.6012 11.6012 11.6850 11.6850 13.1650 13.1650 k = 0.4524 0.4524 0.4524 ( 3256 PWs) bands (ev): -23.9642 -23.9642 -17.1189 -17.1189 -17.1078 -17.1078 -17.1040 -17.1040 -7.6954 -7.6954 -7.4361 -7.4361 -7.4339 -7.4339 -2.9108 -2.9108 -2.9100 -2.9100 -1.8602 -1.8602 -1.8577 -1.8577 -1.5891 -1.5891 -1.5811 -1.5811 1.7403 1.7403 1.7506 1.7506 1.8688 1.8688 2.1810 2.1810 2.2093 2.2093 2.2177 2.2177 3.8026 3.8026 3.8041 3.8041 11.3906 11.3906 11.5852 11.5852 11.6600 11.6600 13.1268 13.1268 k = 0.4603 0.4603 0.4603 ( 3262 PWs) bands (ev): -23.9641 -23.9641 -17.1174 -17.1174 -17.1070 -17.1070 -17.1040 -17.1040 -7.6965 -7.6965 -7.4370 -7.4370 -7.4354 -7.4354 -2.9180 -2.9180 -2.9175 -2.9175 -1.8626 -1.8626 -1.8608 -1.8608 -1.5951 -1.5951 -1.5893 -1.5893 1.7444 1.7444 1.7515 1.7515 1.8715 1.8715 2.1867 2.1867 2.2158 2.2158 2.2215 2.2215 3.8210 3.8210 3.8220 3.8220 11.4091 11.4091 11.5767 11.5767 11.6385 11.6385 13.0931 13.0931 k = 0.4683 0.4683 0.4683 ( 3262 PWs) bands (ev): -23.9641 -23.9641 -17.1164 -17.1164 -17.1062 -17.1062 -17.1040 -17.1040 -7.6974 -7.6974 -7.4377 -7.4377 -7.4367 -7.4367 -2.9239 -2.9239 -2.9236 -2.9236 -1.8645 -1.8645 -1.8634 -1.8634 -1.6035 -1.6035 -1.5925 -1.5925 1.7477 1.7477 1.7523 1.7523 1.8737 1.8737 2.1913 2.1913 2.2211 2.2211 2.2247 2.2247 3.8362 3.8362 3.8369 3.8369 11.4189 11.4189 11.5754 11.5754 11.6208 11.6208 13.0646 13.0646 k = 0.4762 0.4762 0.4762 ( 3262 PWs) bands (ev): -23.9640 -23.9640 -17.1157 -17.1157 -17.1053 -17.1053 -17.1041 -17.1041 -7.6982 -7.6982 -7.4383 -7.4383 -7.4377 -7.4377 -2.9285 -2.9285 -2.9283 -2.9283 -1.8660 -1.8660 -1.8654 -1.8654 -1.6105 -1.6105 -1.5945 -1.5945 1.7503 1.7503 1.7529 1.7529 1.8755 1.8755 2.1948 2.1948 2.2253 2.2253 2.2272 2.2272 3.8481 3.8481 3.8485 3.8485 11.4222 11.4222 11.5788 11.5788 11.6070 11.6070 13.0419 13.0419 k = 0.4841 0.4841 0.4841 ( 3262 PWs) bands (ev): -23.9640 -23.9640 -17.1153 -17.1153 -17.1047 -17.1047 -17.1041 -17.1041 -7.6987 -7.6987 -7.4387 -7.4387 -7.4385 -7.4385 -2.9318 -2.9318 -2.9317 -2.9317 -1.8671 -1.8671 -1.8668 -1.8668 -1.6156 -1.6156 -1.5958 -1.5958 1.7522 1.7522 1.7533 1.7533 1.8768 1.8768 2.1973 2.1973 2.2283 2.2283 2.2291 2.2291 3.8566 3.8566 3.8568 3.8568 11.4222 11.4222 11.5837 11.5837 11.5970 11.5970 13.0253 13.0253 k = 0.4921 0.4921 0.4921 ( 3268 PWs) bands (ev): -23.9639 -23.9639 -17.1151 -17.1151 -17.1042 -17.1042 -17.1041 -17.1041 -7.6990 -7.6990 -7.4390 -7.4390 -7.4389 -7.4389 -2.9337 -2.9337 -2.9337 -2.9337 -1.8678 -1.8678 -1.8677 -1.8677 -1.6187 -1.6187 -1.5966 -1.5966 1.7533 1.7533 1.7536 1.7536 1.8775 1.8775 2.1987 2.1987 2.2300 2.2300 2.2303 2.2303 3.8617 3.8617 3.8618 3.8618 11.4212 11.4212 11.5876 11.5876 11.5910 11.5910 13.0153 13.0153 k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev): -23.9640 -23.9640 -17.1151 -17.1151 -17.1041 -17.1041 -17.1041 -17.1041 -7.6992 -7.6992 -7.4392 -7.4392 -7.4392 -7.4392 -2.9345 -2.9345 -2.9345 -2.9345 -1.8682 -1.8682 -1.8682 -1.8682 -1.6198 -1.6198 -1.5971 -1.5971 1.7535 1.7535 1.7535 1.7535 1.8776 1.8776 2.1992 2.1992 2.2306 2.2306 2.2306 2.2306 3.8631 3.8631 3.8631 3.8631 11.4208 11.4208 11.5890 11.5890 11.5890 11.5890 13.0119 13.0119 k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev): -23.9640 -23.9640 -17.1151 -17.1151 -17.1041 -17.1041 -17.1041 -17.1041 -7.6992 -7.6992 -7.4392 -7.4392 -7.4392 -7.4392 -2.9345 -2.9345 -2.9345 -2.9345 -1.8682 -1.8682 -1.8682 -1.8682 -1.6198 -1.6198 -1.5971 -1.5971 1.7535 1.7535 1.7535 1.7535 1.8776 1.8776 2.1992 2.1992 2.2306 2.2306 2.2306 2.2306 3.8631 3.8631 3.8631 3.8631 11.4208 11.4208 11.5890 11.5890 11.5890 11.5890 13.0119 13.0119 k = 0.4904 0.5000 0.4904 ( 3268 PWs) bands (ev): -23.9639 -23.9639 -17.1151 -17.1151 -17.1042 -17.1042 -17.1041 -17.1041 -7.6990 -7.6990 -7.4390 -7.4390 -7.4389 -7.4389 -2.9341 -2.9341 -2.9334 -2.9334 -1.8678 -1.8678 -1.8676 -1.8676 -1.6187 -1.6187 -1.5966 -1.5966 1.7533 1.7533 1.7535 1.7535 1.8775 1.8775 2.1988 2.1988 2.2300 2.2300 2.2303 2.2303 3.8610 3.8610 3.8626 3.8626 11.4212 11.4212 11.5877 11.5877 11.5909 11.5909 13.0152 13.0152 k = 0.4808 0.5000 0.4808 ( 3264 PWs) bands (ev): -23.9640 -23.9640 -17.1153 -17.1153 -17.1046 -17.1046 -17.1041 -17.1041 -7.6987 -7.6987 -7.4388 -7.4388 -7.4385 -7.4385 -2.9331 -2.9331 -2.9305 -2.9305 -1.8674 -1.8674 -1.8666 -1.8666 -1.6157 -1.6157 -1.5958 -1.5958 1.7523 1.7523 1.7532 1.7532 1.8768 1.8768 2.1973 2.1973 2.2281 2.2281 2.2293 2.2293 3.8535 3.8535 3.8601 3.8601 11.4222 11.4222 11.5841 11.5841 11.5964 11.5964 13.0251 13.0251 k = 0.4712 0.5000 0.4712 ( 3260 PWs) bands (ev): -23.9640 -23.9640 -17.1157 -17.1157 -17.1053 -17.1053 -17.1041 -17.1041 -7.6982 -7.6982 -7.4384 -7.4384 -7.4377 -7.4377 -2.9315 -2.9315 -2.9255 -2.9255 -1.8667 -1.8667 -1.8648 -1.8648 -1.6107 -1.6107 -1.5945 -1.5945 1.7506 1.7506 1.7527 1.7527 1.8755 1.8755 2.1948 2.1948 2.2250 2.2250 2.2278 2.2278 3.8412 3.8412 3.8560 3.8560 11.4227 11.4227 11.5794 11.5794 11.6057 11.6057 13.0413 13.0413 k = 0.4615 0.5000 0.4615 ( 3260 PWs) bands (ev): -23.9640 -23.9640 -17.1163 -17.1163 -17.1061 -17.1061 -17.1041 -17.1041 -7.6975 -7.6975 -7.4378 -7.4378 -7.4367 -7.4367 -2.9293 -2.9293 -2.9187 -2.9187 -1.8657 -1.8657 -1.8624 -1.8624 -1.6037 -1.6037 -1.5926 -1.5926 1.7482 1.7482 1.7520 1.7520 1.8738 1.8738 2.1913 2.1913 2.2207 2.2207 2.2256 2.2256 3.8240 3.8240 3.8501 3.8501 11.4207 11.4207 11.5756 11.5756 11.6186 11.6186 13.0635 13.0635 k = 0.4519 0.5000 0.4519 ( 3260 PWs) bands (ev): -23.9641 -23.9641 -17.1173 -17.1173 -17.1070 -17.1070 -17.1041 -17.1041 -7.6966 -7.6966 -7.4372 -7.4372 -7.4354 -7.4354 -2.9265 -2.9265 -2.9099 -2.9099 -1.8645 -1.8645 -1.8593 -1.8593 -1.5952 -1.5952 -1.5897 -1.5897 1.7451 1.7451 1.7511 1.7511 1.8715 1.8715 2.1866 2.1866 2.2153 2.2153 2.2230 2.2230 3.8021 3.8021 3.8427 3.8427 11.4138 11.4138 11.5752 11.5752 11.6352 11.6352 13.0915 13.0915 k = 0.4423 0.5000 0.4423 ( 3260 PWs) bands (ev): -23.9642 -23.9642 -17.1186 -17.1186 -17.1079 -17.1079 -17.1041 -17.1041 -7.6955 -7.6955 -7.4363 -7.4363 -7.4339 -7.4339 -2.9231 -2.9231 -2.8991 -2.8991 -1.8630 -1.8630 -1.8555 -1.8555 -1.5891 -1.5891 -1.5818 -1.5818 1.7413 1.7413 1.7499 1.7499 1.8688 1.8688 2.1807 2.1807 2.2088 2.2088 2.2200 2.2200 3.7755 3.7755 3.8336 3.8336 11.4002 11.4002 11.5801 11.5801 11.6555 11.6555 13.1249 13.1249 k = 0.4327 0.5000 0.4327 ( 3260 PWs) bands (ev): -23.9643 -23.9643 -17.1205 -17.1205 -17.1086 -17.1086 -17.1040 -17.1040 -7.6942 -7.6942 -7.4354 -7.4354 -7.4320 -7.4320 -2.9192 -2.9192 -2.8865 -2.8865 -1.8613 -1.8613 -1.8511 -1.8511 -1.5853 -1.5853 -1.5688 -1.5688 1.7368 1.7368 1.7485 1.7485 1.8657 1.8657 2.1735 2.1735 2.2014 2.2014 2.2165 2.2165 3.7444 3.7444 3.8228 3.8228 11.3794 11.3794 11.5907 11.5907 11.6794 11.6794 13.1632 13.1632 k = 0.4231 0.5000 0.4231 ( 3266 PWs) bands (ev): -23.9644 -23.9644 -17.1229 -17.1229 -17.1092 -17.1092 -17.1040 -17.1040 -7.6927 -7.6927 -7.4342 -7.4342 -7.4300 -7.4300 -2.9149 -2.9149 -2.8719 -2.8719 -1.8593 -1.8593 -1.8461 -1.8461 -1.5815 -1.5815 -1.5533 -1.5533 1.7316 1.7316 1.7469 1.7469 1.8621 1.8621 2.1649 2.1649 2.1932 2.1932 2.2128 2.2128 3.7090 3.7090 3.8103 3.8103 11.3521 11.3521 11.6062 11.6062 11.7070 11.7070 13.2059 13.2059 k = 0.4135 0.5000 0.4135 ( 3266 PWs) bands (ev): -23.9645 -23.9645 -17.1258 -17.1258 -17.1097 -17.1097 -17.1040 -17.1040 -7.6911 -7.6911 -7.4330 -7.4330 -7.4277 -7.4277 -2.9100 -2.9100 -2.8554 -2.8554 -1.8571 -1.8571 -1.8403 -1.8403 -1.5771 -1.5771 -1.5356 -1.5356 1.7257 1.7257 1.7450 1.7450 1.8581 1.8581 2.1549 2.1549 2.1842 2.1842 2.2088 2.2088 3.6694 3.6694 3.7962 3.7962 11.3195 11.3195 11.6251 11.6251 11.7382 11.7382 13.2528 13.2528 k = 0.4038 0.5000 0.4038 ( 3262 PWs) bands (ev): -23.9647 -23.9647 -17.1292 -17.1292 -17.1101 -17.1101 -17.1039 -17.1039 -7.6893 -7.6893 -7.4316 -7.4316 -7.4252 -7.4252 -2.9048 -2.9048 -2.8370 -2.8370 -1.8546 -1.8546 -1.8339 -1.8339 -1.5722 -1.5722 -1.5156 -1.5156 1.7191 1.7191 1.7430 1.7430 1.8537 1.8537 2.1434 2.1434 2.1748 2.1748 2.2045 2.2045 3.6258 3.6258 3.7804 3.7804 11.2827 11.2827 11.6461 11.6461 11.7731 11.7731 13.3035 13.3035 k = 0.3942 0.5000 0.3942 ( 3262 PWs) bands (ev): -23.9648 -23.9648 -17.1329 -17.1329 -17.1104 -17.1104 -17.1038 -17.1038 -7.6875 -7.6875 -7.4302 -7.4302 -7.4225 -7.4225 -2.8993 -2.8993 -2.8167 -2.8167 -1.8518 -1.8518 -1.8269 -1.8269 -1.5668 -1.5668 -1.4934 -1.4934 1.7118 1.7118 1.7406 1.7406 1.8490 1.8490 2.1304 2.1304 2.1649 2.1649 2.2000 2.2000 3.5784 3.5784 3.7630 3.7630 11.2424 11.2424 11.6680 11.6680 11.8117 11.8117 13.3575 13.3575 k = 0.3846 0.5000 0.3846 ( 3260 PWs) bands (ev): -23.9650 -23.9650 -17.1371 -17.1371 -17.1106 -17.1106 -17.1037 -17.1037 -7.6854 -7.6854 -7.4285 -7.4285 -7.4196 -7.4196 -2.8934 -2.8934 -2.7947 -2.7947 -1.8488 -1.8488 -1.8192 -1.8192 -1.5609 -1.5609 -1.4690 -1.4690 1.7037 1.7037 1.7380 1.7380 1.8439 1.8439 2.1159 2.1159 2.1547 2.1547 2.1952 2.1952 3.5274 3.5274 3.7440 3.7440 11.1993 11.1993 11.6897 11.6897 11.8537 11.8537 13.4146 13.4146 k = 0.3750 0.5000 0.3750 ( 3268 PWs) bands (ev): -23.9652 -23.9652 -17.1416 -17.1416 -17.1108 -17.1108 -17.1035 -17.1035 -7.6833 -7.6833 -7.4268 -7.4268 -7.4166 -7.4166 -2.8874 -2.8874 -2.7708 -2.7708 -1.8456 -1.8456 -1.8110 -1.8110 -1.5544 -1.5544 -1.4424 -1.4424 1.6950 1.6950 1.7352 1.7352 1.8385 1.8385 2.1000 2.1000 2.1443 2.1443 2.1903 2.1903 3.4731 3.4731 3.7232 3.7232 11.1538 11.1538 11.7104 11.7104 11.8990 11.8990 13.4745 13.4745 k = 0.3654 0.5000 0.3654 ( 3268 PWs) bands (ev): -23.9654 -23.9654 -17.1465 -17.1465 -17.1110 -17.1110 -17.1033 -17.1033 -7.6811 -7.6811 -7.4250 -7.4250 -7.4135 -7.4135 -2.8811 -2.8811 -2.7452 -2.7452 -1.8421 -1.8421 -1.8022 -1.8022 -1.5474 -1.5474 -1.4135 -1.4135 1.6855 1.6855 1.7321 1.7321 1.8329 1.8329 2.0828 2.0828 2.1338 2.1338 2.1851 2.1851 3.4158 3.4158 3.7009 3.7009 11.1064 11.1064 11.7291 11.7291 11.9475 11.9475 13.5368 13.5368 k = 0.3558 0.5000 0.3558 ( 3272 PWs) bands (ev): -23.9656 -23.9656 -17.1516 -17.1516 -17.1112 -17.1112 -17.1031 -17.1031 -7.6788 -7.6788 -7.4231 -7.4231 -7.4103 -7.4103 -2.8747 -2.8747 -2.7178 -2.7178 -1.8383 -1.8383 -1.7928 -1.7928 -1.5398 -1.5398 -1.3825 -1.3825 1.6752 1.6752 1.7287 1.7287 1.8270 1.8270 2.0642 2.0642 2.1232 2.1232 2.1797 2.1797 3.3555 3.3555 3.6769 3.6769 11.0572 11.0572 11.7451 11.7451 11.9988 11.9988 13.6012 13.6012 k = 0.3462 0.5000 0.3462 ( 3276 PWs) bands (ev): -23.9658 -23.9658 -17.1570 -17.1570 -17.1113 -17.1113 -17.1029 -17.1029 -7.6764 -7.6764 -7.4212 -7.4212 -7.4070 -7.4070 -2.8682 -2.8682 -2.6887 -2.6887 -1.8342 -1.8342 -1.7828 -1.7828 -1.5316 -1.5316 -1.3492 -1.3492 1.6642 1.6642 1.7250 1.7250 1.8208 1.8208 2.0443 2.0443 2.1126 2.1126 2.1742 2.1742 3.2927 3.2927 3.6512 3.6512 11.0066 11.0066 11.7576 11.7576 12.0528 12.0528 13.6673 13.6673 k = 0.3365 0.5000 0.3365 ( 3268 PWs) bands (ev): -23.9660 -23.9660 -17.1627 -17.1627 -17.1115 -17.1115 -17.1026 -17.1026 -7.6740 -7.6740 -7.4191 -7.4191 -7.4036 -7.4036 -2.8616 -2.8616 -2.6579 -2.6579 -1.8298 -1.8298 -1.7721 -1.7721 -1.5228 -1.5228 -1.3137 -1.3137 1.6524 1.6524 1.7210 1.7210 1.8146 1.8146 2.0231 2.0231 2.1021 2.1021 2.1685 2.1685 3.2276 3.2276 3.6240 3.6240 10.9548 10.9548 11.7660 11.7660 12.1091 12.1091 13.7128 13.7128 k = 0.3269 0.5000 0.3269 ( 3276 PWs) bands (ev): -23.9663 -23.9663 -17.1685 -17.1685 -17.1117 -17.1117 -17.1023 -17.1023 -7.6715 -7.6715 -7.4169 -7.4169 -7.4002 -7.4002 -2.8551 -2.8551 -2.6255 -2.6255 -1.8252 -1.8252 -1.7609 -1.7609 -1.5135 -1.5135 -1.2761 -1.2761 1.6398 1.6398 1.7168 1.7168 1.8081 1.8081 2.0007 2.0007 2.0919 2.0919 2.1628 2.1628 3.1605 3.1605 3.5951 3.5951 10.9020 10.9020 11.7698 11.7698 12.1675 12.1675 13.7038 13.7038 k = 0.3173 0.5000 0.3173 ( 3270 PWs) bands (ev): -23.9665 -23.9665 -17.1745 -17.1745 -17.1118 -17.1118 -17.1020 -17.1020 -7.6690 -7.6690 -7.4148 -7.4148 -7.3967 -7.3967 -2.8486 -2.8486 -2.5915 -2.5915 -1.8202 -1.8202 -1.7491 -1.7491 -1.5036 -1.5036 -1.2364 -1.2364 1.6264 1.6264 1.7122 1.7122 1.8015 1.8015 1.9769 1.9769 2.0820 2.0820 2.1569 2.1569 3.0917 3.0917 3.5646 3.5646 10.8484 10.8484 11.7685 11.7685 12.2277 12.2277 13.7004 13.7004 k = 0.3077 0.5000 0.3077 ( 3270 PWs) bands (ev): -23.9668 -23.9668 -17.1807 -17.1807 -17.1119 -17.1119 -17.1017 -17.1017 -7.6664 -7.6664 -7.4125 -7.4125 -7.3933 -7.3933 -2.8421 -2.8421 -2.5561 -2.5561 -1.8149 -1.8149 -1.7367 -1.7367 -1.4931 -1.4931 -1.1946 -1.1946 1.6123 1.6123 1.7074 1.7074 1.7949 1.7949 1.9518 1.9518 2.0724 2.0724 2.1510 2.1510 3.0214 3.0214 3.5325 3.5325 10.7942 10.7942 11.7619 11.7619 12.2895 12.2895 13.7032 13.7032 k = 0.2981 0.5000 0.2981 ( 3258 PWs) bands (ev): -23.9670 -23.9670 -17.1870 -17.1870 -17.1121 -17.1121 -17.1013 -17.1013 -7.6639 -7.6639 -7.4102 -7.4102 -7.3899 -7.3899 -2.8357 -2.8357 -2.5192 -2.5192 -1.8092 -1.8092 -1.7236 -1.7236 -1.4820 -1.4820 -1.1509 -1.1509 1.5974 1.5974 1.7023 1.7023 1.7882 1.7882 1.9255 1.9255 2.0633 2.0633 2.1451 2.1451 2.9500 2.9500 3.4987 3.4987 10.7395 10.7395 11.7499 11.7499 12.3526 12.3526 13.7123 13.7123 k = 0.2885 0.5000 0.2885 ( 3274 PWs) bands (ev): -23.9673 -23.9673 -17.1935 -17.1935 -17.1122 -17.1122 -17.1009 -17.1009 -7.6614 -7.6614 -7.4079 -7.4079 -7.3866 -7.3866 -2.8296 -2.8296 -2.4810 -2.4810 -1.8034 -1.8034 -1.7100 -1.7100 -1.4705 -1.4705 -1.1052 -1.1052 1.5816 1.5816 1.6968 1.6968 1.7815 1.7815 1.8976 1.8976 2.0548 2.0548 2.1392 2.1392 2.8778 2.8778 3.4633 3.4633 10.6846 10.6846 11.7328 11.7328 12.4167 12.4167 13.7032 13.7032 k = 0.2788 0.5000 0.2788 ( 3274 PWs) bands (ev): -23.9676 -23.9676 -17.2000 -17.2000 -17.1123 -17.1123 -17.1006 -17.1006 -7.6589 -7.6589 -7.4056 -7.4056 -7.3834 -7.3834 -2.8235 -2.8235 -2.4416 -2.4416 -1.7972 -1.7972 -1.6956 -1.6956 -1.4585 -1.4585 -1.0577 -1.0577 1.5651 1.5651 1.6911 1.6911 1.7747 1.7747 1.8682 1.8682 2.0468 2.0468 2.1333 2.1333 2.8054 2.8054 3.4265 3.4265 10.6295 10.6295 11.7106 11.7106 12.4816 12.4816 13.6430 13.6430 k = 0.2692 0.5000 0.2692 ( 3278 PWs) bands (ev): -23.9679 -23.9679 -17.2066 -17.2066 -17.1124 -17.1124 -17.1001 -17.1001 -7.6565 -7.6565 -7.4033 -7.4033 -7.3802 -7.3802 -2.8176 -2.8176 -2.4011 -2.4011 -1.7907 -1.7907 -1.6805 -1.6805 -1.4459 -1.4459 -1.0085 -1.0085 1.5479 1.5479 1.6851 1.6851 1.7680 1.7680 1.8372 1.8372 2.0394 2.0394 2.1275 2.1275 2.7330 2.7330 3.3881 3.3881 10.5745 10.5745 11.6838 11.6838 12.5470 12.5470 13.5840 13.5840 k = 0.2596 0.5000 0.2596 ( 3280 PWs) bands (ev): -23.9682 -23.9682 -17.2132 -17.2132 -17.1125 -17.1125 -17.0997 -17.0997 -7.6540 -7.6540 -7.4009 -7.4009 -7.3772 -7.3772 -2.8118 -2.8118 -2.3596 -2.3596 -1.7839 -1.7839 -1.6647 -1.6647 -1.4329 -1.4329 -0.9576 -0.9576 1.5300 1.5300 1.6787 1.6787 1.7613 1.7613 1.8045 1.8045 2.0327 2.0327 2.1218 2.1218 2.6611 2.6611 3.3481 3.3481 10.5196 10.5196 11.6530 11.6530 12.6128 12.6128 13.5263 13.5263 k = 0.2500 0.5000 0.2500 ( 3272 PWs) bands (ev): -23.9684 -23.9684 -17.2199 -17.2199 -17.1125 -17.1125 -17.0993 -17.0993 -7.6516 -7.6516 -7.3986 -7.3986 -7.3742 -7.3742 -2.8063 -2.8063 -2.3172 -2.3172 -1.7768 -1.7768 -1.6479 -1.6479 -1.4193 -1.4193 -0.9052 -0.9052 1.5115 1.5115 1.6718 1.6718 1.7540 1.7540 1.7707 1.7707 2.0266 2.0266 2.1162 2.1162 2.5903 2.5903 3.3067 3.3067 10.4651 10.4651 11.6185 11.6185 12.6787 12.6787 13.4700 13.4700 k = 0.2404 0.5000 0.2404 ( 3280 PWs) bands (ev): -23.9687 -23.9687 -17.2265 -17.2265 -17.1126 -17.1126 -17.0989 -17.0989 -7.6493 -7.6493 -7.3963 -7.3963 -7.3714 -7.3714 -2.8010 -2.8010 -2.2743 -2.2743 -1.7695 -1.7695 -1.6302 -1.6302 -1.4054 -1.4054 -0.8515 -0.8515 1.4924 1.4924 1.6637 1.6637 1.7328 1.7328 1.7496 1.7496 2.0212 2.0212 2.1108 2.1108 2.5210 2.5210 3.2639 3.2639 10.4111 10.4111 11.5810 11.5810 12.7445 12.7445 13.4151 13.4151 k = 0.2308 0.5000 0.2308 ( 3276 PWs) bands (ev): -23.9690 -23.9690 -17.2331 -17.2331 -17.1126 -17.1126 -17.0984 -17.0984 -7.6471 -7.6471 -7.3940 -7.3940 -7.3688 -7.3688 -2.7958 -2.7958 -2.2309 -2.2309 -1.7620 -1.7620 -1.6114 -1.6114 -1.3909 -1.3909 -0.7964 -0.7964 1.4728 1.4728 1.6518 1.6518 1.6988 1.6988 1.7425 1.7425 2.0164 2.0164 2.1055 2.1055 2.4538 2.4538 3.2196 3.2196 10.3577 10.3577 11.5410 11.5410 12.8100 12.8100 13.3617 13.3617 k = 0.2212 0.5000 0.2212 ( 3276 PWs) bands (ev): -23.9693 -23.9693 -17.2396 -17.2396 -17.1126 -17.1126 -17.0980 -17.0980 -7.6449 -7.6449 -7.3917 -7.3917 -7.3663 -7.3663 -2.7909 -2.7909 -2.1874 -2.1874 -1.7542 -1.7542 -1.5913 -1.5913 -1.3761 -1.3761 -0.7402 -0.7402 1.4526 1.4526 1.6275 1.6275 1.6738 1.6738 1.7360 1.7360 2.0122 2.0122 2.1005 2.1005 2.3893 2.3893 3.1740 3.1740 10.3052 10.3052 11.4991 11.4991 12.8749 12.8749 13.3098 13.3098 k = 0.2115 0.5000 0.2115 ( 3276 PWs) bands (ev): -23.9696 -23.9696 -17.2460 -17.2460 -17.1126 -17.1126 -17.0976 -17.0976 -7.6428 -7.6428 -7.3895 -7.3895 -7.3639 -7.3639 -2.7862 -2.7862 -2.1441 -2.1441 -1.7463 -1.7463 -1.5700 -1.5700 -1.3609 -1.3609 -0.6831 -0.6831 1.4319 1.4319 1.5879 1.5879 1.6611 1.6611 1.7296 1.7296 2.0086 2.0086 2.0956 2.0956 2.3279 2.3279 3.1270 3.1270 10.2536 10.2536 11.4557 11.4557 12.9391 12.9391 13.2596 13.2596 k = 0.2019 0.5000 0.2019 ( 3280 PWs) bands (ev): -23.9699 -23.9699 -17.2524 -17.2524 -17.1126 -17.1126 -17.0971 -17.0971 -7.6408 -7.6408 -7.3874 -7.3874 -7.3617 -7.3617 -2.7818 -2.7818 -2.1012 -2.1012 -1.7384 -1.7384 -1.5471 -1.5471 -1.3452 -1.3452 -0.6252 -0.6252 1.4106 1.4106 1.5404 1.5404 1.6535 1.6535 1.7234 1.7234 2.0055 2.0055 2.0909 2.0909 2.2703 2.2703 3.0788 3.0788 10.2031 10.2031 11.4113 11.4113 13.0022 13.0022 13.2110 13.2110 k = 0.1923 0.5000 0.1923 ( 3284 PWs) bands (ev): -23.9702 -23.9702 -17.2586 -17.2586 -17.1126 -17.1126 -17.0967 -17.0967 -7.6389 -7.6389 -7.3853 -7.3853 -7.3596 -7.3596 -2.7776 -2.7776 -2.0591 -2.0591 -1.7303 -1.7303 -1.5225 -1.5225 -1.3290 -1.3290 -0.5668 -0.5668 1.3881 1.3881 1.4888 1.4888 1.6477 1.6477 1.7172 1.7172 2.0029 2.0029 2.0862 2.0862 2.2168 2.2168 3.0294 3.0294 10.1539 10.1539 11.3664 11.3664 13.0642 13.0642 13.1642 13.1642 k = 0.1827 0.5000 0.1827 ( 3288 PWs) bands (ev): -23.9704 -23.9704 -17.2646 -17.2646 -17.1125 -17.1125 -17.0963 -17.0963 -7.6371 -7.6371 -7.3833 -7.3833 -7.3578 -7.3578 -2.7736 -2.7736 -2.0182 -2.0182 -1.7222 -1.7222 -1.4962 -1.4962 -1.3122 -1.3122 -0.5079 -0.5079 1.3629 1.3629 1.4357 1.4357 1.6429 1.6429 1.7111 1.7111 2.0007 2.0007 2.0811 2.0811 2.1682 2.1682 2.9789 2.9789 10.1060 10.1060 11.3214 11.3214 13.1187 13.1187 13.1254 13.1254 k = 0.1731 0.5000 0.1731 ( 3268 PWs) bands (ev): -23.9707 -23.9707 -17.2705 -17.2705 -17.1124 -17.1124 -17.0959 -17.0959 -7.6353 -7.6353 -7.3813 -7.3813 -7.3560 -7.3560 -2.7697 -2.7697 -1.9788 -1.9788 -1.7140 -1.7140 -1.4679 -1.4679 -1.2945 -1.2945 -0.4489 -0.4489 1.3293 1.3293 1.3874 1.3874 1.6391 1.6391 1.7052 1.7052 1.9989 1.9989 2.0742 2.0742 2.1261 2.1261 2.9274 2.9274 10.0597 10.0597 11.2766 11.2766 13.0761 13.0761 13.1839 13.1839 k = 0.1635 0.5000 0.1635 ( 3268 PWs) bands (ev): -23.9710 -23.9710 -17.2762 -17.2762 -17.1124 -17.1124 -17.0955 -17.0955 -7.6337 -7.6337 -7.3795 -7.3795 -7.3543 -7.3543 -2.7661 -2.7661 -1.9414 -1.9414 -1.7060 -1.7060 -1.4382 -1.4382 -1.2758 -1.2758 -0.3900 -0.3900 1.2793 1.2793 1.3522 1.3522 1.6362 1.6362 1.6993 1.6993 1.9971 1.9971 2.0594 2.0594 2.0965 2.0965 2.8750 2.8750 10.0151 10.0151 11.2324 11.2324 13.0349 13.0349 13.2411 13.2411 k = 0.1538 0.5000 0.1538 ( 3280 PWs) bands (ev): -23.9712 -23.9712 -17.2817 -17.2817 -17.1123 -17.1123 -17.0951 -17.0951 -7.6322 -7.6322 -7.3777 -7.3777 -7.3529 -7.3529 -2.7628 -2.7628 -1.9065 -1.9065 -1.6981 -1.6981 -1.4074 -1.4074 -1.2554 -1.2554 -0.3315 -0.3315 1.2167 1.2167 1.3269 1.3269 1.6344 1.6344 1.6936 1.6936 1.9947 1.9947 2.0324 2.0324 2.0842 2.0842 2.8219 2.8219 9.9722 9.9722 11.1890 11.1890 12.9958 12.9958 13.2964 13.2964 k = 0.1442 0.5000 0.1442 ( 3284 PWs) bands (ev): -23.9715 -23.9715 -17.2869 -17.2869 -17.1122 -17.1122 -17.0947 -17.0947 -7.6308 -7.6308 -7.3761 -7.3761 -7.3515 -7.3515 -2.7597 -2.7597 -1.8739 -1.8739 -1.6904 -1.6904 -1.3763 -1.3763 -1.2324 -1.2324 -0.2736 -0.2736 1.1483 1.1483 1.3055 1.3055 1.6336 1.6336 1.6880 1.6880 1.9873 1.9873 2.0075 2.0075 2.0791 2.0791 2.7680 2.7680 9.9313 9.9313 11.1469 11.1469 12.9586 12.9586 13.3494 13.3494 k = 0.1346 0.5000 0.1346 ( 3276 PWs) bands (ev): -23.9717 -23.9717 -17.2919 -17.2919 -17.1121 -17.1121 -17.0943 -17.0943 -7.6295 -7.6295 -7.3746 -7.3746 -7.3503 -7.3503 -2.7567 -2.7567 -1.8439 -1.8439 -1.6829 -1.6829 -1.3460 -1.3460 -1.2057 -1.2057 -0.2167 -0.2167 1.0768 1.0768 1.2860 1.2860 1.6342 1.6342 1.6827 1.6827 1.9651 1.9651 1.9993 1.9993 2.0761 2.0761 2.7138 2.7138 9.8924 9.8924 11.1063 11.1063 12.9237 12.9237 13.4001 13.4001 k = 0.1250 0.5000 0.1250 ( 3284 PWs) bands (ev): -23.9719 -23.9719 -17.2966 -17.2966 -17.1120 -17.1120 -17.0940 -17.0940 -7.6283 -7.6283 -7.3731 -7.3731 -7.3492 -7.3492 -2.7541 -2.7541 -1.8168 -1.8168 -1.6757 -1.6757 -1.3183 -1.3183 -1.1742 -1.1742 -0.1611 -0.1611 1.0031 1.0031 1.2678 1.2678 1.6361 1.6361 1.6775 1.6775 1.9393 1.9393 1.9973 1.9973 2.0740 2.0740 2.6592 2.6592 9.8557 9.8557 11.0673 11.0673 12.8908 12.8908 13.4482 13.4482 k = 0.1154 0.5000 0.1154 ( 3284 PWs) bands (ev): -23.9722 -23.9722 -17.3011 -17.3011 -17.1119 -17.1119 -17.0937 -17.0937 -7.6271 -7.6271 -7.3718 -7.3718 -7.3482 -7.3482 -2.7516 -2.7516 -1.7922 -1.7922 -1.6687 -1.6687 -1.2939 -1.2939 -1.1371 -1.1371 -0.1071 -0.1071 0.9284 0.9284 1.2506 1.2506 1.6395 1.6395 1.6727 1.6727 1.9152 1.9152 1.9963 1.9963 2.0725 2.0725 2.6045 2.6045 9.8212 9.8212 11.0304 11.0304 12.8602 12.8602 13.4935 13.4935 k = 0.1058 0.5000 0.1058 ( 3280 PWs) bands (ev): -23.9724 -23.9724 -17.3052 -17.3052 -17.1118 -17.1118 -17.0934 -17.0934 -7.6261 -7.6261 -7.3706 -7.3706 -7.3472 -7.3472 -2.7493 -2.7493 -1.7702 -1.7702 -1.6622 -1.6622 -1.2731 -1.2731 -1.0947 -1.0947 -0.0553 -0.0553 0.8532 0.8532 1.2346 1.2346 1.6446 1.6446 1.6682 1.6682 1.8934 1.8934 1.9955 1.9955 2.0715 2.0715 2.5499 2.5499 9.7891 9.7891 10.9956 10.9956 12.8319 12.8319 13.5359 13.5359 k = 0.0962 0.5000 0.0962 ( 3284 PWs) bands (ev): -23.9725 -23.9725 -17.3091 -17.3091 -17.1117 -17.1117 -17.0931 -17.0931 -7.6252 -7.6252 -7.3696 -7.3696 -7.3464 -7.3464 -2.7472 -2.7472 -1.7507 -1.7507 -1.6560 -1.6560 -1.2556 -1.2556 -1.0482 -1.0482 -0.0059 -0.0059 0.7782 0.7782 1.2197 1.2197 1.6511 1.6511 1.6643 1.6643 1.8739 1.8739 1.9947 1.9947 2.0708 2.0708 2.4958 2.4958 9.7595 9.7595 10.9631 10.9631 12.8059 12.8059 13.5752 13.5752 k = 0.0865 0.5000 0.0865 ( 3280 PWs) bands (ev): -23.9727 -23.9727 -17.3126 -17.3126 -17.1116 -17.1116 -17.0928 -17.0928 -7.6244 -7.6244 -7.3686 -7.3686 -7.3456 -7.3456 -2.7453 -2.7453 -1.7335 -1.7335 -1.6503 -1.6503 -1.2407 -1.2407 -0.9985 -0.9985 0.0406 0.0406 0.7042 0.7042 1.2059 1.2059 1.6562 1.6562 1.6642 1.6642 1.8566 1.8566 1.9938 1.9938 2.0705 2.0705 2.4426 2.4426 9.7324 9.7324 10.9332 10.9332 12.7822 12.7822 13.6112 13.6112 k = 0.0769 0.5000 0.0769 ( 3284 PWs) bands (ev): -23.9729 -23.9729 -17.3157 -17.3157 -17.1115 -17.1115 -17.0926 -17.0926 -7.6237 -7.6237 -7.3678 -7.3678 -7.3450 -7.3450 -2.7436 -2.7436 -1.7185 -1.7185 -1.6451 -1.6451 -1.2279 -1.2279 -0.9471 -0.9471 0.0838 0.0838 0.6317 0.6317 1.1934 1.1934 1.6544 1.6544 1.6734 1.6734 1.8414 1.8414 1.9928 1.9928 2.0704 2.0704 2.3905 2.3905 9.7079 9.7079 10.9060 10.9060 12.7609 12.7609 13.6437 13.6437 k = 0.0673 0.5000 0.0673 ( 3284 PWs) bands (ev): -23.9730 -23.9730 -17.3186 -17.3186 -17.1114 -17.1114 -17.0924 -17.0924 -7.6231 -7.6231 -7.3671 -7.3671 -7.3444 -7.3444 -2.7422 -2.7422 -1.7055 -1.7055 -1.6404 -1.6404 -1.2171 -1.2171 -0.8950 -0.8950 0.1231 0.1231 0.5618 0.5618 1.1822 1.1822 1.6514 1.6514 1.6861 1.6861 1.8283 1.8283 1.9914 1.9914 2.0704 2.0704 2.3403 2.3403 9.6862 9.6862 10.8817 10.8817 12.7420 12.7420 13.6726 13.6726 k = 0.0577 0.5000 0.0577 ( 3276 PWs) bands (ev): -23.9731 -23.9731 -17.3210 -17.3210 -17.1113 -17.1113 -17.0922 -17.0922 -7.6225 -7.6225 -7.3664 -7.3664 -7.3439 -7.3439 -2.7409 -2.7409 -1.6943 -1.6943 -1.6362 -1.6362 -1.2078 -1.2078 -0.8437 -0.8437 0.1581 0.1581 0.4955 0.4955 1.1724 1.1724 1.6486 1.6486 1.7010 1.7010 1.8172 1.8172 1.9897 1.9897 2.0706 2.0706 2.2926 2.2926 9.6672 9.6672 10.8603 10.8603 12.7256 12.7256 13.6976 13.6976 k = 0.0481 0.5000 0.0481 ( 3276 PWs) bands (ev): -23.9732 -23.9732 -17.3231 -17.3231 -17.1112 -17.1112 -17.0921 -17.0921 -7.6221 -7.6221 -7.3659 -7.3659 -7.3435 -7.3435 -2.7398 -2.7398 -1.6851 -1.6851 -1.6326 -1.6326 -1.2001 -1.2001 -0.7947 -0.7947 0.1883 0.1883 0.4342 0.4342 1.1639 1.1639 1.6461 1.6461 1.7172 1.7172 1.8083 1.8083 1.9874 1.9874 2.0709 2.0709 2.2482 2.2482 9.6510 9.6510 10.8420 10.8420 12.7117 12.7117 13.7186 13.7186 k = 0.0385 0.5000 0.0385 ( 3268 PWs) bands (ev): -23.9733 -23.9733 -17.3248 -17.3248 -17.1111 -17.1111 -17.0919 -17.0919 -7.6217 -7.6217 -7.3655 -7.3655 -7.3431 -7.3431 -2.7389 -2.7389 -1.6776 -1.6776 -1.6296 -1.6296 -1.1938 -1.1938 -0.7496 -0.7496 0.2131 0.2131 0.3798 0.3798 1.1570 1.1570 1.6440 1.6440 1.7341 1.7341 1.8015 1.8015 1.9842 1.9842 2.0711 2.0711 2.2086 2.2086 9.6378 9.6378 10.8269 10.8269 12.7003 12.7003 13.7350 13.7350 k = 0.0288 0.5000 0.0288 ( 3264 PWs) bands (ev): -23.9734 -23.9734 -17.3262 -17.3262 -17.1111 -17.1111 -17.0918 -17.0918 -7.6214 -7.6214 -7.3652 -7.3652 -7.3428 -7.3428 -2.7382 -2.7382 -1.6719 -1.6719 -1.6272 -1.6272 -1.1890 -1.1890 -0.7107 -0.7107 0.2317 0.2317 0.3347 0.3347 1.1515 1.1515 1.6424 1.6424 1.7499 1.7499 1.7975 1.7975 1.9801 1.9801 2.0714 2.0714 2.1750 2.1750 9.6274 9.6274 10.8151 10.8151 12.6913 12.6913 13.7465 13.7465 k = 0.0192 0.5000 0.0192 ( 3254 PWs) bands (ev): -23.9734 -23.9734 -17.3272 -17.3272 -17.1110 -17.1110 -17.0917 -17.0917 -7.6212 -7.6212 -7.3649 -7.3649 -7.3426 -7.3426 -2.7377 -2.7377 -1.6677 -1.6677 -1.6255 -1.6255 -1.1855 -1.1855 -0.6802 -0.6802 0.2426 0.2426 0.3026 0.3026 1.1476 1.1476 1.6412 1.6412 1.7619 1.7619 1.7971 1.7971 1.9754 1.9754 2.0716 2.0716 2.1495 2.1495 9.6200 9.6200 10.8066 10.8066 12.6850 12.6850 13.7529 13.7529 k = 0.0096 0.5000 0.0096 ( 3250 PWs) bands (ev): -23.9734 -23.9734 -17.3278 -17.3278 -17.1110 -17.1110 -17.0917 -17.0917 -7.6211 -7.6211 -7.3648 -7.3648 -7.3425 -7.3425 -2.7374 -2.7374 -1.6653 -1.6653 -1.6244 -1.6244 -1.1834 -1.1834 -0.6607 -0.6607 0.2441 0.2441 0.2871 0.2871 1.1452 1.1452 1.6405 1.6405 1.7681 1.7681 1.7998 1.7998 1.9713 1.9713 2.0717 2.0717 2.1335 2.1335 9.6155 9.6155 10.8015 10.8015 12.6811 12.6811 13.7555 13.7555 k = 0.0000 0.5000-0.0000 ( 3250 PWs) bands (ev): -23.9734 -23.9734 -17.3280 -17.3280 -17.1110 -17.1110 -17.0917 -17.0917 -7.6210 -7.6210 -7.3648 -7.3648 -7.3424 -7.3424 -2.7373 -2.7373 -1.6645 -1.6645 -1.6241 -1.6241 -1.1827 -1.1827 -0.6540 -0.6540 0.2425 0.2425 0.2838 0.2838 1.1444 1.1444 1.6403 1.6403 1.7697 1.7697 1.8016 1.8016 1.9695 1.9695 2.0717 2.0717 2.1281 2.1281 9.6140 9.6140 10.7998 10.7998 12.6799 12.6799 13.7561 13.7561 k = 0.5000 0.5000-0.0000 ( 3276 PWs) bands (ev): -23.9682 -23.9682 -17.2051 -17.2051 -17.1184 -17.1184 -17.1111 -17.1111 -7.6456 -7.6456 -7.4029 -7.4029 -7.3461 -7.3461 -2.9370 -2.9370 -2.4469 -2.4469 -1.8900 -1.8900 -1.6403 -1.6403 -1.3857 -1.3857 0.4823 0.4823 0.7778 0.7778 1.4982 1.4982 1.5361 1.5361 1.6394 1.6394 1.9627 1.9627 2.0037 2.0037 2.2099 2.2099 3.8612 3.8612 10.9561 10.9561 12.5438 12.5438 12.6639 12.6639 12.7132 12.7132 k = 0.5000 0.5000 0.0135 ( 3276 PWs) bands (ev): -23.9682 -23.9682 -17.2049 -17.2049 -17.1184 -17.1184 -17.1111 -17.1111 -7.6457 -7.6457 -7.4029 -7.4029 -7.3463 -7.3463 -2.9370 -2.9370 -2.4474 -2.4474 -1.8899 -1.8899 -1.6407 -1.6407 -1.3862 -1.3862 0.4397 0.4397 0.8216 0.8216 1.4989 1.4989 1.5369 1.5369 1.6397 1.6397 1.9629 1.9629 2.0039 2.0039 2.2099 2.2099 3.8612 3.8612 10.9567 10.9567 12.5409 12.5409 12.6609 12.6609 12.7150 12.7150 k = 0.5000 0.5000 0.0270 ( 3260 PWs) bands (ev): -23.9681 -23.9681 -17.2044 -17.2044 -17.1184 -17.1184 -17.1111 -17.1111 -7.6459 -7.6459 -7.4031 -7.4031 -7.3468 -7.3468 -2.9370 -2.9370 -2.4487 -2.4487 -1.8896 -1.8896 -1.6419 -1.6419 -1.3875 -1.3875 0.3493 0.3493 0.9157 0.9157 1.5012 1.5012 1.5393 1.5393 1.6407 1.6407 1.9637 1.9637 2.0043 2.0043 2.2100 2.2100 3.8613 3.8613 10.9586 10.9586 12.5323 12.5323 12.6519 12.6519 12.7201 12.7201 k = 0.5000 0.5000 0.0405 ( 3256 PWs) bands (ev): -23.9681 -23.9681 -17.2035 -17.2035 -17.1183 -17.1183 -17.1110 -17.1110 -7.6464 -7.6464 -7.4034 -7.4034 -7.3477 -7.3477 -2.9369 -2.9369 -2.4511 -2.4511 -1.8891 -1.8891 -1.6440 -1.6440 -1.3899 -1.3899 0.2448 0.2448 1.0262 1.0262 1.5051 1.5051 1.5433 1.5433 1.6424 1.6424 1.9650 1.9650 2.0051 2.0051 2.2101 2.2101 3.8613 3.8613 10.9616 10.9616 12.5182 12.5182 12.6373 12.6373 12.7287 12.7287 k = 0.5000 0.5000 0.0541 ( 3264 PWs) bands (ev): -23.9680 -23.9680 -17.2024 -17.2024 -17.1182 -17.1182 -17.1109 -17.1109 -7.6470 -7.6470 -7.4039 -7.4039 -7.3489 -7.3489 -2.9369 -2.9369 -2.4544 -2.4544 -1.8885 -1.8885 -1.6471 -1.6471 -1.3934 -1.3934 0.1365 0.1365 1.1428 1.1428 1.5104 1.5104 1.5487 1.5487 1.6448 1.6448 1.9669 1.9669 2.0061 2.0061 2.2103 2.2103 3.8613 3.8613 10.9659 10.9659 12.4990 12.4990 12.6174 12.6174 12.7407 12.7407 k = 0.5000 0.5000 0.0676 ( 3264 PWs) bands (ev): -23.9680 -23.9680 -17.2008 -17.2008 -17.1181 -17.1181 -17.1108 -17.1108 -7.6478 -7.6478 -7.4044 -7.4044 -7.3505 -7.3505 -2.9369 -2.9369 -2.4587 -2.4587 -1.8877 -1.8877 -1.6509 -1.6509 -1.3977 -1.3977 0.0278 0.0278 1.2618 1.2618 1.5174 1.5174 1.5554 1.5554 1.6478 1.6478 1.9694 1.9694 2.0075 2.0075 2.2105 2.2105 3.8613 3.8613 10.9714 10.9714 12.4750 12.4750 12.5927 12.5927 12.7562 12.7562 k = 0.5000 0.5000 0.0811 ( 3260 PWs) bands (ev): -23.9679 -23.9679 -17.1990 -17.1990 -17.1179 -17.1179 -17.1107 -17.1107 -7.6488 -7.6488 -7.4051 -7.4051 -7.3524 -7.3524 -2.9368 -2.9368 -2.4639 -2.4639 -1.8867 -1.8867 -1.6556 -1.6556 -1.4029 -1.4029 -0.0797 -0.0797 1.3809 1.3809 1.5267 1.5267 1.5634 1.5634 1.6516 1.6516 1.9727 1.9727 2.0092 2.0092 2.2108 2.2108 3.8614 3.8614 10.9781 10.9781 12.4468 12.4468 12.5636 12.5636 12.7750 12.7750 k = 0.5000 0.5000 0.0946 ( 3260 PWs) bands (ev): -23.9678 -23.9678 -17.1969 -17.1969 -17.1178 -17.1178 -17.1105 -17.1105 -7.6499 -7.6499 -7.4059 -7.4059 -7.3545 -7.3545 -2.9368 -2.9368 -2.4703 -2.4703 -1.8857 -1.8857 -1.6609 -1.6609 -1.4088 -1.4088 -0.1854 -0.1854 1.4915 1.4915 1.5457 1.5457 1.5724 1.5724 1.6561 1.6561 1.9770 1.9770 2.0113 2.0113 2.2111 2.2111 3.8614 3.8614 10.9860 10.9860 12.4149 12.4149 12.5308 12.5308 12.7972 12.7972 k = 0.5000 0.5000 0.1081 ( 3268 PWs) bands (ev): -23.9677 -23.9677 -17.1945 -17.1945 -17.1176 -17.1176 -17.1103 -17.1103 -7.6512 -7.6512 -7.4069 -7.4069 -7.3570 -7.3570 -2.9367 -2.9367 -2.4778 -2.4778 -1.8845 -1.8845 -1.6669 -1.6669 -1.4155 -1.4155 -0.2888 -0.2888 1.5347 1.5347 1.5823 1.5823 1.6322 1.6322 1.6615 1.6615 1.9828 1.9828 2.0137 2.0137 2.2114 2.2114 3.8615 3.8615 10.9951 10.9951 12.3797 12.3797 12.4948 12.4948 12.8227 12.8227 k = 0.5000 0.5000 0.1216 ( 3276 PWs) bands (ev): -23.9676 -23.9676 -17.1918 -17.1918 -17.1174 -17.1174 -17.1101 -17.1101 -7.6527 -7.6527 -7.4079 -7.4079 -7.3598 -7.3598 -2.9367 -2.9367 -2.4864 -2.4864 -1.8832 -1.8832 -1.6736 -1.6736 -1.4229 -1.4229 -0.3893 -0.3893 1.5486 1.5486 1.5927 1.5927 1.6677 1.6677 1.7462 1.7462 1.9914 1.9914 2.0166 2.0166 2.2118 2.2118 3.8615 3.8615 11.0055 11.0055 12.3419 12.3419 12.4561 12.4561 12.8516 12.8516 k = 0.5000 0.5000 0.1351 ( 3268 PWs) bands (ev): -23.9674 -23.9674 -17.1889 -17.1889 -17.1172 -17.1172 -17.1099 -17.1099 -7.6542 -7.6542 -7.4090 -7.4090 -7.3627 -7.3627 -2.9365 -2.9365 -2.4962 -2.4962 -1.8818 -1.8818 -1.6807 -1.6807 -1.4307 -1.4307 -0.4866 -0.4866 1.5609 1.5609 1.6035 1.6035 1.6750 1.6750 1.8549 1.8549 2.0075 2.0075 2.0200 2.0200 2.2124 2.2124 3.8616 3.8616 11.0171 11.0171 12.3019 12.3019 12.4153 12.4153 12.8837 12.8837 k = 0.5000 0.5000 0.1486 ( 3268 PWs) bands (ev): -23.9673 -23.9673 -17.1857 -17.1857 -17.1169 -17.1169 -17.1097 -17.1097 -7.6559 -7.6559 -7.4102 -7.4102 -7.3659 -7.3659 -2.9364 -2.9364 -2.5071 -2.5071 -1.8804 -1.8804 -1.6884 -1.6884 -1.4391 -1.4391 -0.5806 -0.5806 1.5732 1.5732 1.6143 1.6143 1.6834 1.6834 1.9364 1.9364 2.0239 2.0239 2.0508 2.0508 2.2132 2.2132 3.8617 3.8617 11.0299 11.0299 12.2602 12.2602 12.3728 12.3728 12.9191 12.9191 k = 0.5000 0.5000 0.1622 ( 3276 PWs) bands (ev): -23.9672 -23.9672 -17.1824 -17.1824 -17.1167 -17.1167 -17.1094 -17.1094 -7.6577 -7.6577 -7.4115 -7.4115 -7.3693 -7.3693 -2.9363 -2.9363 -2.5193 -2.5193 -1.8789 -1.8789 -1.6965 -1.6965 -1.4479 -1.4479 -0.6709 -0.6709 1.5857 1.5857 1.6248 1.6248 1.6928 1.6928 1.9711 1.9711 2.0283 2.0283 2.1390 2.1390 2.2150 2.2150 3.8617 3.8617 11.0439 11.0439 12.2171 12.2171 12.3291 12.3291 12.9577 12.9577 k = 0.5000 0.5000 0.1757 ( 3276 PWs) bands (ev): -23.9670 -23.9670 -17.1788 -17.1788 -17.1164 -17.1164 -17.1092 -17.1092 -7.6597 -7.6597 -7.4128 -7.4128 -7.3729 -7.3729 -2.9362 -2.9362 -2.5328 -2.5328 -1.8774 -1.8774 -1.7049 -1.7049 -1.4569 -1.4569 -0.7573 -0.7573 1.5983 1.5983 1.6349 1.6349 1.7034 1.7034 1.9866 1.9866 2.0333 2.0333 2.2086 2.2086 2.2540 2.2540 3.8618 3.8618 11.0590 11.0590 12.1732 12.1732 12.2846 12.2846 12.9994 12.9994 k = 0.5000 0.5000 0.1892 ( 3272 PWs) bands (ev): -23.9668 -23.9668 -17.1751 -17.1751 -17.1161 -17.1161 -17.1089 -17.1089 -7.6617 -7.6617 -7.4142 -7.4142 -7.3766 -7.3766 -2.9361 -2.9361 -2.5474 -2.5474 -1.8759 -1.8759 -1.7136 -1.7136 -1.4662 -1.4662 -0.8396 -0.8396 1.6110 1.6110 1.6445 1.6445 1.7149 1.7149 1.9977 1.9977 2.0389 2.0389 2.2123 2.2123 2.3621 2.3621 3.8619 3.8619 11.0754 11.0754 12.1288 12.1288 12.2396 12.2396 13.0442 13.0442 k = 0.5000 0.5000 0.2027 ( 3272 PWs) bands (ev): -23.9667 -23.9667 -17.1713 -17.1713 -17.1158 -17.1158 -17.1086 -17.1086 -7.6638 -7.6638 -7.4157 -7.4157 -7.3804 -7.3804 -2.9360 -2.9360 -2.5634 -2.5634 -1.8745 -1.8745 -1.7226 -1.7226 -1.4756 -1.4756 -0.9177 -0.9177 1.6235 1.6235 1.6534 1.6534 1.7271 1.7271 2.0078 2.0078 2.0452 2.0452 2.2134 2.2134 2.4723 2.4723 3.8620 3.8620 11.0929 11.0929 12.0843 12.0843 12.1945 12.1945 13.0920 13.0920 k = 0.5000 0.5000 0.2162 ( 3264 PWs) bands (ev): -23.9665 -23.9665 -17.1673 -17.1673 -17.1154 -17.1154 -17.1083 -17.1083 -7.6659 -7.6659 -7.4171 -7.4171 -7.3842 -7.3842 -2.9359 -2.9359 -2.5806 -2.5806 -1.8730 -1.8730 -1.7317 -1.7317 -1.4850 -1.4850 -0.9914 -0.9914 1.6358 1.6358 1.6619 1.6619 1.7399 1.7399 2.0178 2.0178 2.0523 2.0523 2.2141 2.2141 2.5812 2.5812 3.8621 3.8621 11.1115 11.1115 12.0399 12.0399 12.1495 12.1495 13.1427 13.1427 k = 0.5000 0.5000 0.2297 ( 3264 PWs) bands (ev): -23.9663 -23.9663 -17.1633 -17.1633 -17.1151 -17.1151 -17.1080 -17.1080 -7.6681 -7.6681 -7.4186 -7.4186 -7.3882 -7.3882 -2.9358 -2.9358 -2.5991 -2.5991 -1.8717 -1.8717 -1.7410 -1.7410 -1.4943 -1.4943 -1.0606 -1.0606 1.6477 1.6477 1.6698 1.6698 1.7528 1.7528 2.0281 2.0281 2.0601 2.0601 2.2148 2.2148 2.6877 2.6877 3.8622 3.8622 11.1311 11.1311 11.9959 11.9959 12.1050 12.1050 13.1961 13.1961 k = 0.5000 0.5000 0.2432 ( 3252 PWs) bands (ev): -23.9661 -23.9661 -17.1592 -17.1592 -17.1148 -17.1148 -17.1077 -17.1077 -7.6703 -7.6703 -7.4202 -7.4202 -7.3921 -7.3921 -2.9356 -2.9356 -2.6186 -2.6186 -1.8704 -1.8704 -1.7502 -1.7502 -1.5035 -1.5035 -1.1252 -1.1252 1.6592 1.6592 1.6774 1.6774 1.7656 1.7656 2.0388 2.0388 2.0686 2.0686 2.2154 2.2154 2.7915 2.7915 3.8623 3.8623 11.1518 11.1518 11.9526 11.9526 12.0612 12.0612 13.2522 13.2522 k = 0.5000 0.5000 0.2568 ( 3252 PWs) bands (ev): -23.9659 -23.9659 -17.1551 -17.1551 -17.1144 -17.1144 -17.1074 -17.1074 -7.6726 -7.6726 -7.4217 -7.4217 -7.3961 -7.3961 -2.9355 -2.9355 -2.6392 -2.6392 -1.8693 -1.8693 -1.7595 -1.7595 -1.5126 -1.5126 -1.1852 -1.1852 1.6700 1.6700 1.6846 1.6846 1.7780 1.7780 2.0499 2.0499 2.0779 2.0779 2.2160 2.2160 2.8920 2.8920 3.8624 3.8624 11.1733 11.1733 11.9104 11.9104 12.0183 12.0183 13.3108 13.3108 k = 0.5000 0.5000 0.2703 ( 3260 PWs) bands (ev): -23.9658 -23.9658 -17.1511 -17.1511 -17.1141 -17.1141 -17.1071 -17.1071 -7.6749 -7.6749 -7.4232 -7.4232 -7.4000 -7.4000 -2.9354 -2.9354 -2.6608 -2.6608 -1.8683 -1.8683 -1.7688 -1.7688 -1.5214 -1.5214 -1.2406 -1.2406 1.6801 1.6801 1.6915 1.6915 1.7898 1.7898 2.0614 2.0614 2.0879 2.0879 2.2167 2.2167 2.9888 2.9888 3.8625 3.8625 11.1957 11.1957 11.8693 11.8693 11.9765 11.9765 13.3716 13.3716 k = 0.5000 0.5000 0.2838 ( 3276 PWs) bands (ev): -23.9656 -23.9656 -17.1471 -17.1471 -17.1137 -17.1137 -17.1069 -17.1069 -7.6772 -7.6772 -7.4248 -7.4248 -7.4039 -7.4039 -2.9354 -2.9354 -2.6830 -2.6830 -1.8676 -1.8676 -1.7781 -1.7781 -1.5300 -1.5300 -1.2915 -1.2915 1.6896 1.6896 1.6981 1.6981 1.8010 1.8010 2.0732 2.0732 2.0984 2.0984 2.2173 2.2173 3.0820 3.0820 3.8626 3.8626 11.2187 11.2187 11.8297 11.8297 11.9362 11.9362 13.4345 13.4345 k = 0.5000 0.5000 0.2973 ( 3276 PWs) bands (ev): -23.9654 -23.9654 -17.1432 -17.1432 -17.1133 -17.1133 -17.1066 -17.1066 -7.6794 -7.6794 -7.4263 -7.4263 -7.4076 -7.4076 -2.9353 -2.9353 -2.7057 -2.7057 -1.8670 -1.8670 -1.7871 -1.7871 -1.5380 -1.5380 -1.3378 -1.3378 1.6983 1.6983 1.7043 1.7043 1.8114 1.8114 2.0853 2.0853 2.1095 2.1095 2.2179 2.2179 3.1710 3.1710 3.8626 3.8626 11.2423 11.2423 11.7919 11.7919 11.8973 11.8973 13.4991 13.4991 k = 0.5000 0.5000 0.3108 ( 3276 PWs) bands (ev): -23.9653 -23.9653 -17.1394 -17.1394 -17.1129 -17.1129 -17.1063 -17.1063 -7.6816 -7.6816 -7.4277 -7.4277 -7.4113 -7.4113 -2.9352 -2.9352 -2.7287 -2.7287 -1.8664 -1.8664 -1.7959 -1.7959 -1.5456 -1.5456 -1.3798 -1.3798 1.7063 1.7063 1.7103 1.7103 1.8209 1.8209 2.0975 2.0975 2.1210 2.1210 2.2186 2.2186 3.2556 3.2556 3.8627 3.8627 11.2662 11.2662 11.7560 11.7560 11.8602 11.8602 13.5175 13.5175 k = 0.5000 0.5000 0.3243 ( 3268 PWs) bands (ev): -23.9651 -23.9651 -17.1357 -17.1357 -17.1125 -17.1125 -17.1060 -17.1060 -7.6837 -7.6837 -7.4291 -7.4291 -7.4147 -7.4147 -2.9350 -2.9350 -2.7516 -2.7516 -1.8660 -1.8660 -1.8044 -1.8044 -1.5527 -1.5527 -1.4176 -1.4176 1.7135 1.7135 1.7160 1.7160 1.8296 1.8296 2.1096 2.1096 2.1327 2.1327 2.2192 2.2192 3.3356 3.3356 3.8628 3.8628 11.2901 11.2901 11.7223 11.7223 11.8249 11.8249 13.4588 13.4588 k = 0.5000 0.5000 0.3378 ( 3268 PWs) bands (ev): -23.9649 -23.9649 -17.1323 -17.1323 -17.1120 -17.1120 -17.1058 -17.1058 -7.6858 -7.6858 -7.4304 -7.4304 -7.4181 -7.4181 -2.9350 -2.9350 -2.7743 -2.7743 -1.8658 -1.8658 -1.8126 -1.8126 -1.5594 -1.5594 -1.4514 -1.4514 1.7201 1.7201 1.7213 1.7213 1.8374 1.8374 2.1216 2.1216 2.1444 2.1444 2.2199 2.2199 3.4107 3.4107 3.8629 3.8629 11.3138 11.3138 11.6910 11.6910 11.7917 11.7917 13.4021 13.4021 k = 0.5000 0.5000 0.3514 ( 3264 PWs) bands (ev): -23.9648 -23.9648 -17.1291 -17.1291 -17.1115 -17.1115 -17.1055 -17.1055 -7.6877 -7.6877 -7.4317 -7.4317 -7.4212 -7.4212 -2.9349 -2.9349 -2.7965 -2.7965 -1.8657 -1.8657 -1.8205 -1.8205 -1.5654 -1.5654 -1.4814 -1.4814 1.7259 1.7259 1.7263 1.7263 1.8444 1.8444 2.1331 2.1331 2.1561 2.1561 2.2207 2.2207 3.4807 3.4807 3.8630 3.8630 11.3367 11.3367 11.6626 11.6626 11.7606 11.7606 13.3477 13.3477 k = 0.5000 0.5000 0.3649 ( 3272 PWs) bands (ev): -23.9647 -23.9647 -17.1262 -17.1262 -17.1110 -17.1110 -17.1053 -17.1053 -7.6896 -7.6896 -7.4329 -7.4329 -7.4242 -7.4242 -2.9348 -2.9348 -2.8179 -2.8179 -1.8658 -1.8658 -1.8281 -1.8281 -1.5711 -1.5711 -1.5079 -1.5079 1.7309 1.7309 1.7311 1.7311 1.8506 1.8506 2.1442 2.1442 2.1673 2.1673 2.2214 2.2214 3.5453 3.5453 3.8631 3.8631 11.3585 11.3585 11.6374 11.6374 11.7318 11.7318 13.2960 13.2960 k = 0.5000 0.5000 0.3784 ( 3264 PWs) bands (ev): -23.9645 -23.9645 -17.1236 -17.1236 -17.1103 -17.1103 -17.1051 -17.1051 -7.6913 -7.6913 -7.4340 -7.4340 -7.4269 -7.4269 -2.9347 -2.9347 -2.8381 -2.8381 -1.8659 -1.8659 -1.8350 -1.8350 -1.5760 -1.5760 -1.5309 -1.5309 1.7351 1.7351 1.7357 1.7357 1.8561 1.8561 2.1545 2.1545 2.1782 2.1782 2.2222 2.2222 3.6044 3.6044 3.8632 3.8632 11.3784 11.3784 11.6159 11.6159 11.7054 11.7054 13.2472 13.2472 k = 0.5000 0.5000 0.3919 ( 3256 PWs) bands (ev): -23.9644 -23.9644 -17.1213 -17.1213 -17.1096 -17.1096 -17.1049 -17.1049 -7.6928 -7.6928 -7.4350 -7.4350 -7.4293 -7.4293 -2.9346 -2.9346 -2.8569 -2.8569 -1.8661 -1.8661 -1.8415 -1.8415 -1.5805 -1.5805 -1.5509 -1.5509 1.7389 1.7389 1.7397 1.7397 1.8609 1.8609 2.1641 2.1641 2.1883 2.1883 2.2231 2.2231 3.6580 3.6580 3.8632 3.8632 11.3955 11.3955 11.5986 11.5986 11.6815 11.6815 13.2019 13.2019 k = 0.5000 0.5000 0.4054 ( 3256 PWs) bands (ev): -23.9643 -23.9643 -17.1195 -17.1195 -17.1087 -17.1087 -17.1047 -17.1047 -7.6942 -7.6942 -7.4359 -7.4359 -7.4316 -7.4316 -2.9346 -2.9346 -2.8741 -2.8741 -1.8664 -1.8664 -1.8474 -1.8474 -1.5844 -1.5844 -1.5679 -1.5679 1.7423 1.7423 1.7431 1.7431 1.8650 1.8650 2.1726 2.1726 2.1977 2.1977 2.2241 2.2241 3.7055 3.7055 3.8633 3.8633 11.4090 11.4090 11.5863 11.5863 11.6601 11.6601 13.1603 13.1603 k = 0.5000 0.5000 0.4189 ( 3256 PWs) bands (ev): -23.9642 -23.9642 -17.1181 -17.1181 -17.1078 -17.1078 -17.1045 -17.1045 -7.6955 -7.6955 -7.4367 -7.4367 -7.4335 -7.4335 -2.9345 -2.9345 -2.8895 -2.8895 -1.8667 -1.8667 -1.8527 -1.8527 -1.5877 -1.5877 -1.5822 -1.5822 1.7453 1.7453 1.7460 1.7460 1.8685 1.8685 2.1800 2.1800 2.2060 2.2060 2.2252 2.2252 3.7470 3.7470 3.8633 3.8633 11.4182 11.4182 11.5792 11.5792 11.6415 11.6415 13.1229 13.1229 k = 0.5000 0.5000 0.4324 ( 3256 PWs) bands (ev): -23.9641 -23.9641 -17.1170 -17.1170 -17.1069 -17.1069 -17.1044 -17.1044 -7.6966 -7.6966 -7.4374 -7.4374 -7.4352 -7.4352 -2.9345 -2.9345 -2.9028 -2.9028 -1.8670 -1.8670 -1.8572 -1.8572 -1.5940 -1.5940 -1.5905 -1.5905 1.7479 1.7479 1.7484 1.7484 1.8714 1.8714 2.1862 2.1862 2.2133 2.2133 2.2264 2.2264 3.7823 3.7823 3.8634 3.8634 11.4230 11.4230 11.5771 11.5771 11.6256 11.6256 13.0903 13.0903 k = 0.5000 0.5000 0.4459 ( 3256 PWs) bands (ev): -23.9640 -23.9640 -17.1162 -17.1162 -17.1060 -17.1060 -17.1043 -17.1043 -7.6975 -7.6975 -7.4380 -7.4380 -7.4366 -7.4366 -2.9344 -2.9344 -2.9140 -2.9140 -1.8673 -1.8673 -1.8610 -1.8610 -1.6035 -1.6035 -1.5928 -1.5928 1.7499 1.7499 1.7503 1.7503 1.8737 1.8737 2.1911 2.1911 2.2195 2.2195 2.2276 2.2276 3.8114 3.8114 3.8634 3.8634 11.4245 11.4245 11.5785 11.5785 11.6125 11.6125 13.0628 13.0628 k = 0.5000 0.5000 0.4595 ( 3268 PWs) bands (ev): -23.9640 -23.9640 -17.1157 -17.1157 -17.1052 -17.1052 -17.1042 -17.1042 -7.6982 -7.6982 -7.4385 -7.4385 -7.4377 -7.4377 -2.9344 -2.9344 -2.9229 -2.9229 -1.8676 -1.8676 -1.8640 -1.8640 -1.6107 -1.6107 -1.5946 -1.5946 1.7515 1.7515 1.7518 1.7518 1.8755 1.8755 2.1948 2.1948 2.2243 2.2243 2.2288 2.2288 3.8341 3.8341 3.8633 3.8633 11.4238 11.4238 11.5818 11.5818 11.6022 11.6022 13.0409 13.0409 k = 0.5000 0.5000 0.4730 ( 3268 PWs) bands (ev): -23.9640 -23.9640 -17.1153 -17.1153 -17.1046 -17.1046 -17.1041 -17.1041 -7.6987 -7.6987 -7.4388 -7.4388 -7.4384 -7.4384 -2.9344 -2.9344 -2.9293 -2.9293 -1.8678 -1.8678 -1.8661 -1.8661 -1.6157 -1.6157 -1.5958 -1.5958 1.7527 1.7527 1.7528 1.7528 1.8768 1.8768 2.1973 2.1973 2.2278 2.2278 2.2297 2.2297 3.8503 3.8503 3.8634 3.8634 11.4224 11.4224 11.5854 11.5854 11.5949 11.5949 13.0249 13.0249 k = 0.5000 0.5000 0.4865 ( 3268 PWs) bands (ev): -23.9639 -23.9639 -17.1151 -17.1151 -17.1042 -17.1042 -17.1041 -17.1041 -7.6990 -7.6990 -7.4390 -7.4390 -7.4389 -7.4389 -2.9344 -2.9344 -2.9331 -2.9331 -1.8679 -1.8679 -1.8674 -1.8674 -1.6187 -1.6187 -1.5966 -1.5966 1.7534 1.7534 1.7535 1.7535 1.8775 1.8775 2.1988 2.1988 2.2299 2.2299 2.2304 2.2304 3.8601 3.8601 3.8634 3.8634 11.4212 11.4212 11.5881 11.5881 11.5905 11.5905 13.0152 13.0152 k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev): -23.9640 -23.9640 -17.1151 -17.1151 -17.1041 -17.1041 -17.1041 -17.1041 -7.6992 -7.6992 -7.4392 -7.4392 -7.4392 -7.4392 -2.9345 -2.9345 -2.9345 -2.9345 -1.8682 -1.8682 -1.8682 -1.8682 -1.6198 -1.6198 -1.5971 -1.5971 1.7535 1.7535 1.7535 1.7535 1.8776 1.8776 2.1992 2.1992 2.2306 2.2306 2.2306 2.2306 3.8631 3.8631 3.8631 3.8631 11.4208 11.4208 11.5890 11.5890 11.5890 11.5890 13.0119 13.0119 Writing output data file KCdF3.save init_run : 0.60s CPU 1.18s WALL ( 1 calls) electrons : 108.77s CPU 111.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.04s CPU 0.21s WALL ( 1 calls) Called by electrons: c_bands : 108.77s CPU 111.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 284 calls) cegterg : 100.17s CPU 101.60s WALL ( 353 calls) Called by sum_band: Called by *egterg: h_psi : 56.56s CPU 57.61s WALL ( 6156 calls) s_psi : 2.37s CPU 2.56s WALL ( 6156 calls) g_psi : 0.15s CPU 0.14s WALL ( 5519 calls) cdiaghg : 38.20s CPU 38.54s WALL ( 5803 calls) cegterg:over : 3.75s CPU 3.66s WALL ( 5519 calls) cegterg:upda : 2.85s CPU 2.91s WALL ( 5519 calls) cegterg:last : 1.58s CPU 1.66s WALL ( 921 calls) cdiaghg:chol : 2.06s CPU 2.13s WALL ( 5803 calls) cdiaghg:inve : 1.36s CPU 1.42s WALL ( 5803 calls) cdiaghg:para : 2.20s CPU 2.19s WALL ( 11606 calls) Called by h_psi: h_psi:vloc : 50.52s CPU 51.56s WALL ( 6156 calls) h_psi:vnl : 5.93s CPU 5.93s WALL ( 6156 calls) add_vuspsi : 2.92s CPU 2.91s WALL ( 6156 calls) General routines calbec : 3.00s CPU 3.00s WALL ( 6156 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.90s CPU 46.88s WALL ( 604764 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 568 calls) Parallel routines fft_scatter : 17.15s CPU 17.23s WALL ( 604787 calls) PWSCF : 2m 1.59s CPU 2m32.35s WALL This run was terminated on: 16:46:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=