Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:43:57 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: ./RbCdF3.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 Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 97 30 9 4351 754 123 Max 98 31 10 4358 781 126 Sum 3521 1101 333 156795 27609 4457 bravais-lattice index = 14 lattice parameter (alat) = 8.3148 a.u. unit-cell volume = 574.8500 (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)= 8.314794 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 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) Rb 9.00 85.46780 Rb( 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= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0035971 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0035971 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0035971 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0035971 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0035971 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0035971 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0035971 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0035971 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0035971 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0035971 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0035971 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0035971 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0035971 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0035971 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0035971 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0035971 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0035971 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0035971 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0035971 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0035971 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0035971 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0035971 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0035971 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0035971 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0035971 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0035971 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0035971 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0035971 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0035971 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0035971 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0035971 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0035971 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0035971 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0035971 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0035971 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0035971 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0035971 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0035971 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0035971 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0035971 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0035971 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0035971 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0035971 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0035971 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0035971 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0035971 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0035971 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0035971 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0035971 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0035971 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0035971 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0035971 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0035971 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0035971 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0035971 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0035971 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0035971 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0035971 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0035971 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0035971 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0035971 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0035971 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0035971 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0035971 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0035971 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0035971 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0035971 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0035971 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0035971 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0035971 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0035971 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0035971 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0035971 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0035971 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0035971 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0035971 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0035971 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0035971 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0035971 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0035971 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0035971 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0035971 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035971 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0035971 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0035971 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0035971 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0035971 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0035971 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0035971 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0035971 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0035971 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0035971 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0035971 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0035971 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0035971 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0035971 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0035971 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0035971 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0035971 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035971 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0035971 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0035971 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0035971 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0035971 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0035971 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0035971 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0035971 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0035971 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0035971 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0035971 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0035971 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0035971 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0035971 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0035971 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0035971 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 128) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0035971 k( 129) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0035971 k( 130) = ( 0.0241936 0.0241935 0.0241935), wk = 0.0035971 k( 131) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0035971 k( 132) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0035971 k( 133) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0035971 k( 134) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0035971 k( 135) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0035971 k( 136) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0035971 k( 137) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0035971 k( 138) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0035971 k( 139) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0035971 k( 140) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0035971 k( 141) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0035971 k( 142) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0035971 k( 143) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0035971 k( 144) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0035971 k( 145) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0035971 k( 146) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0035971 k( 147) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0035971 k( 148) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0035971 k( 149) = ( 0.1774194 0.1774193 0.1774193), wk = 0.0035971 k( 150) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0035971 k( 151) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0035971 k( 152) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0035971 k( 153) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0035971 k( 154) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0035971 k( 155) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0035971 k( 156) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0035971 k( 157) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0035971 k( 158) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 159) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0035971 k( 160) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0035971 k( 161) = ( 0.2741936 0.2741936 0.2741935), wk = 0.0035971 k( 162) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0035971 k( 163) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0035971 k( 164) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0035971 k( 165) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0035971 k( 166) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0035971 k( 167) = ( 0.3225807 0.3225806 0.3225806), wk = 0.0035971 k( 168) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0035971 k( 169) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0035971 k( 170) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0035971 k( 171) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0035971 k( 172) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0035971 k( 173) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0035971 k( 174) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0035971 k( 175) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0035971 k( 176) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0035971 k( 177) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0035971 k( 178) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0035971 k( 179) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0035971 k( 180) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0035971 k( 181) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0035971 k( 182) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0035971 k( 183) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0035971 k( 184) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0035971 k( 185) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0035971 k( 186) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0035971 k( 187) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0035971 k( 188) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0035971 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 191) = ( 0.4901961 0.5000000 0.4901961), wk = 0.0035971 k( 192) = ( 0.4803922 0.5000000 0.4803922), wk = 0.0035971 k( 193) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0035971 k( 194) = ( 0.4607843 0.5000000 0.4607843), wk = 0.0035971 k( 195) = ( 0.4509804 0.5000000 0.4509804), wk = 0.0035971 k( 196) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0035971 k( 197) = ( 0.4313726 0.5000000 0.4313725), wk = 0.0035971 k( 198) = ( 0.4215686 0.5000000 0.4215686), wk = 0.0035971 k( 199) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0035971 k( 200) = ( 0.4019608 0.5000000 0.4019608), wk = 0.0035971 k( 201) = ( 0.3921569 0.5000000 0.3921569), wk = 0.0035971 k( 202) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0035971 k( 203) = ( 0.3725490 0.5000000 0.3725490), wk = 0.0035971 k( 204) = ( 0.3627451 0.5000000 0.3627451), wk = 0.0035971 k( 205) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0035971 k( 206) = ( 0.3431373 0.5000000 0.3431372), wk = 0.0035971 k( 207) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0035971 k( 208) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0035971 k( 209) = ( 0.3137255 0.5000000 0.3137255), wk = 0.0035971 k( 210) = ( 0.3039216 0.5000000 0.3039216), wk = 0.0035971 k( 211) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0035971 k( 212) = ( 0.2843137 0.5000000 0.2843137), wk = 0.0035971 k( 213) = ( 0.2745098 0.5000000 0.2745098), wk = 0.0035971 k( 214) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0035971 k( 215) = ( 0.2549020 0.5000000 0.2549020), wk = 0.0035971 k( 216) = ( 0.2450980 0.5000000 0.2450980), wk = 0.0035971 k( 217) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0035971 k( 218) = ( 0.2254902 0.5000000 0.2254902), wk = 0.0035971 k( 219) = ( 0.2156863 0.5000000 0.2156863), wk = 0.0035971 k( 220) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0035971 k( 221) = ( 0.1960784 0.5000000 0.1960784), wk = 0.0035971 k( 222) = ( 0.1862745 0.5000000 0.1862745), wk = 0.0035971 k( 223) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0035971 k( 224) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0035971 k( 225) = ( 0.1568627 0.5000000 0.1568627), wk = 0.0035971 k( 226) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0035971 k( 227) = ( 0.1372549 0.5000000 0.1372549), wk = 0.0035971 k( 228) = ( 0.1274510 0.5000000 0.1274510), wk = 0.0035971 k( 229) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0035971 k( 230) = ( 0.1078431 0.5000000 0.1078431), wk = 0.0035971 k( 231) = ( 0.0980392 0.5000000 0.0980392), wk = 0.0035971 k( 232) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0035971 k( 233) = ( 0.0784314 0.5000000 0.0784314), wk = 0.0035971 k( 234) = ( 0.0686275 0.5000000 0.0686274), wk = 0.0035971 k( 235) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0035971 k( 236) = ( 0.0490196 0.5000000 0.0490196), wk = 0.0035971 k( 237) = ( 0.0392157 0.5000000 0.0392157), wk = 0.0035971 k( 238) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0035971 k( 239) = ( 0.0196078 0.5000000 0.0196078), wk = 0.0035971 k( 240) = ( 0.0098039 0.5000000 0.0098039), wk = 0.0035971 k( 241) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 242) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 243) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0035971 k( 244) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0035971 k( 245) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0035971 k( 246) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0035971 k( 247) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0035971 k( 248) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0035971 k( 249) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0035971 k( 250) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0035971 k( 251) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035971 k( 252) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0035971 k( 253) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0035971 k( 254) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0035971 k( 255) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0035971 k( 256) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0035971 k( 257) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0035971 k( 258) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0035971 k( 259) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0035971 k( 260) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035971 k( 261) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0035971 k( 262) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0035971 k( 263) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0035971 k( 264) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0035971 k( 265) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0035971 k( 266) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0035971 k( 267) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0035971 k( 268) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0035971 k( 269) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035971 k( 270) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0035971 k( 271) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0035971 k( 272) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0035971 k( 273) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0035971 k( 274) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0035971 k( 275) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0035971 k( 276) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0035971 k( 277) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0035971 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0035971 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0035971 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0035971 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0035971 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0035971 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0035971 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0035971 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0035971 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0035971 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0035971 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0035971 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0035971 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0035971 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0035971 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0035971 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0035971 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0035971 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0035971 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0035971 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0035971 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0035971 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0035971 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0035971 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0035971 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0035971 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0035971 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0035971 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0035971 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0035971 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0035971 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0035971 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0035971 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0035971 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0035971 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0035971 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0035971 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0035971 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0035971 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0035971 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0035971 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0035971 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0035971 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0035971 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0035971 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0035971 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0035971 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0035971 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0035971 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0035971 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0035971 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0035971 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0035971 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0035971 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0035971 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0035971 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0035971 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0035971 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0035971 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0035971 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0035971 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0035971 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0035971 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0035971 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0035971 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0035971 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0035971 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0035971 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0035971 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0035971 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0035971 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 76) = ( 0.4901961 0.4901961 0.0000000), wk = 0.0035971 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0035971 k( 78) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0035971 k( 79) = ( 0.4607843 0.4607843 0.0000000), wk = 0.0035971 k( 80) = ( 0.4509804 0.4509804 0.0000000), wk = 0.0035971 k( 81) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0035971 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0035971 k( 83) = ( 0.4215686 0.4215686 0.0000000), wk = 0.0035971 k( 84) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0035971 k( 85) = ( 0.4019608 0.4019608 0.0000000), wk = 0.0035971 k( 86) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0035971 k( 87) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0035971 k( 88) = ( 0.3725490 0.3725490 0.0000000), wk = 0.0035971 k( 89) = ( 0.3627451 0.3627451 0.0000000), wk = 0.0035971 k( 90) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0035971 k( 91) = ( 0.3431373 0.3431373 0.0000000), wk = 0.0035971 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 93) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0035971 k( 94) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0035971 k( 95) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0035971 k( 96) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0035971 k( 97) = ( 0.2843137 0.2843137 0.0000000), wk = 0.0035971 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0035971 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0035971 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0035971 k( 101) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0035971 k( 102) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0035971 k( 103) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0035971 k( 104) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0035971 k( 105) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0035971 k( 106) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0035971 k( 107) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0035971 k( 108) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0035971 k( 109) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035971 k( 110) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0035971 k( 111) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0035971 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0035971 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0035971 k( 114) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0035971 k( 115) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0035971 k( 116) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0035971 k( 117) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0035971 k( 118) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0035971 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0035971 k( 120) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0035971 k( 121) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0035971 k( 122) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0035971 k( 123) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0035971 k( 124) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0035971 k( 125) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 128) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0035971 k( 129) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0035971 k( 130) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0035971 k( 131) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0035971 k( 132) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0035971 k( 133) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0035971 k( 134) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0035971 k( 135) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0035971 k( 136) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0035971 k( 137) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0035971 k( 138) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0035971 k( 139) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0035971 k( 140) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0035971 k( 141) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0035971 k( 142) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0035971 k( 143) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0035971 k( 144) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0035971 k( 145) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0035971 k( 146) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0035971 k( 147) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0035971 k( 148) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0035971 k( 149) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0035971 k( 150) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0035971 k( 151) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0035971 k( 152) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0035971 k( 153) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0035971 k( 154) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0035971 k( 155) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0035971 k( 156) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0035971 k( 157) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0035971 k( 158) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 159) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0035971 k( 160) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0035971 k( 161) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0035971 k( 162) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0035971 k( 163) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0035971 k( 164) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0035971 k( 165) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0035971 k( 166) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0035971 k( 167) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0035971 k( 168) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0035971 k( 169) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0035971 k( 170) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0035971 k( 171) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0035971 k( 172) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0035971 k( 173) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0035971 k( 174) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0035971 k( 175) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0035971 k( 176) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0035971 k( 177) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0035971 k( 178) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0035971 k( 179) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0035971 k( 180) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0035971 k( 181) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0035971 k( 182) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0035971 k( 183) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0035971 k( 184) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0035971 k( 185) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0035971 k( 186) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0035971 k( 187) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0035971 k( 188) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0035971 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 191) = ( 0.4901961 0.5000000 0.4901961), wk = 0.0035971 k( 192) = ( 0.4803922 0.5000000 0.4803922), wk = 0.0035971 k( 193) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0035971 k( 194) = ( 0.4607843 0.5000000 0.4607843), wk = 0.0035971 k( 195) = ( 0.4509804 0.5000000 0.4509804), wk = 0.0035971 k( 196) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0035971 k( 197) = ( 0.4313726 0.5000000 0.4313726), wk = 0.0035971 k( 198) = ( 0.4215686 0.5000000 0.4215686), wk = 0.0035971 k( 199) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0035971 k( 200) = ( 0.4019608 0.5000000 0.4019608), wk = 0.0035971 k( 201) = ( 0.3921569 0.5000000 0.3921569), wk = 0.0035971 k( 202) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0035971 k( 203) = ( 0.3725490 0.5000000 0.3725490), wk = 0.0035971 k( 204) = ( 0.3627451 0.5000000 0.3627451), wk = 0.0035971 k( 205) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0035971 k( 206) = ( 0.3431373 0.5000000 0.3431373), wk = 0.0035971 k( 207) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0035971 k( 208) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0035971 k( 209) = ( 0.3137255 0.5000000 0.3137255), wk = 0.0035971 k( 210) = ( 0.3039216 0.5000000 0.3039216), wk = 0.0035971 k( 211) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0035971 k( 212) = ( 0.2843137 0.5000000 0.2843137), wk = 0.0035971 k( 213) = ( 0.2745098 0.5000000 0.2745098), wk = 0.0035971 k( 214) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0035971 k( 215) = ( 0.2549020 0.5000000 0.2549020), wk = 0.0035971 k( 216) = ( 0.2450980 0.5000000 0.2450980), wk = 0.0035971 k( 217) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0035971 k( 218) = ( 0.2254902 0.5000000 0.2254902), wk = 0.0035971 k( 219) = ( 0.2156863 0.5000000 0.2156863), wk = 0.0035971 k( 220) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0035971 k( 221) = ( 0.1960784 0.5000000 0.1960784), wk = 0.0035971 k( 222) = ( 0.1862745 0.5000000 0.1862745), wk = 0.0035971 k( 223) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0035971 k( 224) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0035971 k( 225) = ( 0.1568627 0.5000000 0.1568627), wk = 0.0035971 k( 226) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0035971 k( 227) = ( 0.1372549 0.5000000 0.1372549), wk = 0.0035971 k( 228) = ( 0.1274510 0.5000000 0.1274510), wk = 0.0035971 k( 229) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0035971 k( 230) = ( 0.1078431 0.5000000 0.1078431), wk = 0.0035971 k( 231) = ( 0.0980392 0.5000000 0.0980392), wk = 0.0035971 k( 232) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0035971 k( 233) = ( 0.0784314 0.5000000 0.0784314), wk = 0.0035971 k( 234) = ( 0.0686275 0.5000000 0.0686275), wk = 0.0035971 k( 235) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0035971 k( 236) = ( 0.0490196 0.5000000 0.0490196), wk = 0.0035971 k( 237) = ( 0.0392157 0.5000000 0.0392157), wk = 0.0035971 k( 238) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0035971 k( 239) = ( 0.0196078 0.5000000 0.0196078), wk = 0.0035971 k( 240) = ( 0.0098039 0.5000000 0.0098039), wk = 0.0035971 k( 241) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 242) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 243) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0035971 k( 244) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0035971 k( 245) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0035971 k( 246) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0035971 k( 247) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0035971 k( 248) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0035971 k( 249) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0035971 k( 250) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0035971 k( 251) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035971 k( 252) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0035971 k( 253) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0035971 k( 254) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0035971 k( 255) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0035971 k( 256) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0035971 k( 257) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0035971 k( 258) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0035971 k( 259) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0035971 k( 260) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035971 k( 261) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0035971 k( 262) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0035971 k( 263) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0035971 k( 264) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0035971 k( 265) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0035971 k( 266) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0035971 k( 267) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0035971 k( 268) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0035971 k( 269) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035971 k( 270) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0035971 k( 271) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0035971 k( 272) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0035971 k( 273) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0035971 k( 274) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0035971 k( 275) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0035971 k( 276) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0035971 k( 277) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0035971 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 Dense grid: 156795 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 27609 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 208, 50) NL pseudopotentials 0.17 Mb ( 104, 110) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4353) G-vector shells 0.01 Mb ( 801) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 208, 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 : ./RbCdF3.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.2 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.2 secs Computing kpt #: 20 total cpu time spent up to now is 10.6 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.4 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.4 secs Computing kpt #: 27 total cpu time spent up to now is 13.8 secs Computing kpt #: 28 total cpu time spent up to now is 14.3 secs Computing kpt #: 29 total cpu time spent up to now is 14.7 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.6 secs Computing kpt #: 32 total cpu time spent up to now is 16.0 secs Computing kpt #: 33 total cpu time spent up to now is 16.4 secs Computing kpt #: 34 total cpu time spent up to now is 16.8 secs Computing kpt #: 35 total cpu time spent up to now is 17.2 secs Computing kpt #: 36 total cpu time spent up to now is 17.6 secs Computing kpt #: 37 total cpu time spent up to now is 18.1 secs Computing kpt #: 38 total cpu time spent up to now is 18.5 secs Computing kpt #: 39 total cpu time spent up to now is 18.9 secs Computing kpt #: 40 total cpu time spent up to now is 19.3 secs Computing kpt #: 41 total cpu time spent up to now is 19.7 secs Computing kpt #: 42 total cpu time spent up to now is 20.1 secs Computing kpt #: 43 total cpu time spent up to now is 20.6 secs Computing kpt #: 44 total cpu time spent up to now is 21.0 secs Computing kpt #: 45 total cpu time spent up to now is 21.4 secs Computing kpt #: 46 total cpu time spent up to now is 21.8 secs Computing kpt #: 47 total cpu time spent up to now is 22.3 secs Computing kpt #: 48 total cpu time spent up to now is 22.7 secs Computing kpt #: 49 total cpu time spent up to now is 23.1 secs Computing kpt #: 50 total cpu time spent up to now is 23.5 secs Computing kpt #: 51 total cpu time spent up to now is 23.8 secs Computing kpt #: 52 total cpu time spent up to now is 24.2 secs Computing kpt #: 53 total cpu time spent up to now is 24.6 secs Computing kpt #: 54 total cpu time spent up to now is 25.0 secs Computing kpt #: 55 total cpu time spent up to now is 25.3 secs Computing kpt #: 56 total cpu time spent up to now is 25.7 secs Computing kpt #: 57 total cpu time spent up to now is 26.1 secs Computing kpt #: 58 total cpu time spent up to now is 26.4 secs Computing kpt #: 59 total cpu time spent up to now is 26.8 secs Computing kpt #: 60 total cpu time spent up to now is 27.2 secs Computing kpt #: 61 total cpu time spent up to now is 27.6 secs Computing kpt #: 62 total cpu time spent up to now is 27.9 secs Computing kpt #: 63 total cpu time spent up to now is 28.3 secs Computing kpt #: 64 total cpu time spent up to now is 28.7 secs Computing kpt #: 65 total cpu time spent up to now is 29.0 secs Computing kpt #: 66 total cpu time spent up to now is 29.4 secs Computing kpt #: 67 total cpu time spent up to now is 29.8 secs Computing kpt #: 68 total cpu time spent up to now is 30.1 secs Computing kpt #: 69 total cpu time spent up to now is 30.5 secs Computing kpt #: 70 total cpu time spent up to now is 30.9 secs Computing kpt #: 71 total cpu time spent up to now is 31.2 secs Computing kpt #: 72 total cpu time spent up to now is 31.6 secs Computing kpt #: 73 total cpu time spent up to now is 31.9 secs Computing kpt #: 74 total cpu time spent up to now is 32.3 secs Computing kpt #: 75 total cpu time spent up to now is 32.6 secs Computing kpt #: 76 total cpu time spent up to now is 33.0 secs Computing kpt #: 77 total cpu time spent up to now is 33.3 secs Computing kpt #: 78 total cpu time spent up to now is 33.7 secs Computing kpt #: 79 total cpu time spent up to now is 34.1 secs Computing kpt #: 80 total cpu time spent up to now is 34.4 secs Computing kpt #: 81 total cpu time spent up to now is 34.8 secs Computing kpt #: 82 total cpu time spent up to now is 35.2 secs Computing kpt #: 83 total cpu time spent up to now is 35.5 secs Computing kpt #: 84 total cpu time spent up to now is 35.9 secs Computing kpt #: 85 total cpu time spent up to now is 36.3 secs Computing kpt #: 86 total cpu time spent up to now is 36.7 secs Computing kpt #: 87 total cpu time spent up to now is 37.0 secs Computing kpt #: 88 total cpu time spent up to now is 37.4 secs Computing kpt #: 89 total cpu time spent up to now is 37.8 secs Computing kpt #: 90 total cpu time spent up to now is 38.2 secs Computing kpt #: 91 total cpu time spent up to now is 38.5 secs Computing kpt #: 92 total cpu time spent up to now is 38.9 secs Computing kpt #: 93 total cpu time spent up to now is 39.3 secs Computing kpt #: 94 total cpu time spent up to now is 39.7 secs Computing kpt #: 95 total cpu time spent up to now is 40.0 secs Computing kpt #: 96 total cpu time spent up to now is 40.4 secs Computing kpt #: 97 total cpu time spent up to now is 40.8 secs Computing kpt #: 98 total cpu time spent up to now is 41.2 secs Computing kpt #: 99 total cpu time spent up to now is 41.5 secs Computing kpt #: 100 total cpu time spent up to now is 41.9 secs Computing kpt #: 101 total cpu time spent up to now is 42.2 secs Computing kpt #: 102 total cpu time spent up to now is 42.6 secs Computing kpt #: 103 total cpu time spent up to now is 43.0 secs Computing kpt #: 104 total cpu time spent up to now is 43.3 secs Computing kpt #: 105 total cpu time spent up to now is 43.7 secs Computing kpt #: 106 total cpu time spent up to now is 44.1 secs Computing kpt #: 107 total cpu time spent up to now is 44.4 secs Computing kpt #: 108 total cpu time spent up to now is 44.8 secs Computing kpt #: 109 total cpu time spent up to now is 45.2 secs Computing kpt #: 110 total cpu time spent up to now is 45.5 secs Computing kpt #: 111 total cpu time spent up to now is 45.9 secs Computing kpt #: 112 total cpu time spent up to now is 46.3 secs Computing kpt #: 113 total cpu time spent up to now is 46.6 secs Computing kpt #: 114 total cpu time spent up to now is 47.0 secs Computing kpt #: 115 total cpu time spent up to now is 47.4 secs Computing kpt #: 116 total cpu time spent up to now is 47.7 secs Computing kpt #: 117 total cpu time spent up to now is 48.1 secs Computing kpt #: 118 total cpu time spent up to now is 48.4 secs Computing kpt #: 119 total cpu time spent up to now is 48.8 secs Computing kpt #: 120 total cpu time spent up to now is 49.2 secs Computing kpt #: 121 total cpu time spent up to now is 49.5 secs Computing kpt #: 122 total cpu time spent up to now is 49.9 secs Computing kpt #: 123 total cpu time spent up to now is 50.2 secs Computing kpt #: 124 total cpu time spent up to now is 50.6 secs Computing kpt #: 125 total cpu time spent up to now is 51.0 secs Computing kpt #: 126 total cpu time spent up to now is 51.3 secs Computing kpt #: 127 total cpu time spent up to now is 51.7 secs Computing kpt #: 128 total cpu time spent up to now is 52.0 secs Computing kpt #: 129 total cpu time spent up to now is 52.4 secs Computing kpt #: 130 total cpu time spent up to now is 52.8 secs Computing kpt #: 131 total cpu time spent up to now is 53.1 secs Computing kpt #: 132 total cpu time spent up to now is 53.5 secs Computing kpt #: 133 total cpu time spent up to now is 53.8 secs Computing kpt #: 134 total cpu time spent up to now is 54.2 secs Computing kpt #: 135 total cpu time spent up to now is 54.5 secs Computing kpt #: 136 total cpu time spent up to now is 54.9 secs Computing kpt #: 137 total cpu time spent up to now is 55.2 secs Computing kpt #: 138 total cpu time spent up to now is 55.6 secs Computing kpt #: 139 total cpu time spent up to now is 56.0 secs Computing kpt #: 140 total cpu time spent up to now is 56.3 secs Computing kpt #: 141 total cpu time spent up to now is 56.7 secs Computing kpt #: 142 total cpu time spent up to now is 57.0 secs Computing kpt #: 143 total cpu time spent up to now is 57.3 secs Computing kpt #: 144 total cpu time spent up to now is 57.7 secs Computing kpt #: 145 total cpu time spent up to now is 58.0 secs Computing kpt #: 146 total cpu time spent up to now is 58.4 secs Computing kpt #: 147 total cpu time spent up to now is 58.7 secs Computing kpt #: 148 total cpu time spent up to now is 59.1 secs Computing kpt #: 149 total cpu time spent up to now is 59.4 secs Computing kpt #: 150 total cpu time spent up to now is 59.8 secs Computing kpt #: 151 total cpu time spent up to now is 60.1 secs Computing kpt #: 152 total cpu time spent up to now is 60.5 secs Computing kpt #: 153 total cpu time spent up to now is 60.8 secs Computing kpt #: 154 total cpu time spent up to now is 61.2 secs Computing kpt #: 155 total cpu time spent up to now is 61.5 secs Computing kpt #: 156 total cpu time spent up to now is 61.9 secs Computing kpt #: 157 total cpu time spent up to now is 62.2 secs Computing kpt #: 158 total cpu time spent up to now is 62.6 secs Computing kpt #: 159 total cpu time spent up to now is 62.9 secs Computing kpt #: 160 total cpu time spent up to now is 63.3 secs Computing kpt #: 161 total cpu time spent up to now is 63.6 secs Computing kpt #: 162 total cpu time spent up to now is 64.0 secs Computing kpt #: 163 total cpu time spent up to now is 64.3 secs Computing kpt #: 164 total cpu time spent up to now is 64.7 secs Computing kpt #: 165 total cpu time spent up to now is 65.0 secs Computing kpt #: 166 total cpu time spent up to now is 65.4 secs Computing kpt #: 167 total cpu time spent up to now is 65.7 secs Computing kpt #: 168 total cpu time spent up to now is 66.1 secs Computing kpt #: 169 total cpu time spent up to now is 66.4 secs Computing kpt #: 170 total cpu time spent up to now is 66.8 secs Computing kpt #: 171 total cpu time spent up to now is 67.1 secs Computing kpt #: 172 total cpu time spent up to now is 67.5 secs Computing kpt #: 173 total cpu time spent up to now is 67.8 secs Computing kpt #: 174 total cpu time spent up to now is 68.2 secs Computing kpt #: 175 total cpu time spent up to now is 68.5 secs Computing kpt #: 176 total cpu time spent up to now is 68.8 secs Computing kpt #: 177 total cpu time spent up to now is 69.2 secs Computing kpt #: 178 total cpu time spent up to now is 69.5 secs Computing kpt #: 179 total cpu time spent up to now is 69.8 secs Computing kpt #: 180 total cpu time spent up to now is 70.2 secs Computing kpt #: 181 total cpu time spent up to now is 70.5 secs Computing kpt #: 182 total cpu time spent up to now is 70.8 secs Computing kpt #: 183 total cpu time spent up to now is 71.1 secs Computing kpt #: 184 total cpu time spent up to now is 71.4 secs Computing kpt #: 185 total cpu time spent up to now is 71.7 secs Computing kpt #: 186 total cpu time spent up to now is 72.0 secs Computing kpt #: 187 total cpu time spent up to now is 72.4 secs Computing kpt #: 188 total cpu time spent up to now is 72.7 secs Computing kpt #: 189 total cpu time spent up to now is 73.0 secs Computing kpt #: 190 total cpu time spent up to now is 73.3 secs Computing kpt #: 191 total cpu time spent up to now is 73.6 secs Computing kpt #: 192 total cpu time spent up to now is 73.9 secs Computing kpt #: 193 total cpu time spent up to now is 74.2 secs Computing kpt #: 194 total cpu time spent up to now is 74.5 secs Computing kpt #: 195 total cpu time spent up to now is 74.8 secs Computing kpt #: 196 total cpu time spent up to now is 75.1 secs Computing kpt #: 197 total cpu time spent up to now is 75.4 secs Computing kpt #: 198 total cpu time spent up to now is 75.7 secs Computing kpt #: 199 total cpu time spent up to now is 76.0 secs Computing kpt #: 200 total cpu time spent up to now is 76.4 secs Computing kpt #: 201 total cpu time spent up to now is 76.7 secs Computing kpt #: 202 total cpu time spent up to now is 77.0 secs Computing kpt #: 203 total cpu time spent up to now is 77.5 secs Computing kpt #: 204 total cpu time spent up to now is 77.8 secs Computing kpt #: 205 total cpu time spent up to now is 78.1 secs Computing kpt #: 206 total cpu time spent up to now is 78.5 secs Computing kpt #: 207 total cpu time spent up to now is 78.8 secs Computing kpt #: 208 total cpu time spent up to now is 79.2 secs Computing kpt #: 209 total cpu time spent up to now is 79.6 secs Computing kpt #: 210 total cpu time spent up to now is 80.0 secs Computing kpt #: 211 total cpu time spent up to now is 80.4 secs Computing kpt #: 212 total cpu time spent up to now is 81.4 secs Computing kpt #: 213 total cpu time spent up to now is 81.8 secs Computing kpt #: 214 total cpu time spent up to now is 82.3 secs Computing kpt #: 215 total cpu time spent up to now is 82.7 secs Computing kpt #: 216 total cpu time spent up to now is 83.1 secs Computing kpt #: 217 total cpu time spent up to now is 83.5 secs Computing kpt #: 218 total cpu time spent up to now is 83.9 secs Computing kpt #: 219 total cpu time spent up to now is 84.3 secs Computing kpt #: 220 total cpu time spent up to now is 84.7 secs Computing kpt #: 221 total cpu time spent up to now is 85.0 secs Computing kpt #: 222 total cpu time spent up to now is 85.4 secs Computing kpt #: 223 total cpu time spent up to now is 85.7 secs Computing kpt #: 224 total cpu time spent up to now is 86.1 secs Computing kpt #: 225 total cpu time spent up to now is 86.5 secs Computing kpt #: 226 total cpu time spent up to now is 86.8 secs Computing kpt #: 227 total cpu time spent up to now is 87.2 secs Computing kpt #: 228 total cpu time spent up to now is 87.5 secs Computing kpt #: 229 total cpu time spent up to now is 87.9 secs Computing kpt #: 230 total cpu time spent up to now is 88.2 secs Computing kpt #: 231 total cpu time spent up to now is 88.6 secs Computing kpt #: 232 total cpu time spent up to now is 88.9 secs Computing kpt #: 233 total cpu time spent up to now is 89.3 secs Computing kpt #: 234 total cpu time spent up to now is 89.7 secs Computing kpt #: 235 total cpu time spent up to now is 90.0 secs Computing kpt #: 236 total cpu time spent up to now is 90.4 secs Computing kpt #: 237 total cpu time spent up to now is 90.8 secs Computing kpt #: 238 total cpu time spent up to now is 91.2 secs Computing kpt #: 239 total cpu time spent up to now is 91.6 secs Computing kpt #: 240 total cpu time spent up to now is 92.0 secs Computing kpt #: 241 total cpu time spent up to now is 92.5 secs Computing kpt #: 242 total cpu time spent up to now is 92.8 secs Computing kpt #: 243 total cpu time spent up to now is 93.2 secs Computing kpt #: 244 total cpu time spent up to now is 93.5 secs Computing kpt #: 245 total cpu time spent up to now is 93.8 secs Computing kpt #: 246 total cpu time spent up to now is 94.2 secs Computing kpt #: 247 total cpu time spent up to now is 94.5 secs Computing kpt #: 248 total cpu time spent up to now is 94.9 secs Computing kpt #: 249 total cpu time spent up to now is 95.3 secs Computing kpt #: 250 total cpu time spent up to now is 95.6 secs Computing kpt #: 251 total cpu time spent up to now is 96.0 secs Computing kpt #: 252 total cpu time spent up to now is 96.4 secs Computing kpt #: 253 total cpu time spent up to now is 96.7 secs Computing kpt #: 254 total cpu time spent up to now is 97.2 secs Computing kpt #: 255 total cpu time spent up to now is 97.6 secs Computing kpt #: 256 total cpu time spent up to now is 98.1 secs Computing kpt #: 257 total cpu time spent up to now is 98.5 secs Computing kpt #: 258 total cpu time spent up to now is 98.9 secs Computing kpt #: 259 total cpu time spent up to now is 99.4 secs Computing kpt #: 260 total cpu time spent up to now is 99.8 secs Computing kpt #: 261 total cpu time spent up to now is 100.1 secs Computing kpt #: 262 total cpu time spent up to now is 100.5 secs Computing kpt #: 263 total cpu time spent up to now is 100.9 secs Computing kpt #: 264 total cpu time spent up to now is 101.2 secs Computing kpt #: 265 total cpu time spent up to now is 101.5 secs Computing kpt #: 266 total cpu time spent up to now is 101.9 secs Computing kpt #: 267 total cpu time spent up to now is 102.2 secs Computing kpt #: 268 total cpu time spent up to now is 102.5 secs Computing kpt #: 269 total cpu time spent up to now is 102.8 secs Computing kpt #: 270 total cpu time spent up to now is 103.2 secs Computing kpt #: 271 total cpu time spent up to now is 103.5 secs Computing kpt #: 272 total cpu time spent up to now is 103.8 secs Computing kpt #: 273 total cpu time spent up to now is 104.1 secs Computing kpt #: 274 total cpu time spent up to now is 104.4 secs Computing kpt #: 275 total cpu time spent up to now is 104.7 secs Computing kpt #: 276 total cpu time spent up to now is 105.0 secs Computing kpt #: 277 total cpu time spent up to now is 105.3 secs Computing kpt #: 278 total cpu time spent up to now is 105.6 secs ethr = 2.38E-08, avg # of iterations = 18.4 total cpu time spent up to now is 105.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -20.0357 -20.0357 -16.9688 -16.9688 -16.7014 -16.7014 -16.7014 -16.7014 -4.7108 -4.7108 -3.8518 -3.8518 -3.8518 -3.8518 -1.4746 -1.4746 -1.4746 -1.4746 -0.9006 -0.9006 -0.5807 -0.5807 -0.5807 -0.5807 0.5541 0.5541 0.6450 0.6450 0.6450 0.6450 2.1224 2.1224 2.1224 2.1224 2.1511 2.1511 2.2235 2.2235 2.3046 2.3046 2.3046 2.3046 7.1162 7.1162 12.0106 12.0106 12.0106 12.0106 13.0221 13.0221 k = 0.0000 0.0139-0.0000 ( 3407 PWs) bands (ev): -20.0357 -20.0357 -16.9686 -16.9686 -16.7014 -16.7014 -16.7014 -16.7014 -4.7108 -4.7108 -3.8519 -3.8519 -3.8517 -3.8517 -1.4756 -1.4756 -1.4747 -1.4747 -0.9009 -0.9009 -0.5866 -0.5866 -0.5807 -0.5807 0.5561 0.5561 0.6451 0.6451 0.6490 0.6490 2.1222 2.1222 2.1225 2.1225 2.1511 2.1511 2.2233 2.2233 2.3040 2.3040 2.3046 2.3046 7.1197 7.1197 12.0120 12.0120 12.0124 12.0124 13.0225 13.0225 k = 0.0000 0.0278-0.0000 ( 3407 PWs) bands (ev): -20.0356 -20.0356 -16.9683 -16.9683 -16.7015 -16.7015 -16.7014 -16.7014 -4.7108 -4.7108 -3.8519 -3.8519 -3.8515 -3.8515 -1.4785 -1.4785 -1.4749 -1.4749 -0.9017 -0.9017 -0.6039 -0.6039 -0.5808 -0.5808 0.5612 0.5612 0.6455 0.6455 0.6617 0.6617 2.1218 2.1218 2.1228 2.1228 2.1511 2.1511 2.2228 2.2228 2.3022 2.3022 2.3046 2.3046 7.1301 7.1301 12.0162 12.0162 12.0178 12.0178 13.0236 13.0236 k = 0.0000 0.0417-0.0000 ( 3415 PWs) bands (ev): -20.0353 -20.0353 -16.9677 -16.9677 -16.7017 -16.7017 -16.7013 -16.7013 -4.7107 -4.7107 -3.8521 -3.8521 -3.8510 -3.8510 -1.4835 -1.4835 -1.4753 -1.4753 -0.9030 -0.9030 -0.6314 -0.6314 -0.5809 -0.5809 0.5672 0.5672 0.6462 0.6462 0.6840 0.6840 2.1211 2.1211 2.1232 2.1232 2.1512 2.1512 2.2218 2.2218 2.2993 2.2993 2.3046 2.3046 7.1475 7.1475 12.0232 12.0232 12.0266 12.0266 13.0255 13.0255 k = 0.0000 0.0556-0.0000 ( 3419 PWs) bands (ev): -20.0350 -20.0350 -16.9669 -16.9669 -16.7019 -16.7019 -16.7013 -16.7013 -4.7105 -4.7105 -3.8523 -3.8523 -3.8504 -3.8504 -1.4906 -1.4906 -1.4758 -1.4758 -0.9048 -0.9048 -0.6673 -0.6673 -0.5811 -0.5811 0.5729 0.5729 0.6471 0.6471 0.7157 0.7157 2.1199 2.1199 2.1239 2.1239 2.1514 2.1514 2.2204 2.2204 2.2954 2.2954 2.3047 2.3047 7.1717 7.1717 12.0330 12.0330 12.0386 12.0386 13.0285 13.0285 k = 0.0000 0.0694-0.0000 ( 3419 PWs) bands (ev): -20.0347 -20.0347 -16.9658 -16.9658 -16.7021 -16.7021 -16.7012 -16.7012 -4.7104 -4.7104 -3.8525 -3.8525 -3.8496 -3.8496 -1.4999 -1.4999 -1.4765 -1.4765 -0.9071 -0.9071 -0.7099 -0.7099 -0.5813 -0.5813 0.5776 0.5776 0.6483 0.6483 0.7553 0.7553 2.1183 2.1183 2.1247 2.1247 2.1517 2.1517 2.2184 2.2184 2.2908 2.2908 2.3049 2.3049 7.2027 7.2027 12.0455 12.0455 12.0534 12.0534 13.0327 13.0327 k = 0.0000 0.0833-0.0000 ( 3423 PWs) bands (ev): -20.0342 -20.0342 -16.9646 -16.9646 -16.7025 -16.7025 -16.7012 -16.7012 -4.7102 -4.7102 -3.8528 -3.8528 -3.8487 -3.8487 -1.5116 -1.5116 -1.4772 -1.4772 -0.9098 -0.9098 -0.7571 -0.7571 -0.5816 -0.5816 0.5817 0.5817 0.6496 0.6496 0.8011 0.8011 2.1162 2.1162 2.1255 2.1255 2.1523 2.1523 2.2159 2.2159 2.2857 2.2857 2.3052 2.3052 7.2402 7.2402 12.0606 12.0606 12.0703 12.0703 13.0387 13.0387 k = 0.0000 0.0972-0.0000 ( 3427 PWs) bands (ev): -20.0337 -20.0337 -16.9631 -16.9631 -16.7028 -16.7028 -16.7011 -16.7011 -4.7099 -4.7099 -3.8532 -3.8532 -3.8476 -3.8476 -1.5259 -1.5259 -1.4782 -1.4782 -0.9129 -0.9129 -0.8073 -0.8073 -0.5819 -0.5819 0.5853 0.5853 0.6512 0.6512 0.8512 0.8512 2.1135 2.1135 2.1263 2.1263 2.1530 2.1530 2.2127 2.2127 2.2805 2.2805 2.3057 2.3057 7.2841 7.2841 12.0783 12.0783 12.0888 12.0888 13.0468 13.0468 k = 0.0000 0.1111-0.0000 ( 3427 PWs) bands (ev): -20.0330 -20.0330 -16.9615 -16.9615 -16.7033 -16.7033 -16.7010 -16.7010 -4.7097 -4.7097 -3.8536 -3.8536 -3.8463 -3.8463 -1.5429 -1.5429 -1.4792 -1.4792 -0.9164 -0.9164 -0.8588 -0.8588 -0.5822 -0.5822 0.5888 0.5888 0.6529 0.6529 0.9041 0.9041 2.1104 2.1104 2.1270 2.1270 2.1539 2.1539 2.2087 2.2087 2.2754 2.2754 2.3064 2.3064 7.3343 7.3343 12.0984 12.0984 12.1079 12.1079 13.0579 13.0579 k = 0.0000 0.1250-0.0000 ( 3435 PWs) bands (ev): -20.0324 -20.0324 -16.9597 -16.9597 -16.7037 -16.7037 -16.7010 -16.7010 -4.7094 -4.7094 -3.8540 -3.8540 -3.8450 -3.8450 -1.5631 -1.5631 -1.4804 -1.4804 -0.9203 -0.9203 -0.9105 -0.9105 -0.5825 -0.5825 0.5921 0.5921 0.6547 0.6547 0.9586 0.9586 2.1066 2.1066 2.1276 2.1276 2.1549 2.1549 2.2038 2.2038 2.2709 2.2709 2.3073 2.3073 7.3905 7.3905 12.1208 12.1208 12.1266 12.1266 13.0725 13.0725 k = 0.0000 0.1389-0.0000 ( 3427 PWs) bands (ev): -20.0316 -20.0316 -16.9577 -16.9577 -16.7042 -16.7042 -16.7009 -16.7009 -4.7091 -4.7091 -3.8545 -3.8545 -3.8434 -3.8434 -1.5864 -1.5864 -1.4816 -1.4816 -0.9609 -0.9609 -0.9244 -0.9244 -0.5828 -0.5828 0.5954 0.5954 0.6566 0.6566 1.0135 1.0135 2.1024 2.1024 2.1279 2.1279 2.1560 2.1560 2.1981 2.1981 2.2673 2.2673 2.3085 2.3085 7.4525 7.4525 12.1438 12.1438 12.1454 12.1454 13.0919 13.0919 k = 0.0000 0.1528-0.0000 ( 3427 PWs) bands (ev): -20.0308 -20.0308 -16.9555 -16.9555 -16.7047 -16.7047 -16.7008 -16.7008 -4.7087 -4.7087 -3.8550 -3.8550 -3.8418 -3.8418 -1.6134 -1.6134 -1.4830 -1.4830 -1.0091 -1.0091 -0.9288 -0.9288 -0.5832 -0.5832 0.5987 0.5987 0.6586 0.6586 1.0682 1.0682 2.0978 2.0978 2.1277 2.1277 2.1570 2.1570 2.1917 2.1917 2.2646 2.2646 2.3101 2.3101 7.5200 7.5200 12.1582 12.1582 12.1721 12.1721 13.1168 13.1168 k = 0.0000 0.1667-0.0000 ( 3427 PWs) bands (ev): -20.0300 -20.0300 -16.9533 -16.9533 -16.7052 -16.7052 -16.7007 -16.7007 -4.7084 -4.7084 -3.8555 -3.8555 -3.8401 -3.8401 -1.6440 -1.6440 -1.4845 -1.4845 -1.0545 -1.0545 -0.9334 -0.9334 -0.5836 -0.5836 0.6020 0.6020 0.6606 0.6606 1.1218 1.1218 2.0929 2.0929 2.1270 2.1270 2.1580 2.1580 2.1849 2.1849 2.2631 2.2631 2.3121 2.3121 7.5927 7.5927 12.1684 12.1684 12.2006 12.2006 13.1483 13.1483 k = 0.0000 0.1806-0.0000 ( 3435 PWs) bands (ev): -20.0291 -20.0291 -16.9510 -16.9510 -16.7058 -16.7058 -16.7006 -16.7006 -4.7080 -4.7080 -3.8560 -3.8560 -3.8383 -3.8383 -1.6782 -1.6782 -1.4861 -1.4861 -1.0963 -1.0963 -0.9383 -0.9383 -0.5840 -0.5840 0.6052 0.6052 0.6626 0.6626 1.1738 1.1738 2.0876 2.0876 2.1256 2.1256 2.1587 2.1587 2.1782 2.1782 2.2627 2.2627 2.3146 2.3146 7.6704 7.6704 12.1735 12.1735 12.2308 12.2308 13.1875 13.1875 k = 0.0000 0.1944-0.0000 ( 3447 PWs) bands (ev): -20.0281 -20.0281 -16.9485 -16.9485 -16.7063 -16.7063 -16.7005 -16.7005 -4.7077 -4.7077 -3.8566 -3.8566 -3.8364 -3.8364 -1.7157 -1.7157 -1.4879 -1.4879 -1.1344 -1.1344 -0.9433 -0.9433 -0.5844 -0.5844 0.6085 0.6085 0.6646 0.6646 1.2237 1.2237 2.0820 2.0820 2.1233 2.1233 2.1593 2.1593 2.1718 2.1718 2.2632 2.2632 2.3175 2.3175 7.7528 7.7528 12.1723 12.1723 12.2625 12.2625 13.2349 13.2349 k = 0.0000 0.2083-0.0000 ( 3447 PWs) bands (ev): -20.0272 -20.0272 -16.9460 -16.9460 -16.7069 -16.7069 -16.7003 -16.7003 -4.7073 -4.7073 -3.8571 -3.8571 -3.8344 -3.8344 -1.7562 -1.7562 -1.4896 -1.4896 -1.1685 -1.1685 -0.9483 -0.9483 -0.5847 -0.5847 0.6116 0.6116 0.6665 0.6665 1.2710 1.2710 2.0762 2.0762 2.1204 2.1204 2.1596 2.1596 2.1663 2.1663 2.2647 2.2647 2.3208 2.3208 7.8395 7.8395 12.1644 12.1644 12.2954 12.2954 13.2909 13.2909 k = 0.0000 0.2222-0.0000 ( 3435 PWs) bands (ev): -20.0262 -20.0262 -16.9435 -16.9435 -16.7074 -16.7074 -16.7002 -16.7002 -4.7069 -4.7069 -3.8577 -3.8577 -3.8324 -3.8324 -1.7990 -1.7990 -1.4914 -1.4914 -1.1989 -1.1989 -0.9533 -0.9533 -0.5850 -0.5850 0.6148 0.6148 0.6684 0.6684 1.3154 1.3154 2.0703 2.0703 2.1170 2.1170 2.1597 2.1597 2.1617 2.1617 2.2670 2.2670 2.3246 2.3246 7.9302 7.9302 12.1493 12.1493 12.3295 12.3295 13.3558 13.3558 k = 0.0000 0.2361-0.0000 ( 3435 PWs) bands (ev): -20.0252 -20.0252 -16.9409 -16.9409 -16.7079 -16.7079 -16.7001 -16.7001 -4.7065 -4.7065 -3.8582 -3.8582 -3.8303 -3.8303 -1.8437 -1.8437 -1.4932 -1.4932 -1.2259 -1.2259 -0.9583 -0.9583 -0.5854 -0.5854 0.6178 0.6178 0.6702 0.6702 1.3564 1.3564 2.0643 2.0643 2.1134 2.1134 2.1580 2.1580 2.1595 2.1595 2.2700 2.2700 2.3288 2.3288 8.0245 8.0245 12.1271 12.1271 12.3644 12.3644 13.4294 13.4294 k = 0.0000 0.2500-0.0000 ( 3431 PWs) bands (ev): -20.0241 -20.0241 -16.9383 -16.9383 -16.7084 -16.7084 -16.6999 -16.6999 -4.7061 -4.7061 -3.8588 -3.8588 -3.8283 -3.8283 -1.8894 -1.8894 -1.4951 -1.4951 -1.2499 -1.2499 -0.9633 -0.9633 -0.5857 -0.5857 0.6207 0.6207 0.6718 0.6718 1.3939 1.3939 2.0582 2.0582 2.1101 2.1101 2.1550 2.1550 2.1590 2.1590 2.2737 2.2737 2.3334 2.3334 8.1221 8.1221 12.0978 12.0978 12.3999 12.3999 13.5114 13.5114 k = 0.0000 0.2639-0.0000 ( 3455 PWs) bands (ev): -20.0231 -20.0231 -16.9358 -16.9358 -16.7089 -16.7089 -16.6998 -16.6998 -4.7058 -4.7058 -3.8593 -3.8593 -3.8262 -3.8262 -1.9357 -1.9357 -1.4973 -1.4973 -1.2713 -1.2713 -0.9685 -0.9685 -0.5862 -0.5862 0.6235 0.6235 0.6733 0.6733 1.4274 1.4274 2.0521 2.0521 2.1075 2.1075 2.1526 2.1526 2.1583 2.1583 2.2780 2.2780 2.3383 2.3383 8.2225 8.2225 12.0618 12.0618 12.4357 12.4357 13.6013 13.6013 k = 0.0000 0.2778-0.0000 ( 3455 PWs) bands (ev): -20.0221 -20.0221 -16.9333 -16.9333 -16.7093 -16.7093 -16.6997 -16.6997 -4.7054 -4.7054 -3.8599 -3.8599 -3.8242 -3.8242 -1.9817 -1.9817 -1.4992 -1.4992 -1.2902 -1.2902 -0.9733 -0.9733 -0.5864 -0.5864 0.6262 0.6262 0.6747 0.6747 1.4570 1.4570 2.0461 2.0461 2.1059 2.1059 2.1509 2.1509 2.1573 2.1573 2.2827 2.2827 2.3434 2.3434 8.3254 8.3254 12.0196 12.0196 12.4716 12.4716 13.6986 13.6986 k = 0.0000 0.2917-0.0000 ( 3455 PWs) bands (ev): -20.0211 -20.0211 -16.9309 -16.9309 -16.7097 -16.7097 -16.6996 -16.6996 -4.7051 -4.7051 -3.8604 -3.8604 -3.8221 -3.8221 -2.0270 -2.0270 -1.5011 -1.5011 -1.3071 -1.3071 -0.9780 -0.9780 -0.5867 -0.5867 0.6287 0.6287 0.6760 0.6760 1.4826 1.4826 2.0401 2.0401 2.1053 2.1053 2.1496 2.1496 2.1562 2.1562 2.2877 2.2877 2.3488 2.3488 8.4304 8.4304 11.9715 11.9715 12.5073 12.5073 13.8028 13.8028 k = 0.0000 0.3056-0.0000 ( 3451 PWs) bands (ev): -20.0201 -20.0201 -16.9285 -16.9285 -16.7101 -16.7101 -16.6995 -16.6995 -4.7047 -4.7047 -3.8609 -3.8609 -3.8202 -3.8202 -2.0710 -2.0710 -1.5030 -1.5030 -1.3221 -1.3221 -0.9824 -0.9824 -0.5869 -0.5869 0.6310 0.6310 0.6772 0.6772 1.5042 1.5042 2.0344 2.0344 2.1058 2.1058 2.1491 2.1491 2.1550 2.1550 2.2931 2.2931 2.3542 2.3542 8.5369 8.5369 11.9182 11.9182 12.5425 12.5425 13.9133 13.9133 k = 0.0000 0.3194-0.0000 ( 3451 PWs) bands (ev): -20.0192 -20.0192 -16.9263 -16.9263 -16.7105 -16.7105 -16.6993 -16.6993 -4.7044 -4.7044 -3.8613 -3.8613 -3.8182 -3.8182 -2.1134 -2.1134 -1.5049 -1.5049 -1.3356 -1.3356 -0.9867 -0.9867 -0.5872 -0.5872 0.6332 0.6332 0.6782 0.6782 1.5220 1.5220 2.0287 2.0287 2.1070 2.1070 2.1494 2.1494 2.1536 2.1536 2.2987 2.2987 2.3596 2.3596 8.6445 8.6445 11.8601 11.8601 12.5769 12.5769 14.0292 14.0292 k = 0.0000 0.3333-0.0000 ( 3451 PWs) bands (ev): -20.0183 -20.0183 -16.9241 -16.9241 -16.7108 -16.7108 -16.6992 -16.6992 -4.7041 -4.7041 -3.8618 -3.8618 -3.8164 -3.8164 -2.1538 -2.1538 -1.5067 -1.5067 -1.3477 -1.3477 -0.9908 -0.9908 -0.5874 -0.5874 0.6352 0.6352 0.6790 0.6790 1.5364 1.5364 2.0234 2.0234 2.1085 2.1085 2.1508 2.1508 2.1522 2.1522 2.3043 2.3043 2.3650 2.3650 8.7526 8.7526 11.7979 11.7979 12.6103 12.6103 14.1396 14.1396 k = 0.0000 0.3472-0.0000 ( 3447 PWs) bands (ev): -20.0174 -20.0174 -16.9221 -16.9221 -16.7110 -16.7110 -16.6991 -16.6991 -4.7038 -4.7038 -3.8622 -3.8622 -3.8146 -3.8146 -2.1919 -2.1919 -1.5084 -1.5084 -1.3585 -1.3585 -0.9945 -0.9945 -0.5876 -0.5876 0.6370 0.6370 0.6798 0.6798 1.5476 1.5476 2.0183 2.0183 2.1100 2.1100 2.1508 2.1508 2.1534 2.1534 2.3100 2.3100 2.3703 2.3703 8.8605 8.8605 11.7322 11.7322 12.6423 12.6423 14.1384 14.1384 k = 0.0000 0.3611-0.0000 ( 3446 PWs) bands (ev): -20.0166 -20.0166 -16.9202 -16.9202 -16.7112 -16.7112 -16.6990 -16.6990 -4.7035 -4.7035 -3.8626 -3.8626 -3.8130 -3.8130 -2.2274 -2.2274 -1.5101 -1.5101 -1.3682 -1.3682 -0.9981 -0.9981 -0.5876 -0.5876 0.6387 0.6387 0.6804 0.6804 1.5561 1.5561 2.0134 2.0134 2.1112 2.1112 2.1494 2.1494 2.1573 2.1573 2.3157 2.3157 2.3753 2.3753 8.9676 8.9676 11.6637 11.6637 12.6727 12.6727 14.1243 14.1243 k = 0.0000 0.3750-0.0000 ( 3454 PWs) bands (ev): -20.0159 -20.0159 -16.9185 -16.9185 -16.7114 -16.7114 -16.6990 -16.6990 -4.7033 -4.7033 -3.8629 -3.8629 -3.8115 -3.8115 -2.2602 -2.2602 -1.5116 -1.5116 -1.3768 -1.3768 -1.0013 -1.0013 -0.5877 -0.5877 0.6402 0.6402 0.6810 0.6810 1.5623 1.5623 2.0090 2.0090 2.1118 2.1118 2.1480 2.1480 2.1620 2.1620 2.3212 2.3212 2.3801 2.3801 9.0730 9.0730 11.5933 11.5933 12.7012 12.7012 14.1110 14.1110 k = 0.0000 0.3889-0.0000 ( 3454 PWs) bands (ev): -20.0152 -20.0152 -16.9169 -16.9169 -16.7116 -16.7116 -16.6989 -16.6989 -4.7030 -4.7030 -3.8632 -3.8632 -3.8101 -3.8101 -2.2899 -2.2899 -1.5131 -1.5131 -1.3843 -1.3843 -1.0043 -1.0043 -0.5879 -0.5879 0.6415 0.6415 0.6814 0.6814 1.5667 1.5667 2.0049 2.0049 2.1120 2.1120 2.1467 2.1467 2.1675 2.1675 2.3265 2.3265 2.3846 2.3846 9.1758 9.1758 11.5219 11.5219 12.7275 12.7275 14.0989 14.0989 k = 0.0000 0.4028-0.0000 ( 3462 PWs) bands (ev): -20.0146 -20.0146 -16.9155 -16.9155 -16.7117 -16.7117 -16.6988 -16.6988 -4.7029 -4.7029 -3.8635 -3.8635 -3.8088 -3.8088 -2.3165 -2.3165 -1.5144 -1.5144 -1.3909 -1.3909 -1.0069 -1.0069 -0.5881 -0.5881 0.6426 0.6426 0.6818 0.6818 1.5696 1.5696 2.0012 2.0012 2.1119 2.1119 2.1455 2.1455 2.1732 2.1732 2.3314 2.3314 2.3887 2.3887 9.2746 9.2746 11.4508 11.4508 12.7514 12.7514 14.0881 14.0881 k = 0.0000 0.4167-0.0000 ( 3462 PWs) bands (ev): -20.0140 -20.0140 -16.9143 -16.9143 -16.7118 -16.7118 -16.6987 -16.6987 -4.7027 -4.7027 -3.8638 -3.8638 -3.8077 -3.8077 -2.3398 -2.3398 -1.5156 -1.5156 -1.3965 -1.3965 -1.0092 -1.0092 -0.5882 -0.5882 0.6436 0.6436 0.6821 0.6821 1.5714 1.5714 1.9980 1.9980 2.1116 2.1116 2.1444 2.1444 2.1788 2.1788 2.3359 2.3359 2.3923 2.3923 9.3680 9.3680 11.3814 11.3814 12.7727 12.7727 14.0787 14.0787 k = 0.0000 0.4306-0.0000 ( 3454 PWs) bands (ev): -20.0135 -20.0135 -16.9132 -16.9132 -16.7119 -16.7119 -16.6987 -16.6987 -4.7025 -4.7025 -3.8640 -3.8640 -3.8067 -3.8067 -2.3597 -2.3597 -1.5165 -1.5165 -1.4012 -1.4012 -1.0111 -1.0111 -0.5882 -0.5882 0.6444 0.6444 0.6823 0.6823 1.5725 1.5725 1.9952 1.9952 2.1112 2.1112 2.1435 2.1435 2.1840 2.1840 2.3400 2.3400 2.3955 2.3955 9.4542 9.4542 11.3156 11.3156 12.7910 12.7910 14.0707 14.0707 k = 0.0000 0.4444-0.0000 ( 3450 PWs) bands (ev): -20.0131 -20.0131 -16.9123 -16.9123 -16.7119 -16.7119 -16.6986 -16.6986 -4.7024 -4.7024 -3.8641 -3.8641 -3.8059 -3.8059 -2.3761 -2.3761 -1.5173 -1.5173 -1.4050 -1.4050 -1.0126 -1.0126 -0.5883 -0.5883 0.6450 0.6450 0.6825 0.6825 1.5730 1.5730 1.9929 1.9929 2.1108 2.1108 2.1427 2.1427 2.1884 2.1884 2.3434 2.3434 2.3982 2.3982 9.5308 9.5308 11.2557 11.2557 12.8063 12.8063 14.0642 14.0642 k = 0.0000 0.4583-0.0000 ( 3446 PWs) bands (ev): -20.0128 -20.0128 -16.9117 -16.9117 -16.7120 -16.7120 -16.6986 -16.6986 -4.7023 -4.7023 -3.8643 -3.8643 -3.8053 -3.8053 -2.3889 -2.3889 -1.5179 -1.5179 -1.4080 -1.4080 -1.0139 -1.0139 -0.5884 -0.5884 0.6455 0.6455 0.6826 0.6826 1.5732 1.5732 1.9911 1.9911 2.1105 2.1105 2.1421 2.1421 2.1921 2.1921 2.3462 2.3462 2.4002 2.4002 9.5952 9.5952 11.2043 11.2043 12.8184 12.8184 14.0590 14.0591 k = 0.0000 0.4722-0.0000 ( 3442 PWs) bands (ev): -20.0126 -20.0126 -16.9112 -16.9112 -16.7120 -16.7120 -16.6986 -16.6986 -4.7022 -4.7022 -3.8644 -3.8644 -3.8048 -3.8048 -2.3981 -2.3981 -1.5184 -1.5184 -1.4101 -1.4101 -1.0147 -1.0147 -0.5884 -0.5884 0.6459 0.6459 0.6827 0.6827 1.5732 1.5732 1.9898 1.9898 2.1102 2.1102 2.1416 2.1416 2.1948 2.1948 2.3482 2.3482 2.4018 2.4018 9.6443 9.6443 11.1645 11.1645 12.8271 12.8271 14.0554 14.0554 k = 0.0000 0.4861-0.0000 ( 3450 PWs) bands (ev): -20.0125 -20.0125 -16.9109 -16.9109 -16.7120 -16.7120 -16.6986 -16.6986 -4.7022 -4.7022 -3.8644 -3.8644 -3.8046 -3.8046 -2.4037 -2.4037 -1.5187 -1.5187 -1.4114 -1.4114 -1.0153 -1.0153 -0.5884 -0.5884 0.6461 0.6461 0.6827 0.6827 1.5732 1.5732 1.9890 1.9890 2.1100 2.1100 2.1413 2.1413 2.1964 2.1964 2.3494 2.3494 2.4027 2.4027 9.6753 9.6753 11.1391 11.1391 12.8324 12.8324 14.0532 14.0532 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): -20.0124 -20.0124 -16.9108 -16.9108 -16.7120 -16.7120 -16.6986 -16.6986 -4.7022 -4.7022 -3.8644 -3.8644 -3.8045 -3.8045 -2.4055 -2.4055 -1.5188 -1.5188 -1.4118 -1.4118 -1.0155 -1.0155 -0.5884 -0.5884 0.6462 0.6462 0.6827 0.6827 1.5732 1.5732 1.9888 1.9888 2.1099 2.1099 2.1412 2.1412 2.1969 2.1969 2.3498 2.3498 2.4030 2.4030 9.6859 9.6859 11.1304 11.1304 12.8341 12.8341 14.0524 14.0524 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): -20.0124 -20.0124 -16.9108 -16.9108 -16.7120 -16.7120 -16.6986 -16.6986 -4.7022 -4.7022 -3.8644 -3.8644 -3.8045 -3.8045 -2.4055 -2.4055 -1.5188 -1.5188 -1.4118 -1.4118 -1.0155 -1.0155 -0.5884 -0.5884 0.6462 0.6462 0.6827 0.6827 1.5732 1.5732 1.9888 1.9888 2.1099 2.1099 2.1412 2.1412 2.1969 2.1969 2.3498 2.3498 2.4030 2.4030 9.6859 9.6859 11.1304 11.1304 12.8341 12.8341 14.0524 14.0524 k = 0.0139 0.5000-0.0000 ( 3450 PWs) bands (ev): -20.0124 -20.0124 -16.9106 -16.9106 -16.7120 -16.7120 -16.6986 -16.6986 -4.7023 -4.7023 -3.8646 -3.8646 -3.8046 -3.8046 -2.4056 -2.4056 -1.5196 -1.5196 -1.4122 -1.4122 -1.0160 -1.0160 -0.5929 -0.5929 0.6472 0.6472 0.6839 0.6839 1.5739 1.5739 1.9891 1.9891 2.1054 2.1054 2.1357 2.1357 2.2102 2.2102 2.3508 2.3508 2.4029 2.4029 9.6873 9.6873 11.1324 11.1324 12.8359 12.8359 14.0518 14.0518 k = 0.0278 0.5000-0.0000 ( 3432 PWs) bands (ev): -20.0123 -20.0123 -16.9101 -16.9101 -16.7121 -16.7121 -16.6986 -16.6986 -4.7025 -4.7025 -3.8649 -3.8649 -3.8048 -3.8048 -2.4060 -2.4060 -1.5218 -1.5218 -1.4131 -1.4131 -1.0175 -1.0175 -0.6060 -0.6060 0.6502 0.6502 0.6877 0.6877 1.5760 1.5760 1.9900 1.9900 2.0917 2.0917 2.1305 2.1305 2.2378 2.2378 2.3542 2.3542 2.4026 2.4026 9.6915 9.6915 11.1386 11.1386 12.8410 12.8410 14.0497 14.0497 k = 0.0417 0.5000-0.0000 ( 3436 PWs) bands (ev): -20.0121 -20.0121 -16.9092 -16.9092 -16.7122 -16.7122 -16.6987 -16.6987 -4.7030 -4.7030 -3.8654 -3.8654 -3.8052 -3.8052 -2.4067 -2.4067 -1.5257 -1.5257 -1.4147 -1.4147 -1.0201 -1.0201 -0.6274 -0.6274 0.6546 0.6546 0.6940 0.6940 1.5794 1.5794 1.9915 1.9915 2.0740 2.0740 2.1294 2.1294 2.2686 2.2686 2.3622 2.3622 2.4022 2.4022 9.6985 9.6985 11.1489 11.1489 12.8496 12.8496 14.0453 14.0453 k = 0.0556 0.5000-0.0000 ( 3440 PWs) bands (ev): -20.0119 -20.0119 -16.9080 -16.9080 -16.7124 -16.7124 -16.6988 -16.6988 -4.7036 -4.7036 -3.8662 -3.8662 -3.8058 -3.8058 -2.4076 -2.4076 -1.5312 -1.5312 -1.4169 -1.4169 -1.0238 -1.0238 -0.6561 -0.6561 0.6599 0.6599 0.7029 0.7029 1.5842 1.5842 1.9935 1.9935 2.0566 2.0566 2.1301 2.1301 2.2947 2.2947 2.3800 2.3800 2.4019 2.4019 9.7083 9.7083 11.1633 11.1633 12.8616 12.8616 14.0375 14.0375 k = 0.0694 0.5000-0.0000 ( 3440 PWs) bands (ev): -20.0117 -20.0117 -16.9064 -16.9064 -16.7126 -16.7126 -16.6990 -16.6990 -4.7043 -4.7043 -3.8673 -3.8673 -3.8064 -3.8064 -2.4088 -2.4088 -1.5383 -1.5383 -1.4197 -1.4197 -1.0284 -1.0284 -0.6910 -0.6910 0.6658 0.6658 0.7140 0.7140 1.5903 1.5903 1.9960 1.9960 2.0410 2.0410 2.1318 2.1318 2.3106 2.3106 2.3994 2.3994 2.4147 2.4147 9.7209 9.7209 11.1817 11.1817 12.8769 12.8769 14.0256 14.0256 k = 0.0833 0.5000-0.0000 ( 3432 PWs) bands (ev): -20.0114 -20.0114 -16.9045 -16.9045 -16.7128 -16.7128 -16.6992 -16.6992 -4.7052 -4.7052 -3.8686 -3.8686 -3.8072 -3.8072 -2.4103 -2.4103 -1.5471 -1.5471 -1.4231 -1.4231 -1.0341 -1.0341 -0.7308 -0.7308 0.6720 0.6720 0.7268 0.7268 1.5976 1.5976 1.9990 1.9990 2.0275 2.0275 2.1341 2.1341 2.3182 2.3182 2.3994 2.3994 2.4592 2.4592 9.7363 9.7363 11.2040 11.2040 12.8955 12.8955 14.0096 14.0096 k = 0.0972 0.5000-0.0000 ( 3434 PWs) bands (ev): -20.0110 -20.0110 -16.9023 -16.9023 -16.7131 -16.7131 -16.6995 -16.6995 -4.7063 -4.7063 -3.8703 -3.8703 -3.8079 -3.8079 -2.4121 -2.4121 -1.5577 -1.5577 -1.4271 -1.4271 -1.0409 -1.0409 -0.7744 -0.7744 0.6786 0.6786 0.7406 0.7406 1.6061 1.6061 2.0023 2.0023 2.0161 2.0161 2.1369 2.1369 2.3219 2.3219 2.3987 2.3987 2.5119 2.5119 9.7545 9.7545 11.2303 11.2303 12.9173 12.9173 13.9897 13.9897 k = 0.1111 0.5000-0.0000 ( 3438 PWs) bands (ev): -20.0106 -20.0106 -16.8998 -16.8998 -16.7135 -16.7135 -16.6998 -16.6998 -4.7076 -4.7076 -3.8722 -3.8722 -3.8087 -3.8087 -2.4143 -2.4143 -1.5701 -1.5701 -1.4316 -1.4316 -1.0488 -1.0488 -0.8205 -0.8205 0.6856 0.6856 0.7549 0.7549 1.6156 1.6156 2.0054 2.0054 2.0071 2.0071 2.1402 2.1402 2.3236 2.3236 2.3981 2.3981 2.5698 2.5698 9.7754 9.7754 11.2604 11.2604 12.9422 12.9422 13.9663 13.9663 k = 0.1250 0.5000-0.0000 ( 3442 PWs) bands (ev): -20.0102 -20.0102 -16.8970 -16.8970 -16.7138 -16.7138 -16.7001 -16.7001 -4.7089 -4.7089 -3.8744 -3.8744 -3.8094 -3.8094 -2.4167 -2.4167 -1.5844 -1.5844 -1.4367 -1.4367 -1.0580 -1.0580 -0.8675 -0.8675 0.6930 0.6930 0.7692 0.7692 1.6260 1.6260 1.9987 1.9987 2.0098 2.0098 2.1438 2.1438 2.3243 2.3243 2.3976 2.3976 2.6313 2.6313 9.7990 9.7990 11.2943 11.2943 12.9701 12.9701 13.9400 13.9400 k = 0.1389 0.5000-0.0000 ( 3434 PWs) bands (ev): -20.0097 -20.0097 -16.8939 -16.8939 -16.7142 -16.7142 -16.7005 -16.7005 -4.7104 -4.7104 -3.8770 -3.8770 -3.8100 -3.8100 -2.4195 -2.4195 -1.6007 -1.6007 -1.4423 -1.4423 -1.0690 -1.0690 -0.9140 -0.9140 0.7009 0.7009 0.7831 0.7831 1.6374 1.6374 1.9926 1.9926 2.0136 2.0136 2.1479 2.1479 2.3245 2.3245 2.3976 2.3976 2.6957 2.6957 9.8253 9.8253 11.3318 11.3318 13.0008 13.0008 13.9110 13.9110 k = 0.1528 0.5000-0.0000 ( 3430 PWs) bands (ev): -20.0091 -20.0091 -16.8905 -16.8905 -16.7147 -16.7147 -16.7009 -16.7009 -4.7121 -4.7121 -3.8799 -3.8799 -3.8105 -3.8105 -2.4227 -2.4227 -1.6191 -1.6191 -1.4485 -1.4485 -1.0825 -1.0825 -0.9580 -0.9580 0.7091 0.7091 0.7965 0.7965 1.6495 1.6495 1.9878 1.9878 2.0175 2.0175 2.1524 2.1524 2.3241 2.3241 2.3980 2.3980 2.7621 2.7621 9.8542 9.8542 11.3729 11.3729 13.0341 13.0341 13.8798 13.8798 k = 0.1667 0.5000-0.0000 ( 3418 PWs) bands (ev): -20.0086 -20.0086 -16.8869 -16.8869 -16.7151 -16.7151 -16.7014 -16.7014 -4.7138 -4.7138 -3.8832 -3.8832 -3.8109 -3.8109 -2.4263 -2.4263 -1.6395 -1.6395 -1.4552 -1.4552 -1.1001 -1.1001 -0.9970 -0.9970 0.7177 0.7177 0.8091 0.8091 1.6622 1.6622 1.9843 1.9843 2.0213 2.0213 2.1571 2.1571 2.3232 2.3232 2.3990 2.3990 2.8301 2.8301 9.8856 9.8856 11.4174 11.4174 13.0699 13.0699 13.8466 13.8466 k = 0.1806 0.5000-0.0000 ( 3426 PWs) bands (ev): -20.0080 -20.0080 -16.8831 -16.8831 -16.7156 -16.7156 -16.7019 -16.7019 -4.7157 -4.7157 -3.8867 -3.8867 -3.8111 -3.8111 -2.4304 -2.4304 -1.6623 -1.6623 -1.4626 -1.4626 -1.1236 -1.1236 -1.0286 -1.0286 0.7265 0.7265 0.8208 0.8208 1.6754 1.6754 1.9819 1.9819 2.0248 2.0248 2.1621 2.1621 2.3219 2.3219 2.4007 2.4007 2.8990 2.8990 9.9196 9.9196 11.4652 11.4652 13.1078 13.1078 13.8117 13.8117 k = 0.1944 0.5000-0.0000 ( 3418 PWs) bands (ev): -20.0073 -20.0073 -16.8791 -16.8791 -16.7161 -16.7161 -16.7025 -16.7025 -4.7176 -4.7176 -3.8904 -3.8904 -3.8112 -3.8112 -2.4349 -2.4349 -1.6872 -1.6872 -1.4706 -1.4706 -1.1526 -1.1526 -1.0520 -1.0520 0.7355 0.7355 0.8317 0.8317 1.6891 1.6891 1.9805 1.9805 2.0281 2.0281 2.1674 2.1674 2.3202 2.3202 2.4033 2.4033 2.9684 2.9684 9.9560 9.9560 11.5162 11.5162 13.1474 13.1474 13.7754 13.7754 k = 0.2083 0.5000-0.0000 ( 3420 PWs) bands (ev): -20.0067 -20.0067 -16.8749 -16.8749 -16.7167 -16.7167 -16.7032 -16.7032 -4.7197 -4.7197 -3.8944 -3.8944 -3.8111 -3.8111 -2.4399 -2.4399 -1.7142 -1.7142 -1.4792 -1.4792 -1.1845 -1.1845 -1.0695 -1.0695 0.7447 0.7447 0.8416 0.8416 1.7031 1.7031 1.9798 1.9798 2.0310 2.0310 2.1728 2.1728 2.3181 2.3181 2.4067 2.4067 3.0377 3.0377 9.9946 9.9946 11.5702 11.5702 13.1885 13.1885 13.7380 13.7380 k = 0.2222 0.5000-0.0000 ( 3424 PWs) bands (ev): -20.0061 -20.0061 -16.8705 -16.8705 -16.7172 -16.7172 -16.7039 -16.7039 -4.7218 -4.7218 -3.8986 -3.8986 -3.8109 -3.8109 -2.4456 -2.4456 -1.7430 -1.7430 -1.4885 -1.4885 -1.2164 -1.2164 -1.0834 -1.0834 0.7539 0.7539 0.8507 0.8507 1.7173 1.7173 1.9799 1.9799 2.0334 2.0334 2.1784 2.1784 2.3156 2.3156 2.4110 2.4110 3.1064 3.1064 10.0353 10.0353 11.6271 11.6271 13.2304 13.2304 13.6997 13.6997 k = 0.2361 0.5000-0.0000 ( 3424 PWs) bands (ev): -20.0054 -20.0054 -16.8661 -16.8661 -16.7178 -16.7178 -16.7047 -16.7047 -4.7239 -4.7239 -3.9030 -3.9030 -3.8106 -3.8106 -2.4518 -2.4518 -1.7734 -1.7734 -1.4983 -1.4983 -1.2464 -1.2464 -1.0953 -1.0953 0.7631 0.7631 0.8590 0.8590 1.7315 1.7315 1.9805 1.9805 2.0354 2.0354 2.1840 2.1840 2.3128 2.3128 2.4162 2.4162 3.1742 3.1742 10.0781 10.0781 11.6868 11.6868 13.2726 13.2726 13.6607 13.6607 k = 0.2500 0.5000-0.0000 ( 3422 PWs) bands (ev): -20.0047 -20.0047 -16.8615 -16.8615 -16.7183 -16.7183 -16.7056 -16.7056 -4.7261 -4.7261 -3.9074 -3.9074 -3.8101 -3.8101 -2.4587 -2.4587 -1.8049 -1.8049 -1.5086 -1.5086 -1.2737 -1.2737 -1.1060 -1.1060 0.7723 0.7723 0.8665 0.8665 1.7458 1.7458 1.9816 1.9816 2.0369 2.0369 2.1898 2.1898 2.3097 2.3097 2.4222 2.4222 3.2406 3.2406 10.1226 10.1226 11.7490 11.7490 13.3143 13.3143 13.6214 13.6214 k = 0.2639 0.5000-0.0000 ( 3422 PWs) bands (ev): -20.0040 -20.0040 -16.8569 -16.8569 -16.7189 -16.7189 -16.7065 -16.7065 -4.7283 -4.7283 -3.9119 -3.9119 -3.8096 -3.8096 -2.4662 -2.4662 -1.8370 -1.8370 -1.5194 -1.5194 -1.2981 -1.2981 -1.1158 -1.1158 0.7813 0.7813 0.8733 0.8733 1.7600 1.7600 1.9832 1.9832 2.0378 2.0378 2.1955 2.1955 2.3064 2.3064 2.4290 2.4290 3.3052 3.3052 10.1686 10.1686 11.8136 11.8136 13.3549 13.3549 13.5819 13.5819 k = 0.2778 0.5000-0.0000 ( 3432 PWs) bands (ev): -20.0034 -20.0034 -16.8522 -16.8522 -16.7195 -16.7195 -16.7074 -16.7074 -4.7305 -4.7305 -3.9164 -3.9164 -3.8089 -3.8089 -2.4746 -2.4746 -1.8691 -1.8691 -1.5305 -1.5305 -1.3196 -1.3196 -1.1250 -1.1250 0.7902 0.7902 0.8793 0.8793 1.7740 1.7740 1.9850 1.9850 2.0382 2.0382 2.2011 2.2011 2.3030 2.3030 2.4363 2.4363 3.3677 3.3677 10.2159 10.2159 11.8804 11.8804 13.3931 13.3931 13.5426 13.5426 k = 0.2917 0.5000-0.0000 ( 3424 PWs) bands (ev): -20.0027 -20.0027 -16.8475 -16.8475 -16.7200 -16.7200 -16.7085 -16.7085 -4.7327 -4.7327 -3.9208 -3.9208 -3.8082 -3.8082 -2.4835 -2.4835 -1.9006 -1.9006 -1.5417 -1.5417 -1.3383 -1.3383 -1.1336 -1.1336 0.7989 0.7989 0.8847 0.8847 1.7878 1.7878 1.9871 1.9871 2.0382 2.0382 2.2067 2.2067 2.2995 2.2995 2.4441 2.4441 3.4278 3.4278 10.2642 10.2642 11.9494 11.9494 13.4276 13.4276 13.5040 13.5040 k = 0.3056 0.5000-0.0000 ( 3424 PWs) bands (ev): -20.0021 -20.0021 -16.8429 -16.8429 -16.7206 -16.7206 -16.7095 -16.7095 -4.7349 -4.7349 -3.9252 -3.9252 -3.8075 -3.8075 -2.4932 -2.4932 -1.9310 -1.9310 -1.5528 -1.5528 -1.3546 -1.3546 -1.1417 -1.1417 0.8072 0.8072 0.8896 0.8896 1.8012 1.8012 1.9893 1.9893 2.0376 2.0376 2.2120 2.2120 2.2961 2.2961 2.4523 2.4523 3.4852 3.4852 10.3131 10.3131 12.0201 12.0201 13.4509 13.4509 13.4729 13.4729 k = 0.3194 0.5000-0.0000 ( 3432 PWs) bands (ev): -20.0015 -20.0015 -16.8383 -16.8383 -16.7212 -16.7212 -16.7107 -16.7107 -4.7370 -4.7370 -3.9294 -3.9294 -3.8067 -3.8067 -2.5036 -2.5036 -1.9600 -1.9600 -1.5638 -1.5638 -1.3688 -1.3688 -1.1493 -1.1493 0.8152 0.8152 0.8938 0.8938 1.8143 1.8143 1.9917 1.9917 2.0366 2.0366 2.2171 2.2171 2.2928 2.2928 2.4607 2.4607 3.5395 3.5395 10.3623 10.3623 12.0926 12.0926 13.4233 13.4233 13.4878 13.4878 k = 0.3333 0.5000-0.0000 ( 3430 PWs) bands (ev): -20.0009 -20.0009 -16.8337 -16.8337 -16.7217 -16.7217 -16.7118 -16.7118 -4.7390 -4.7390 -3.9335 -3.9335 -3.8059 -3.8059 -2.5145 -2.5145 -1.9870 -1.9870 -1.5744 -1.5744 -1.3811 -1.3811 -1.1563 -1.1563 0.8229 0.8229 0.8976 0.8976 1.8269 1.8269 1.9940 1.9940 2.0352 2.0352 2.2220 2.2220 2.2896 2.2896 2.4692 2.4692 3.5907 3.5907 10.4112 10.4112 12.1667 12.1667 13.3869 13.3869 13.5058 13.5058 k = 0.3472 0.5000-0.0000 ( 3432 PWs) bands (ev): -20.0003 -20.0003 -16.8293 -16.8293 -16.7223 -16.7223 -16.7130 -16.7130 -4.7410 -4.7410 -3.9374 -3.9374 -3.8051 -3.8051 -2.5257 -2.5257 -2.0119 -2.0119 -1.5846 -1.5846 -1.3918 -1.3918 -1.1628 -1.1628 0.8301 0.8301 0.9008 0.9008 1.8389 1.8389 1.9963 1.9963 2.0335 2.0335 2.2264 2.2264 2.2867 2.2867 2.4775 2.4775 3.6385 3.6385 10.4595 10.4595 12.2420 12.2420 13.3510 13.3510 13.5168 13.5168 k = 0.3611 0.5000-0.0000 ( 3432 PWs) bands (ev): -19.9998 -19.9998 -16.8250 -16.8250 -16.7228 -16.7228 -16.7142 -16.7142 -4.7428 -4.7428 -3.9411 -3.9411 -3.8043 -3.8043 -2.5373 -2.5373 -2.0343 -2.0343 -1.5941 -1.5941 -1.4012 -1.4012 -1.1687 -1.1687 0.8369 0.8369 0.9037 0.9037 1.8504 1.8504 1.9985 1.9985 2.0315 2.0315 2.2305 2.2305 2.2841 2.2841 2.4857 2.4857 3.6826 3.6826 10.5066 10.5066 12.3184 12.3184 13.3164 13.3164 13.5195 13.5195 k = 0.3750 0.5000-0.0000 ( 3428 PWs) bands (ev): -19.9993 -19.9993 -16.8209 -16.8209 -16.7233 -16.7233 -16.7154 -16.7154 -4.7445 -4.7445 -3.9445 -3.9445 -3.8036 -3.8036 -2.5488 -2.5488 -2.0544 -2.0544 -1.6029 -1.6029 -1.4093 -1.4093 -1.1742 -1.1742 0.8432 0.8432 0.9061 0.9061 1.8613 1.8613 2.0006 2.0006 2.0294 2.0294 2.2340 2.2340 2.2819 2.2819 2.4935 2.4935 3.7230 3.7230 10.5519 10.5519 12.3957 12.3957 13.2835 13.2835 13.5132 13.5132 k = 0.3889 0.5000-0.0000 ( 3440 PWs) bands (ev): -19.9988 -19.9988 -16.8171 -16.8171 -16.7239 -16.7239 -16.7166 -16.7166 -4.7461 -4.7461 -3.9476 -3.9476 -3.8029 -3.8029 -2.5601 -2.5601 -2.0721 -2.0721 -1.6110 -1.6110 -1.4164 -1.4164 -1.1791 -1.1791 0.8490 0.8490 0.9081 0.9081 1.8715 1.8715 2.0024 2.0024 2.0271 2.0271 2.2370 2.2370 2.2800 2.2800 2.5008 2.5008 3.7594 3.7594 10.5948 10.5948 12.4737 12.4737 13.2525 13.2525 13.4976 13.4976 k = 0.4028 0.5000-0.0000 ( 3440 PWs) bands (ev): -19.9984 -19.9984 -16.8135 -16.8135 -16.7244 -16.7244 -16.7176 -16.7176 -4.7475 -4.7475 -3.9504 -3.9504 -3.8022 -3.8022 -2.5709 -2.5709 -2.0872 -2.0872 -1.6183 -1.6183 -1.4224 -1.4224 -1.1834 -1.1834 0.8542 0.8542 0.9098 0.9098 1.8809 1.8809 2.0038 2.0038 2.0249 2.0249 2.2393 2.2393 2.2787 2.2787 2.5075 2.5075 3.7918 3.7918 10.6348 10.6348 12.5520 12.5520 13.2239 13.2239 13.4730 13.4730 k = 0.4167 0.5000-0.0000 ( 3442 PWs) bands (ev): -19.9980 -19.9980 -16.8103 -16.8103 -16.7250 -16.7250 -16.7186 -16.7186 -4.7488 -4.7488 -3.9529 -3.9529 -3.8016 -3.8016 -2.5809 -2.5809 -2.1001 -2.1001 -1.6247 -1.6247 -1.4276 -1.4276 -1.1872 -1.1872 0.8588 0.8588 0.9112 0.9112 1.8894 1.8894 2.0048 2.0048 2.0229 2.0229 2.2411 2.2411 2.2779 2.2779 2.5135 2.5135 3.8201 3.8201 10.6712 10.6712 12.6304 12.6304 13.1979 13.1979 13.4398 13.4398 k = 0.4306 0.5000-0.0000 ( 3436 PWs) bands (ev): -19.9977 -19.9977 -16.8074 -16.8074 -16.7255 -16.7255 -16.7194 -16.7194 -4.7499 -4.7499 -3.9550 -3.9550 -3.8011 -3.8011 -2.5899 -2.5899 -2.1107 -2.1107 -1.6300 -1.6300 -1.4318 -1.4318 -1.1904 -1.1904 0.8628 0.8628 0.9123 0.9123 1.8970 1.8970 2.0053 2.0053 2.0213 2.0213 2.2423 2.2423 2.2774 2.2774 2.5188 2.5188 3.8442 3.8442 10.7033 10.7033 12.7085 12.7085 13.1750 13.1750 13.3988 13.3988 k = 0.4444 0.5000-0.0000 ( 3440 PWs) bands (ev): -19.9975 -19.9975 -16.8050 -16.8050 -16.7261 -16.7261 -16.7201 -16.7201 -4.7508 -4.7508 -3.9568 -3.9568 -3.8006 -3.8006 -2.5976 -2.5976 -2.1193 -2.1193 -1.6345 -1.6345 -1.4353 -1.4353 -1.1930 -1.1930 0.8661 0.8661 0.9130 0.9130 1.9036 1.9036 2.0052 2.0052 2.0201 2.0201 2.2431 2.2431 2.2773 2.2773 2.5232 2.5232 3.8639 3.8639 10.7305 10.7305 12.7859 12.7859 13.1551 13.1551 13.3512 13.3512 k = 0.4583 0.5000-0.0000 ( 3432 PWs) bands (ev): -19.9972 -19.9972 -16.8030 -16.8030 -16.7266 -16.7266 -16.7206 -16.7206 -4.7515 -4.7515 -3.9582 -3.9582 -3.8003 -3.8003 -2.6038 -2.6038 -2.1258 -2.1258 -1.6380 -1.6380 -1.4379 -1.4379 -1.1950 -1.1950 0.8688 0.8688 0.9136 0.9136 1.9089 1.9089 2.0046 2.0046 2.0195 2.0195 2.2435 2.2435 2.2774 2.2774 2.5267 2.5267 3.8794 3.8794 10.7523 10.7523 12.8620 12.8620 13.1384 13.1384 13.2984 13.2984 k = 0.4722 0.5000-0.0000 ( 3432 PWs) bands (ev): -19.9971 -19.9971 -16.8016 -16.8016 -16.7269 -16.7269 -16.7210 -16.7210 -4.7521 -4.7521 -3.9592 -3.9592 -3.8000 -3.8000 -2.6083 -2.6083 -2.1304 -2.1304 -1.6405 -1.6405 -1.4398 -1.4398 -1.1964 -1.1964 0.8707 0.8707 0.9140 0.9140 1.9129 1.9129 2.0038 2.0038 2.0192 2.0192 2.2437 2.2437 2.2775 2.2775 2.5293 2.5293 3.8905 3.8905 10.7683 10.7683 12.9358 12.9358 13.1237 13.1237 13.2435 13.2435 k = 0.4861 0.5000-0.0000 ( 3432 PWs) bands (ev): -19.9970 -19.9970 -16.8007 -16.8007 -16.7272 -16.7272 -16.7212 -16.7212 -4.7524 -4.7524 -3.9598 -3.9598 -3.7999 -3.7999 -2.6111 -2.6111 -2.1331 -2.1331 -1.6420 -1.6420 -1.4409 -1.4409 -1.1973 -1.1973 0.8718 0.8718 0.9142 0.9142 1.9154 1.9154 2.0032 2.0032 2.0191 2.0191 2.2438 2.2438 2.2777 2.2777 2.5308 2.5308 3.8971 3.8971 10.7780 10.7780 13.0054 13.0054 13.1052 13.1052 13.1946 13.1946 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): -19.9970 -19.9970 -16.8004 -16.8004 -16.7273 -16.7273 -16.7213 -16.7213 -4.7525 -4.7525 -3.9600 -3.9600 -3.7998 -3.7998 -2.6122 -2.6122 -2.1342 -2.1342 -1.6428 -1.6428 -1.4415 -1.4415 -1.1978 -1.1978 0.8722 0.8722 0.9142 0.9142 1.9161 1.9161 2.0030 2.0030 2.0191 2.0191 2.2438 2.2438 2.2777 2.2777 2.5313 2.5313 3.8993 3.8993 10.7813 10.7813 13.0601 13.0601 13.0722 13.0722 13.1735 13.1735 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): -19.9970 -19.9970 -16.8004 -16.8004 -16.7273 -16.7273 -16.7213 -16.7213 -4.7525 -4.7525 -3.9600 -3.9600 -3.7998 -3.7998 -2.6122 -2.6122 -2.1342 -2.1342 -1.6428 -1.6428 -1.4415 -1.4415 -1.1978 -1.1978 0.8722 0.8722 0.9142 0.9142 1.9161 1.9161 2.0030 2.0030 2.0191 2.0191 2.2438 2.2438 2.2777 2.2777 2.5313 2.5313 3.8993 3.8993 10.7813 10.7813 13.0601 13.0601 13.0722 13.0722 13.1735 13.1735 k = 0.4902 0.4902-0.0000 ( 3444 PWs) bands (ev): -19.9970 -19.9970 -16.8007 -16.8007 -16.7272 -16.7272 -16.7212 -16.7212 -4.7524 -4.7524 -3.9598 -3.9598 -3.7999 -3.7999 -2.6111 -2.6111 -2.1332 -2.1332 -1.6421 -1.6421 -1.4410 -1.4410 -1.1974 -1.1974 0.8718 0.8718 0.9142 0.9142 1.9154 1.9154 2.0032 2.0032 2.0191 2.0191 2.2438 2.2438 2.2776 2.2776 2.5308 2.5308 3.8972 3.8972 10.7780 10.7780 13.0060 13.0060 13.1044 13.1044 13.1949 13.1949 k = 0.4804 0.4804-0.0000 ( 3428 PWs) bands (ev): -19.9971 -19.9971 -16.8016 -16.8016 -16.7269 -16.7269 -16.7210 -16.7210 -4.7521 -4.7521 -3.9592 -3.9592 -3.8000 -3.8000 -2.6083 -2.6083 -2.1304 -2.1304 -1.6405 -1.6405 -1.4398 -1.4398 -1.1964 -1.1964 0.8707 0.8707 0.9141 0.9141 1.9130 1.9130 2.0038 2.0038 2.0192 2.0192 2.2438 2.2438 2.2775 2.2775 2.5293 2.5293 3.8905 3.8905 10.7682 10.7682 12.9389 12.9389 13.1189 13.1189 13.2455 13.2455 k = 0.4706 0.4706-0.0000 ( 3428 PWs) bands (ev): -19.9972 -19.9972 -16.8030 -16.8030 -16.7266 -16.7266 -16.7206 -16.7206 -4.7515 -4.7515 -3.9582 -3.9582 -3.8003 -3.8003 -2.6036 -2.6036 -2.1259 -2.1259 -1.6380 -1.6380 -1.4379 -1.4379 -1.1950 -1.1950 0.8688 0.8688 0.9137 0.9137 1.9091 1.9091 2.0046 2.0046 2.0194 2.0194 2.2436 2.2436 2.2773 2.2773 2.5267 2.5267 3.8796 3.8796 10.7516 10.7516 12.8703 12.8703 13.1267 13.1267 13.3031 13.3031 k = 0.4608 0.4608-0.0000 ( 3430 PWs) bands (ev): -19.9975 -19.9975 -16.8050 -16.8050 -16.7261 -16.7261 -16.7201 -16.7201 -4.7508 -4.7508 -3.9568 -3.9568 -3.8006 -3.8006 -2.5971 -2.5971 -2.1197 -2.1197 -1.6345 -1.6345 -1.4353 -1.4353 -1.1930 -1.1930 0.8662 0.8662 0.9131 0.9131 1.9039 1.9039 2.0054 2.0054 2.0198 2.0198 2.2435 2.2435 2.2769 2.2769 2.5232 2.5232 3.8643 3.8643 10.7281 10.7281 12.8030 12.8030 13.1339 13.1339 13.3596 13.3596 k = 0.4510 0.4510-0.0000 ( 3436 PWs) bands (ev): -19.9977 -19.9977 -16.8074 -16.8074 -16.7256 -16.7256 -16.7194 -16.7194 -4.7499 -4.7499 -3.9551 -3.9551 -3.8011 -3.8011 -2.5888 -2.5888 -2.1117 -2.1117 -1.6301 -1.6301 -1.4319 -1.4319 -1.1904 -1.1904 0.8629 0.8629 0.9123 0.9123 1.8978 1.8978 2.0058 2.0058 2.0205 2.0205 2.2432 2.2432 2.2765 2.2765 2.5186 2.5186 3.8447 3.8447 10.6975 10.6975 12.7385 12.7385 13.1415 13.1415 13.4122 13.4122 k = 0.4412 0.4412-0.0000 ( 3436 PWs) bands (ev): -19.9980 -19.9980 -16.8103 -16.8103 -16.7250 -16.7250 -16.7186 -16.7186 -4.7489 -4.7489 -3.9530 -3.9530 -3.8016 -3.8016 -2.5786 -2.5786 -2.1021 -2.1021 -1.6246 -1.6246 -1.4278 -1.4278 -1.1873 -1.1873 0.8589 0.8589 0.9112 0.9112 1.8909 1.8909 2.0057 2.0057 2.0215 2.0215 2.2428 2.2428 2.2761 2.2761 2.5130 2.5130 3.8210 3.8210 10.6595 10.6595 12.6781 12.6781 13.1498 13.1498 13.4601 13.4601 k = 0.4314 0.4314-0.0000 ( 3442 PWs) bands (ev): -19.9984 -19.9984 -16.8135 -16.8135 -16.7245 -16.7245 -16.7176 -16.7176 -4.7476 -4.7476 -3.9505 -3.9505 -3.8022 -3.8022 -2.5666 -2.5666 -2.0909 -2.0909 -1.6182 -1.6182 -1.4229 -1.4229 -1.1836 -1.1836 0.8544 0.8544 0.9098 0.9098 1.8834 1.8834 2.0051 2.0051 2.0229 2.0229 2.2423 2.2423 2.2756 2.2756 2.5065 2.5065 3.7934 3.7934 10.6140 10.6140 12.6229 12.6229 13.1585 13.1585 13.5028 13.5028 k = 0.4216 0.4216-0.0000 ( 3442 PWs) bands (ev): -19.9989 -19.9989 -16.8171 -16.8171 -16.7240 -16.7240 -16.7166 -16.7166 -4.7462 -4.7462 -3.9478 -3.9478 -3.8029 -3.8029 -2.5527 -2.5527 -2.0780 -2.0780 -1.6108 -1.6108 -1.4172 -1.4172 -1.1794 -1.1794 0.8493 0.8493 0.9082 0.9082 1.8755 1.8755 2.0040 2.0040 2.0244 2.0244 2.2416 2.2416 2.2751 2.2751 2.4990 2.4990 3.7619 3.7619 10.5609 10.5609 12.5733 12.5733 13.1672 13.1672 13.5403 13.5403 k = 0.4118 0.4118-0.0000 ( 3428 PWs) bands (ev): -19.9994 -19.9994 -16.8209 -16.8209 -16.7234 -16.7234 -16.7155 -16.7155 -4.7447 -4.7447 -3.9447 -3.9447 -3.8037 -3.8037 -2.5371 -2.5371 -2.0636 -2.0636 -1.6025 -1.6025 -1.4107 -1.4107 -1.1746 -1.1746 0.8437 0.8437 0.9062 0.9062 1.8675 1.8675 2.0023 2.0023 2.0261 2.0261 2.2408 2.2408 2.2747 2.2747 2.4906 2.4906 3.7268 3.7268 10.5004 10.5004 12.5300 12.5300 13.1757 13.1757 13.5726 13.5726 k = 0.4020 0.4020-0.0000 ( 3430 PWs) bands (ev): -19.9999 -19.9999 -16.8250 -16.8250 -16.7229 -16.7229 -16.7143 -16.7143 -4.7430 -4.7430 -3.9414 -3.9414 -3.8045 -3.8045 -2.5197 -2.5197 -2.0478 -2.0478 -1.5934 -1.5934 -1.4034 -1.4034 -1.1694 -1.1694 0.8376 0.8376 0.9039 0.9039 1.8595 1.8595 2.0002 2.0002 2.0277 2.0277 2.2398 2.2398 2.2742 2.2742 2.4813 2.4813 3.6881 3.6881 10.4326 10.4326 12.4929 12.4929 13.1833 13.1833 13.6000 13.6000 k = 0.3922 0.3922-0.0000 ( 3430 PWs) bands (ev): -20.0005 -20.0005 -16.8293 -16.8293 -16.7224 -16.7224 -16.7132 -16.7132 -4.7413 -4.7413 -3.9379 -3.9379 -3.8054 -3.8054 -2.5006 -2.5006 -2.0307 -2.0307 -1.5834 -1.5834 -1.3953 -1.3953 -1.1637 -1.1637 0.8310 0.8310 0.9012 0.9012 1.8516 1.8516 1.9976 1.9976 2.0293 2.0293 2.2385 2.2385 2.2738 2.2738 2.4712 2.4712 3.6462 3.6462 10.3580 10.3580 12.4621 12.4621 13.1895 13.1895 13.6226 13.6226 k = 0.3824 0.3824-0.0000 ( 3435 PWs) bands (ev): -20.0012 -20.0012 -16.8338 -16.8338 -16.7219 -16.7219 -16.7121 -16.7121 -4.7395 -4.7395 -3.9342 -3.9342 -3.8064 -3.8064 -2.4797 -2.4797 -2.0123 -2.0123 -1.5727 -1.5727 -1.3864 -1.3864 -1.1575 -1.1575 0.8241 0.8241 0.8981 0.8981 1.8441 1.8441 1.9946 1.9946 2.0308 2.0308 2.2371 2.2371 2.2735 2.2735 2.4602 2.4602 3.6012 3.6012 10.2771 10.2771 12.4372 12.4372 13.1938 13.1938 13.6407 13.6407 k = 0.3725 0.3725-0.0000 ( 3429 PWs) bands (ev): -20.0019 -20.0019 -16.8384 -16.8384 -16.7213 -16.7213 -16.7110 -16.7110 -4.7376 -4.7376 -3.9303 -3.9303 -3.8073 -3.8073 -2.4572 -2.4572 -1.9927 -1.9927 -1.5612 -1.5612 -1.3765 -1.3765 -1.1509 -1.1509 0.8168 0.8168 0.8946 0.8946 1.8371 1.8371 1.9911 1.9911 2.0322 2.0322 2.2354 2.2354 2.2732 2.2732 2.4484 2.4484 3.5533 3.5533 10.1904 10.1904 12.4178 12.4178 13.1956 13.1956 13.6543 13.6543 k = 0.3627 0.3627-0.0000 ( 3429 PWs) bands (ev): -20.0026 -20.0026 -16.8431 -16.8431 -16.7207 -16.7207 -16.7100 -16.7100 -4.7356 -4.7356 -3.9263 -3.9263 -3.8083 -3.8083 -2.4330 -2.4330 -1.9722 -1.9722 -1.5490 -1.5490 -1.3657 -1.3657 -1.1439 -1.1439 0.8092 0.8092 0.8906 0.8906 1.8308 1.8308 1.9871 1.9871 2.0335 2.0335 2.2334 2.2334 2.2731 2.2731 2.4358 2.4358 3.5029 3.5029 10.0986 10.0986 12.4034 12.4034 13.1943 13.1943 13.6636 13.6636 k = 0.3529 0.3529-0.0000 ( 3425 PWs) bands (ev): -20.0035 -20.0035 -16.8480 -16.8480 -16.7201 -16.7201 -16.7091 -16.7091 -4.7337 -4.7337 -3.9222 -3.9222 -3.8093 -3.8093 -2.4072 -2.4072 -1.9507 -1.9507 -1.5360 -1.5360 -1.3540 -1.3540 -1.1365 -1.1365 0.8013 0.8013 0.8862 0.8862 1.8253 1.8253 1.9824 1.9824 2.0348 2.0348 2.2312 2.2312 2.2730 2.2730 2.4226 2.4226 3.4502 3.4502 10.0025 10.0025 12.3933 12.3933 13.1894 13.1894 13.6685 13.6685 k = 0.3431 0.3431-0.0000 ( 3435 PWs) bands (ev): -20.0043 -20.0043 -16.8529 -16.8529 -16.7195 -16.7195 -16.7082 -16.7082 -4.7317 -4.7317 -3.9181 -3.9181 -3.8104 -3.8104 -2.3800 -2.3800 -1.9285 -1.9285 -1.5224 -1.5224 -1.3413 -1.3413 -1.1289 -1.1289 0.7931 0.7931 0.8814 0.8814 1.8207 1.8207 1.9771 1.9771 2.0360 2.0360 2.2287 2.2287 2.2729 2.2729 2.4087 2.4087 3.3955 3.3955 9.9025 9.9025 12.3870 12.3870 13.1806 13.1806 13.6690 13.6690 k = 0.3333 0.3333-0.0000 ( 3437 PWs) bands (ev): -20.0052 -20.0052 -16.8579 -16.8579 -16.7189 -16.7189 -16.7074 -16.7074 -4.7298 -4.7298 -3.9140 -3.9140 -3.8115 -3.8115 -2.3512 -2.3512 -1.9057 -1.9057 -1.5082 -1.5082 -1.3276 -1.3276 -1.1208 -1.1208 0.7848 0.7848 0.8762 0.8762 1.8172 1.8172 1.9709 1.9709 2.0372 2.0372 2.2261 2.2261 2.2729 2.2729 2.3942 2.3942 3.3391 3.3391 9.7995 9.7995 12.3836 12.3836 13.1675 13.1675 13.6649 13.6649 k = 0.3235 0.3235-0.0000 ( 3429 PWs) bands (ev): -20.0062 -20.0062 -16.8629 -16.8629 -16.7183 -16.7183 -16.7067 -16.7067 -4.7279 -4.7279 -3.9098 -3.9098 -3.8125 -3.8125 -2.3209 -2.3209 -1.8824 -1.8824 -1.4933 -1.4933 -1.3127 -1.3127 -1.1124 -1.1124 0.7763 0.7763 0.8706 0.8706 1.8149 1.8149 1.9639 1.9639 2.0384 2.0384 2.2232 2.2232 2.2730 2.2730 2.3792 2.3792 3.2813 3.2813 9.6939 9.6939 12.3827 12.3827 13.1498 13.1498 13.6562 13.6562 k = 0.3137 0.3137-0.0000 ( 3429 PWs) bands (ev): -20.0072 -20.0072 -16.8679 -16.8679 -16.7176 -16.7176 -16.7060 -16.7060 -4.7260 -4.7260 -3.9058 -3.9058 -3.8136 -3.8136 -2.2892 -2.2892 -1.8588 -1.8588 -1.4779 -1.4779 -1.2967 -1.2967 -1.1038 -1.1038 0.7678 0.7678 0.8645 0.8645 1.8138 1.8138 1.9557 1.9557 2.0397 2.0397 2.2201 2.2201 2.2730 2.2730 2.3638 2.3638 3.2225 3.2225 9.5864 9.5864 12.3837 12.3837 13.1276 13.1276 13.6427 13.6427 k = 0.3039 0.3039-0.0000 ( 3431 PWs) bands (ev): -20.0082 -20.0082 -16.8730 -16.8730 -16.7169 -16.7169 -16.7054 -16.7054 -4.7242 -4.7242 -3.9018 -3.9018 -3.8147 -3.8147 -2.2563 -2.2563 -1.8352 -1.8352 -1.4619 -1.4619 -1.2796 -1.2796 -1.0951 -1.0951 0.7591 0.7591 0.8580 0.8580 1.8141 1.8141 1.9462 1.9462 2.0410 2.0410 2.2169 2.2169 2.2731 2.2731 2.3481 2.3481 3.1631 3.1631 9.4773 9.4773 12.3859 12.3859 13.1008 13.1008 13.6244 13.6244 k = 0.2941 0.2941-0.0000 ( 3427 PWs) bands (ev): -20.0093 -20.0093 -16.8780 -16.8780 -16.7162 -16.7162 -16.7049 -16.7049 -4.7224 -4.7224 -3.8979 -3.8979 -3.8157 -3.8157 -2.2221 -2.2221 -1.8116 -1.8116 -1.4453 -1.4453 -1.2612 -1.2612 -1.0861 -1.0861 0.7504 0.7504 0.8512 0.8512 1.8157 1.8157 1.9353 1.9353 2.0424 2.0424 2.2134 2.2134 2.2731 2.2731 2.3323 2.3323 3.1035 3.1035 9.3673 9.3673 12.3888 12.3888 13.0697 13.0697 13.6016 13.6016 k = 0.2843 0.2843-0.0000 ( 3431 PWs) bands (ev): -20.0104 -20.0104 -16.8830 -16.8830 -16.7155 -16.7155 -16.7045 -16.7045 -4.7208 -4.7208 -3.8942 -3.8942 -3.8168 -3.8168 -2.1868 -2.1868 -1.7882 -1.7882 -1.4282 -1.4282 -1.2416 -1.2416 -1.0770 -1.0770 0.7418 0.7418 0.8440 0.8440 1.8184 1.8184 1.9227 1.9227 2.0440 2.0440 2.2099 2.2099 2.2729 2.2729 2.3166 2.3166 3.0440 3.0440 9.2566 9.2566 12.3920 12.3920 13.0346 13.0346 13.5744 13.5744 k = 0.2745 0.2745-0.0000 ( 3439 PWs) bands (ev): -20.0115 -20.0115 -16.8879 -16.8879 -16.7148 -16.7148 -16.7040 -16.7040 -4.7192 -4.7192 -3.8906 -3.8906 -3.8179 -3.8179 -2.1506 -2.1506 -1.7654 -1.7654 -1.4105 -1.4105 -1.2207 -1.2207 -1.0678 -1.0678 0.7331 0.7331 0.8365 0.8365 1.8219 1.8219 1.9086 1.9086 2.0457 2.0457 2.2062 2.2062 2.2722 2.2722 2.3015 2.3015 2.9851 2.9851 9.1458 9.1458 12.3949 12.3949 12.9958 12.9958 13.5435 13.5435 k = 0.2647 0.2647-0.0000 ( 3447 PWs) bands (ev): -20.0127 -20.0127 -16.8928 -16.8928 -16.7141 -16.7141 -16.7037 -16.7037 -4.7178 -4.7178 -3.8872 -3.8872 -3.8190 -3.8190 -2.1134 -2.1134 -1.7430 -1.7430 -1.3922 -1.3922 -1.1985 -1.1985 -1.0586 -1.0586 0.7246 0.7246 0.8286 0.8286 1.8252 1.8252 1.8936 1.8936 2.0475 2.0475 2.2024 2.2024 2.2700 2.2700 2.2883 2.2883 2.9272 2.9272 9.0350 9.0350 12.3972 12.3972 12.9538 12.9538 13.5096 13.5096 k = 0.2549 0.2549-0.0000 ( 3445 PWs) bands (ev): -20.0139 -20.0139 -16.8976 -16.8976 -16.7134 -16.7134 -16.7034 -16.7034 -4.7164 -4.7164 -3.8840 -3.8840 -3.8202 -3.8202 -2.0755 -2.0755 -1.7213 -1.7213 -1.3731 -1.3731 -1.1750 -1.1750 -1.0493 -1.0493 0.7161 0.7161 0.8205 0.8205 1.8250 1.8250 1.8806 1.8806 2.0496 2.0496 2.1984 2.1984 2.2630 2.2630 2.2805 2.2805 2.8710 2.8710 8.9247 8.9247 12.3984 12.3984 12.9091 12.9091 13.4734 13.4734 k = 0.2451 0.2451-0.0000 ( 3445 PWs) bands (ev): -20.0151 -20.0151 -16.9024 -16.9024 -16.7127 -16.7127 -16.7032 -16.7032 -4.7152 -4.7152 -3.8809 -3.8809 -3.8213 -3.8213 -2.0370 -2.0370 -1.7004 -1.7004 -1.3533 -1.3533 -1.1502 -1.1502 -1.0400 -1.0400 0.7079 0.7079 0.8122 0.8122 1.8149 1.8149 1.8754 1.8754 2.0519 2.0519 2.1943 2.1943 2.2513 2.2513 2.2781 2.2781 2.8167 2.8167 8.8151 8.8151 12.3981 12.3981 12.8621 12.8621 13.4359 13.4359 k = 0.2353 0.2353-0.0000 ( 3449 PWs) bands (ev): -20.0163 -20.0163 -16.9070 -16.9070 -16.7120 -16.7120 -16.7030 -16.7030 -4.7141 -4.7141 -3.8781 -3.8781 -3.8225 -3.8225 -1.9982 -1.9982 -1.6805 -1.6805 -1.3327 -1.3327 -1.1242 -1.1242 -1.0307 -1.0307 0.6997 0.6997 0.8036 0.8036 1.7927 1.7927 1.8800 1.8800 2.0543 2.0543 2.1901 2.1901 2.2388 2.2388 2.2773 2.2773 2.7648 2.7648 8.7066 8.7066 12.3959 12.3959 12.8135 12.8135 13.3978 13.3978 k = 0.2255 0.2255-0.0000 ( 3449 PWs) bands (ev): -20.0175 -20.0175 -16.9116 -16.9116 -16.7113 -16.7113 -16.7028 -16.7028 -4.7131 -4.7131 -3.8755 -3.8755 -3.8238 -3.8238 -1.9591 -1.9591 -1.6615 -1.6615 -1.3112 -1.3112 -1.0972 -1.0972 -1.0216 -1.0216 0.6918 0.6918 0.7948 0.7948 1.7621 1.7621 1.8902 1.8902 2.0571 2.0571 2.1858 2.1858 2.2270 2.2270 2.2771 2.2771 2.7156 2.7156 8.5994 8.5994 12.3917 12.3917 12.7636 12.7636 13.3600 13.3600 k = 0.2157 0.2157-0.0000 ( 3453 PWs) bands (ev): -20.0187 -20.0187 -16.9160 -16.9160 -16.7106 -16.7106 -16.7026 -16.7026 -4.7122 -4.7122 -3.8730 -3.8730 -3.8250 -3.8250 -1.9202 -1.9202 -1.6436 -1.6436 -1.2886 -1.2886 -1.0691 -1.0691 -1.0125 -1.0125 0.6840 0.6840 0.7859 0.7859 1.7254 1.7254 1.9037 1.9037 2.0600 2.0600 2.1814 2.1814 2.2163 2.2163 2.2770 2.2770 2.6696 2.6696 8.4938 8.4938 12.3851 12.3851 12.7129 12.7129 13.3232 13.3232 k = 0.2059 0.2059-0.0000 ( 3447 PWs) bands (ev): -20.0199 -20.0199 -16.9203 -16.9203 -16.7099 -16.7099 -16.7025 -16.7025 -4.7114 -4.7114 -3.8708 -3.8708 -3.8264 -3.8264 -1.8816 -1.8816 -1.6267 -1.6267 -1.2646 -1.2646 -1.0401 -1.0401 -1.0036 -1.0036 0.6765 0.6765 0.7769 0.7769 1.6835 1.6835 1.9193 1.9193 2.0632 2.0632 2.1768 2.1768 2.2068 2.2068 2.2769 2.2769 2.6266 2.6266 8.3901 8.3901 12.3760 12.3760 12.6620 12.6620 13.2879 13.2879 k = 0.1961 0.1961-0.0000 ( 3447 PWs) bands (ev): -20.0211 -20.0211 -16.9245 -16.9245 -16.7092 -16.7092 -16.7024 -16.7024 -4.7108 -4.7108 -3.8687 -3.8687 -3.8277 -3.8277 -1.8436 -1.8436 -1.6108 -1.6108 -1.2394 -1.2394 -1.0107 -1.0107 -0.9947 -0.9947 0.6693 0.6693 0.7678 0.7678 1.6369 1.6369 1.9366 1.9366 2.0666 2.0666 2.1721 2.1721 2.1986 2.1986 2.2769 2.2769 2.5870 2.5870 8.2884 8.2884 12.3642 12.3642 12.6112 12.6112 13.2548 13.2548 k = 0.1863 0.1863-0.0000 ( 3441 PWs) bands (ev): -20.0223 -20.0223 -16.9285 -16.9285 -16.7085 -16.7085 -16.7023 -16.7023 -4.7103 -4.7103 -3.8668 -3.8668 -3.8292 -3.8292 -1.8065 -1.8065 -1.5960 -1.5960 -1.2125 -1.2125 -0.9874 -0.9874 -0.9792 -0.9792 0.6622 0.6622 0.7587 0.7587 1.5861 1.5861 1.9552 1.9552 2.0703 2.0703 2.1674 2.1674 2.1915 2.1915 2.2769 2.2769 2.5507 2.5507 8.1892 8.1892 12.3498 12.3498 12.5608 12.5608 13.2241 13.2241 k = 0.1765 0.1765-0.0000 ( 3443 PWs) bands (ev): -20.0235 -20.0235 -16.9324 -16.9324 -16.7079 -16.7079 -16.7022 -16.7022 -4.7099 -4.7099 -3.8650 -3.8650 -3.8307 -3.8307 -1.7707 -1.7707 -1.5823 -1.5823 -1.1839 -1.1839 -0.9786 -0.9786 -0.9492 -0.9492 0.6555 0.6555 0.7495 0.7495 1.5316 1.5316 1.9750 1.9750 2.0741 2.0741 2.1627 2.1627 2.1855 2.1855 2.2768 2.2768 2.5175 2.5175 8.0925 8.0925 12.3328 12.3328 12.5113 12.5113 13.1960 13.1960 k = 0.1667 0.1667-0.0000 ( 3443 PWs) bands (ev): -20.0246 -20.0246 -16.9361 -16.9361 -16.7072 -16.7072 -16.7021 -16.7021 -4.7096 -4.7096 -3.8634 -3.8634 -3.8322 -3.8322 -1.7364 -1.7364 -1.5696 -1.5696 -1.1534 -1.1534 -0.9707 -0.9707 -0.9185 -0.9185 0.6489 0.6489 0.7403 0.7403 1.4738 1.4738 1.9956 1.9956 2.0782 2.0782 2.1583 2.1583 2.1803 2.1803 2.2767 2.2767 2.4875 2.4875 7.9988 7.9988 12.3135 12.3135 12.4629 12.4629 13.1708 13.1708 k = 0.1569 0.1569-0.0000 ( 3443 PWs) bands (ev): -20.0258 -20.0258 -16.9397 -16.9397 -16.7066 -16.7066 -16.7020 -16.7020 -4.7094 -4.7094 -3.8620 -3.8620 -3.8338 -3.8338 -1.7039 -1.7039 -1.5578 -1.5578 -1.1209 -1.1209 -0.9630 -0.9630 -0.8879 -0.8879 0.6426 0.6426 0.7312 0.7312 1.4134 1.4134 2.0168 2.0168 2.0825 2.0825 2.1541 2.1541 2.1758 2.1758 2.2766 2.2766 2.4604 2.4604 7.9082 7.9082 12.2922 12.2922 12.4159 12.4159 13.1482 13.1482 k = 0.1471 0.1471-0.0000 ( 3435 PWs) bands (ev): -20.0268 -20.0268 -16.9431 -16.9431 -16.7060 -16.7060 -16.7020 -16.7020 -4.7092 -4.7092 -3.8606 -3.8606 -3.8354 -3.8354 -1.6735 -1.6735 -1.5469 -1.5469 -1.0863 -1.0863 -0.9557 -0.9557 -0.8574 -0.8574 0.6365 0.6365 0.7222 0.7222 1.3509 1.3509 2.0382 2.0382 2.0871 2.0871 2.1502 2.1502 2.1718 2.1718 2.2765 2.2765 2.4361 2.4361 7.8211 7.8211 12.2693 12.2693 12.3706 12.3706 13.1283 13.1283 k = 0.1373 0.1373-0.0000 ( 3427 PWs) bands (ev): -20.0279 -20.0279 -16.9463 -16.9463 -16.7055 -16.7055 -16.7019 -16.7019 -4.7092 -4.7092 -3.8594 -3.8594 -3.8370 -3.8370 -1.6453 -1.6453 -1.5369 -1.5369 -1.0496 -1.0496 -0.9487 -0.9487 -0.8275 -0.8275 0.6307 0.6307 0.7134 0.7134 1.2869 1.2869 2.0592 2.0592 2.0924 2.0924 2.1467 2.1467 2.1683 2.1683 2.2763 2.2763 2.4143 2.4143 7.7377 7.7377 12.2451 12.2451 12.3273 12.3273 13.1109 13.1109 k = 0.1275 0.1275-0.0000 ( 3427 PWs) bands (ev): -20.0289 -20.0289 -16.9493 -16.9493 -16.7049 -16.7049 -16.7018 -16.7018 -4.7092 -4.7092 -3.8583 -3.8583 -3.8386 -3.8386 -1.6195 -1.6195 -1.5279 -1.5279 -1.0111 -1.0111 -0.9420 -0.9420 -0.7983 -0.7983 0.6250 0.6250 0.7049 0.7049 1.2219 1.2219 2.0781 2.0781 2.0994 2.0994 2.1436 2.1436 2.1652 2.1652 2.2762 2.2762 2.3950 2.3950 7.6583 7.6583 12.2202 12.2202 12.2861 12.2861 13.0958 13.0958 k = 0.1176 0.1176-0.0000 ( 3431 PWs) bands (ev): -20.0298 -20.0298 -16.9521 -16.9521 -16.7044 -16.7044 -16.7018 -16.7018 -4.7092 -4.7092 -3.8573 -3.8573 -3.8402 -3.8402 -1.5960 -1.5960 -1.5196 -1.5196 -0.9714 -0.9714 -0.9353 -0.9353 -0.7701 -0.7701 0.6194 0.6194 0.6966 0.6966 1.1567 1.1567 2.0912 2.0912 2.1114 2.1114 2.1412 2.1412 2.1625 2.1625 2.2760 2.2760 2.3780 2.3780 7.5833 7.5833 12.1951 12.1951 12.2473 12.2473 13.0826 13.0826 k = 0.1078 0.1078-0.0000 ( 3433 PWs) bands (ev): -20.0307 -20.0307 -16.9547 -16.9547 -16.7040 -16.7040 -16.7017 -16.7017 -4.7094 -4.7094 -3.8564 -3.8564 -3.8418 -3.8418 -1.5750 -1.5750 -1.5122 -1.5122 -0.9366 -0.9366 -0.9227 -0.9227 -0.7431 -0.7431 0.6140 0.6140 0.6888 0.6888 1.0917 1.0917 2.0982 2.0982 2.1264 2.1264 2.1412 2.1412 2.1602 2.1602 2.2760 2.2760 2.3632 2.3632 7.5128 7.5128 12.1701 12.1701 12.2109 12.2109 13.0713 13.0713 k = 0.0980 0.0980-0.0000 ( 3419 PWs) bands (ev): -20.0316 -20.0316 -16.9571 -16.9571 -16.7035 -16.7035 -16.7017 -16.7017 -4.7095 -4.7095 -3.8556 -3.8556 -3.8433 -3.8433 -1.5562 -1.5562 -1.5054 -1.5054 -0.9269 -0.9269 -0.8842 -0.8842 -0.7173 -0.7173 0.6087 0.6087 0.6814 0.6814 1.0277 1.0277 2.1031 2.1031 2.1320 2.1320 2.1511 2.1511 2.1589 2.1589 2.2761 2.2761 2.3504 2.3504 7.4471 7.4471 12.1458 12.1458 12.1772 12.1772 13.0616 13.0616 k = 0.0882 0.0882-0.0000 ( 3417 PWs) bands (ev): -20.0323 -20.0323 -16.9593 -16.9593 -16.7031 -16.7031 -16.7016 -16.7016 -4.7097 -4.7097 -3.8548 -3.8548 -3.8448 -3.8448 -1.5397 -1.5397 -1.4994 -1.4994 -0.9216 -0.9216 -0.8414 -0.8414 -0.6933 -0.6933 0.6034 0.6034 0.6746 0.6746 0.9654 0.9654 2.1071 2.1071 2.1311 2.1311 2.1554 2.1554 2.1689 2.1689 2.2767 2.2767 2.3396 2.3396 7.3867 7.3867 12.1226 12.1226 12.1464 12.1464 13.0533 13.0533 k = 0.0784 0.0784-0.0000 ( 3413 PWs) bands (ev): -20.0330 -20.0330 -16.9612 -16.9612 -16.7028 -16.7028 -16.7016 -16.7016 -4.7099 -4.7099 -3.8542 -3.8542 -3.8461 -3.8461 -1.5252 -1.5252 -1.4940 -1.4940 -0.9172 -0.9172 -0.7985 -0.7985 -0.6710 -0.6710 0.5981 0.5981 0.6684 0.6684 0.9055 0.9055 2.1106 2.1106 2.1295 2.1295 2.1543 2.1543 2.1839 2.1839 2.2778 2.2778 2.3306 2.3306 7.3317 7.3317 12.1008 12.1008 12.1184 12.1184 13.0462 13.0462 k = 0.0686 0.0686-0.0000 ( 3427 PWs) bands (ev): -20.0336 -20.0336 -16.9630 -16.9630 -16.7025 -16.7025 -16.7016 -16.7016 -4.7100 -4.7100 -3.8536 -3.8536 -3.8474 -3.8474 -1.5130 -1.5130 -1.4895 -1.4895 -0.9134 -0.9134 -0.7567 -0.7567 -0.6509 -0.6509 0.5928 0.5928 0.6629 0.6629 0.8491 0.8491 2.1135 2.1135 2.1279 2.1279 2.1532 2.1532 2.1968 2.1968 2.2799 2.2799 2.3233 2.3233 7.2824 7.2824 12.0808 12.0808 12.0935 12.0935 13.0402 13.0402 k = 0.0588 0.0588-0.0000 ( 3419 PWs) bands (ev): -20.0342 -20.0342 -16.9645 -16.9645 -16.7022 -16.7022 -16.7015 -16.7015 -4.7102 -4.7102 -3.8532 -3.8532 -3.8485 -3.8485 -1.5025 -1.5025 -1.4854 -1.4854 -0.9100 -0.9100 -0.7166 -0.7166 -0.6329 -0.6329 0.5873 0.5873 0.6581 0.6581 0.7971 0.7971 2.1161 2.1161 2.1265 2.1265 2.1523 2.1523 2.2069 2.2069 2.2831 2.2831 2.3175 2.3175 7.2391 7.2391 12.0629 12.0629 12.0717 12.0717 13.0352 13.0352 k = 0.0490 0.0490-0.0000 ( 3413 PWs) bands (ev): -20.0347 -20.0347 -16.9658 -16.9658 -16.7019 -16.7019 -16.7015 -16.7015 -4.7104 -4.7104 -3.8527 -3.8527 -3.8495 -3.8495 -1.4937 -1.4937 -1.4821 -1.4821 -0.9071 -0.9071 -0.6794 -0.6794 -0.6173 -0.6173 0.5814 0.5814 0.6541 0.6541 0.7510 0.7510 2.1182 2.1182 2.1253 2.1253 2.1518 2.1518 2.2140 2.2140 2.2875 2.2875 2.3131 2.3131 7.2020 7.2020 12.0474 12.0474 12.0532 12.0532 13.0311 13.0311 k = 0.0392 0.0392-0.0000 ( 3413 PWs) bands (ev): -20.0350 -20.0350 -16.9669 -16.9669 -16.7017 -16.7017 -16.7014 -16.7014 -4.7106 -4.7106 -3.8524 -3.8524 -3.8503 -3.8503 -1.4867 -1.4867 -1.4794 -1.4794 -0.9048 -0.9048 -0.6465 -0.6465 -0.6043 -0.6043 0.5751 0.5751 0.6508 0.6508 0.7121 0.7121 2.1198 2.1198 2.1242 2.1242 2.1514 2.1514 2.2186 2.2186 2.2924 2.2924 2.3098 2.3098 7.1714 7.1714 12.0343 12.0343 12.0379 12.0379 13.0278 13.0278 k = 0.0294 0.0294-0.0000 ( 3413 PWs) bands (ev): -20.0353 -20.0353 -16.9677 -16.9677 -16.7016 -16.7016 -16.7014 -16.7014 -4.7107 -4.7107 -3.8522 -3.8522 -3.8510 -3.8510 -1.4814 -1.4814 -1.4773 -1.4773 -0.9030 -0.9030 -0.6190 -0.6190 -0.5941 -0.5941 0.5682 0.5682 0.6482 0.6482 0.6817 0.6817 2.1209 2.1209 2.1234 2.1234 2.1512 2.1512 2.2212 2.2212 2.2972 2.2972 2.3074 2.3074 7.1473 7.1473 12.0240 12.0240 12.0260 12.0260 13.0253 13.0253 k = 0.0196 0.0196-0.0000 ( 3409 PWs) bands (ev): -20.0356 -20.0356 -16.9683 -16.9683 -16.7015 -16.7015 -16.7014 -16.7014 -4.7108 -4.7108 -3.8520 -3.8520 -3.8514 -3.8514 -1.4776 -1.4776 -1.4758 -1.4758 -0.9017 -0.9017 -0.5981 -0.5981 -0.5867 -0.5867 0.5614 0.5614 0.6464 0.6464 0.6607 0.6607 2.1217 2.1217 2.1228 2.1228 2.1511 2.1511 2.2227 2.2227 2.3011 2.3011 2.3058 2.3058 7.1301 7.1301 12.0166 12.0166 12.0174 12.0174 13.0235 13.0235 k = 0.0098 0.0098-0.0000 ( 3407 PWs) bands (ev): -20.0357 -20.0357 -16.9686 -16.9686 -16.7014 -16.7014 -16.7014 -16.7014 -4.7108 -4.7108 -3.8519 -3.8519 -3.8517 -3.8517 -1.4753 -1.4753 -1.4749 -1.4749 -0.9009 -0.9009 -0.5851 -0.5851 -0.5822 -0.5822 0.5561 0.5561 0.6453 0.6453 0.6488 0.6488 2.1222 2.1222 2.1225 2.1225 2.1511 2.1511 2.2233 2.2233 2.3037 2.3037 2.3049 2.3049 7.1197 7.1197 12.0121 12.0121 12.0123 12.0123 13.0225 13.0225 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -20.0357 -20.0357 -16.9688 -16.9688 -16.7014 -16.7014 -16.7014 -16.7014 -4.7108 -4.7108 -3.8518 -3.8518 -3.8518 -3.8518 -1.4746 -1.4746 -1.4746 -1.4746 -0.9006 -0.9006 -0.5807 -0.5807 -0.5807 -0.5807 0.5541 0.5541 0.6450 0.6450 0.6450 0.6450 2.1224 2.1224 2.1224 2.1224 2.1511 2.1511 2.2235 2.2235 2.3046 2.3046 2.3046 2.3046 7.1162 7.1162 12.0106 12.0106 12.0106 12.0106 13.0221 13.0221 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -20.0357 -20.0357 -16.9688 -16.9688 -16.7014 -16.7014 -16.7014 -16.7014 -4.7108 -4.7108 -3.8518 -3.8518 -3.8518 -3.8518 -1.4746 -1.4746 -1.4746 -1.4746 -0.9006 -0.9006 -0.5807 -0.5807 -0.5807 -0.5807 0.5541 0.5541 0.6450 0.6450 0.6450 0.6450 2.1224 2.1224 2.1224 2.1224 2.1511 2.1511 2.2235 2.2235 2.3046 2.3046 2.3046 2.3046 7.1162 7.1162 12.0106 12.0106 12.0106 12.0106 13.0221 13.0221 k = 0.0081 0.0081 0.0081 ( 3407 PWs) bands (ev): -20.0357 -20.0357 -16.9686 -16.9686 -16.7014 -16.7014 -16.7014 -16.7014 -4.7108 -4.7108 -3.8519 -3.8519 -3.8517 -3.8517 -1.4751 -1.4751 -1.4751 -1.4751 -0.9009 -0.9009 -0.5837 -0.5837 -0.5837 -0.5837 0.5562 0.5562 0.6455 0.6455 0.6487 0.6487 2.1222 2.1222 2.1225 2.1225 2.1511 2.1511 2.2233 2.2233 2.3036 2.3036 2.3049 2.3049 7.1197 7.1197 12.0122 12.0122 12.0122 12.0122 13.0225 13.0225 k = 0.0161 0.0161 0.0161 ( 3410 PWs) bands (ev): -20.0356 -20.0356 -16.9683 -16.9683 -16.7014 -16.7014 -16.7014 -16.7014 -4.7108 -4.7108 -3.8520 -3.8520 -3.8514 -3.8514 -1.4768 -1.4768 -1.4767 -1.4767 -0.9017 -0.9017 -0.5926 -0.5926 -0.5926 -0.5926 0.5614 0.5614 0.6477 0.6477 0.6598 0.6598 2.1217 2.1217 2.1228 2.1228 2.1511 2.1511 2.2226 2.2226 2.3009 2.3009 2.3061 2.3061 7.1303 7.1303 12.0170 12.0170 12.0172 12.0172 13.0235 13.0235 k = 0.0242 0.0242 0.0242 ( 3410 PWs) bands (ev): -20.0353 -20.0353 -16.9677 -16.9677 -16.7015 -16.7015 -16.7015 -16.7015 -4.7107 -4.7107 -3.8522 -3.8522 -3.8509 -3.8509 -1.4795 -1.4795 -1.4793 -1.4793 -0.9030 -0.9030 -0.6071 -0.6071 -0.6070 -0.6070 0.5673 0.5673 0.6541 0.6541 0.6779 0.6779 2.1210 2.1210 2.1234 2.1234 2.1512 2.1512 2.2210 2.2210 2.2968 2.2968 2.3079 2.3079 7.1478 7.1478 12.0251 12.0251 12.0254 12.0254 13.0253 13.0253 k = 0.0323 0.0323 0.0323 ( 3413 PWs) bands (ev): -20.0350 -20.0350 -16.9668 -16.9668 -16.7016 -16.7016 -16.7016 -16.7016 -4.7106 -4.7106 -3.8525 -3.8525 -3.8503 -3.8503 -1.4833 -1.4833 -1.4830 -1.4830 -0.9049 -0.9049 -0.6265 -0.6265 -0.6264 -0.6264 0.5699 0.5699 0.6677 0.6677 0.7024 0.7024 2.1199 2.1199 2.1241 2.1241 2.1514 2.1514 2.2177 2.2177 2.2923 2.2923 2.3105 2.3105 7.1722 7.1722 12.0364 12.0364 12.0369 12.0369 13.0277 13.0277 k = 0.0403 0.0403 0.0403 ( 3413 PWs) bands (ev): -20.0346 -20.0346 -16.9657 -16.9657 -16.7018 -16.7018 -16.7017 -16.7017 -4.7104 -4.7104 -3.8529 -3.8529 -3.8494 -3.8494 -1.4883 -1.4883 -1.4878 -1.4878 -0.9073 -0.9073 -0.6504 -0.6504 -0.6500 -0.6500 0.5669 0.5669 0.6903 0.6903 0.7328 0.7328 2.1186 2.1186 2.1248 2.1248 2.1519 2.1519 2.2120 2.2120 2.2886 2.2886 2.3139 2.3139 7.2032 7.2032 12.0508 12.0508 12.0516 12.0516 13.0307 13.0307 k = 0.0484 0.0484 0.0484 ( 3425 PWs) bands (ev): -20.0342 -20.0342 -16.9644 -16.9644 -16.7019 -16.7019 -16.7018 -16.7018 -4.7102 -4.7102 -3.8533 -3.8533 -3.8484 -3.8484 -1.4946 -1.4946 -1.4937 -1.4937 -0.9103 -0.9103 -0.6779 -0.6779 -0.6772 -0.6772 0.5588 0.5588 0.7210 0.7210 0.7683 0.7683 2.1170 2.1170 2.1254 2.1254 2.1528 2.1528 2.2028 2.2028 2.2866 2.2866 2.3180 2.3180 7.2407 7.2407 12.0683 12.0683 12.0694 12.0694 13.0343 13.0343 k = 0.0565 0.0565 0.0565 ( 3431 PWs) bands (ev): -20.0336 -20.0336 -16.9629 -16.9629 -16.7021 -16.7021 -16.7019 -16.7019 -4.7101 -4.7101 -3.8539 -3.8539 -3.8472 -3.8472 -1.5020 -1.5020 -1.5009 -1.5009 -0.9137 -0.9137 -0.7084 -0.7084 -0.7073 -0.7073 0.5464 0.5464 0.7579 0.7579 0.8083 0.8083 2.1152 2.1152 2.1258 2.1258 2.1542 2.1542 2.1900 2.1900 2.2869 2.2869 2.3230 2.3230 7.2844 7.2844 12.0887 12.0887 12.0903 12.0903 13.0385 13.0385 k = 0.0645 0.0645 0.0645 ( 3431 PWs) bands (ev): -20.0330 -20.0330 -16.9610 -16.9610 -16.7023 -16.7023 -16.7021 -16.7021 -4.7099 -4.7099 -3.8546 -3.8546 -3.8458 -3.8458 -1.5107 -1.5107 -1.5091 -1.5091 -0.9177 -0.9177 -0.7411 -0.7411 -0.7395 -0.7395 0.5307 0.5307 0.7998 0.7998 0.8521 0.8521 2.1133 2.1133 2.1257 2.1257 2.1563 2.1563 2.1740 2.1740 2.2896 2.2896 2.3287 2.3287 7.3341 7.3341 12.1121 12.1121 12.1141 12.1141 13.0431 13.0431 k = 0.0726 0.0726 0.0726 ( 3425 PWs) bands (ev): -20.0323 -20.0323 -16.9590 -16.9590 -16.7026 -16.7026 -16.7023 -16.7023 -4.7098 -4.7098 -3.8554 -3.8554 -3.8444 -3.8444 -1.5207 -1.5207 -1.5186 -1.5186 -0.9223 -0.9223 -0.7754 -0.7754 -0.7733 -0.7733 0.5122 0.5122 0.8454 0.8454 0.8991 0.8991 2.1112 2.1112 2.1251 2.1251 2.1555 2.1555 2.1592 2.1592 2.2943 2.2943 2.3353 2.3353 7.3895 7.3895 12.1383 12.1383 12.1409 12.1409 13.0483 13.0483 k = 0.0806 0.0806 0.0806 ( 3425 PWs) bands (ev): -20.0315 -20.0315 -16.9567 -16.9567 -16.7028 -16.7028 -16.7025 -16.7025 -4.7097 -4.7097 -3.8564 -3.8564 -3.8428 -3.8428 -1.5322 -1.5322 -1.5293 -1.5293 -0.9274 -0.9274 -0.8108 -0.8108 -0.8081 -0.8081 0.4911 0.4911 0.8940 0.8940 0.9487 0.9487 2.1089 2.1089 2.1224 2.1224 2.1368 2.1368 2.1626 2.1626 2.3008 2.3008 2.3428 2.3428 7.4503 7.4503 12.1672 12.1672 12.1704 12.1704 13.0539 13.0539 k = 0.0887 0.0887 0.0887 ( 3443 PWs) bands (ev): -20.0306 -20.0306 -16.9542 -16.9542 -16.7032 -16.7032 -16.7027 -16.7027 -4.7096 -4.7096 -3.8575 -3.8575 -3.8412 -3.8412 -1.5453 -1.5453 -1.5414 -1.5414 -0.9332 -0.9332 -0.8471 -0.8471 -0.8436 -0.8436 0.4677 0.4677 0.9450 0.9450 1.0006 1.0006 2.1066 2.1066 2.1086 2.1086 2.1275 2.1275 2.1667 2.1667 2.3089 2.3089 2.3512 2.3512 7.5161 7.5161 12.1987 12.1987 12.2025 12.2025 13.0599 13.0599 k = 0.0968 0.0968 0.0968 ( 3437 PWs) bands (ev): -20.0297 -20.0297 -16.9514 -16.9514 -16.7035 -16.7035 -16.7029 -16.7029 -4.7096 -4.7096 -3.8588 -3.8588 -3.8396 -3.8396 -1.5597 -1.5597 -1.5548 -1.5548 -0.9395 -0.9395 -0.8834 -0.8834 -0.8792 -0.8792 0.4421 0.4421 0.9980 0.9980 1.0542 1.0542 2.0866 2.0866 2.1043 2.1043 2.1254 2.1254 2.1715 2.1715 2.3183 2.3183 2.3606 2.3606 7.5867 7.5867 12.2325 12.2325 12.2372 12.2372 13.0663 13.0663 k = 0.1048 0.1048 0.1048 ( 3443 PWs) bands (ev): -20.0287 -20.0287 -16.9484 -16.9484 -16.7038 -16.7038 -16.7032 -16.7032 -4.7097 -4.7097 -3.8602 -3.8602 -3.8379 -3.8379 -1.5758 -1.5758 -1.5697 -1.5697 -0.9465 -0.9465 -0.9196 -0.9196 -0.9145 -0.9145 0.4146 0.4146 1.0524 1.0524 1.1093 1.1093 2.0633 2.0633 2.1020 2.1020 2.1240 2.1240 2.1769 2.1769 2.3291 2.3291 2.3709 2.3709 7.6617 7.6617 12.2686 12.2686 12.2741 12.2741 13.0731 13.0731 k = 0.1129 0.1129 0.1129 ( 3449 PWs) bands (ev): -20.0277 -20.0277 -16.9452 -16.9452 -16.7042 -16.7042 -16.7034 -16.7034 -4.7099 -4.7099 -3.8619 -3.8619 -3.8362 -3.8362 -1.5934 -1.5934 -1.5861 -1.5861 -0.9560 -0.9560 -0.9553 -0.9553 -0.9475 -0.9475 0.3851 0.3851 1.1079 1.1079 1.1654 1.1654 2.0398 2.0398 2.0998 2.0998 2.1229 2.1229 2.1828 2.1828 2.3412 2.3412 2.3823 2.3823 7.7408 7.7408 12.3068 12.3068 12.3132 12.3132 13.0803 13.0803 k = 0.1210 0.1210 0.1210 ( 3443 PWs) bands (ev): -20.0266 -20.0266 -16.9417 -16.9417 -16.7046 -16.7046 -16.7037 -16.7037 -4.7102 -4.7102 -3.8637 -3.8637 -3.8346 -3.8346 -1.6126 -1.6126 -1.6040 -1.6040 -0.9900 -0.9900 -0.9854 -0.9854 -0.9604 -0.9604 0.3538 0.3538 1.1641 1.1641 1.2222 1.2222 2.0165 2.0165 2.0977 2.0977 2.1218 2.1218 2.1892 2.1892 2.3546 2.3546 2.3948 2.3948 7.8237 7.8237 12.3468 12.3468 12.3542 12.3542 13.0880 13.0880 k = 0.1290 0.1290 0.1290 ( 3425 PWs) bands (ev): -20.0255 -20.0255 -16.9380 -16.9380 -16.7049 -16.7049 -16.7040 -16.7040 -4.7106 -4.7106 -3.8658 -3.8658 -3.8330 -3.8330 -1.6332 -1.6332 -1.6233 -1.6233 -1.0237 -1.0237 -1.0187 -1.0187 -0.9690 -0.9690 0.3208 0.3208 1.2209 1.2209 1.2796 1.2796 1.9940 1.9940 2.0957 2.0957 2.1210 2.1210 2.1960 2.1960 2.3694 2.3694 2.4086 2.4086 7.9101 7.9101 12.3884 12.3884 12.3969 12.3969 13.0963 13.0963 k = 0.1371 0.1371 0.1371 ( 3431 PWs) bands (ev): -20.0243 -20.0243 -16.9341 -16.9341 -16.7054 -16.7054 -16.7043 -16.7043 -4.7112 -4.7112 -3.8680 -3.8680 -3.8316 -3.8316 -1.6556 -1.6556 -1.6443 -1.6443 -1.0562 -1.0562 -1.0514 -1.0514 -0.9779 -0.9779 0.2862 0.2862 1.2777 1.2777 1.3371 1.3371 1.9725 1.9725 2.0939 2.0939 2.1203 2.1203 2.2033 2.2033 2.3856 2.3856 2.4235 2.4235 7.9997 7.9997 12.4312 12.4312 12.4410 12.4410 13.1051 13.1051 k = 0.1452 0.1452 0.1452 ( 3431 PWs) bands (ev): -20.0231 -20.0231 -16.9299 -16.9299 -16.7058 -16.7058 -16.7046 -16.7046 -4.7120 -4.7120 -3.8706 -3.8706 -3.8304 -3.8304 -1.6794 -1.6794 -1.6668 -1.6668 -1.0873 -1.0873 -1.0831 -1.0831 -0.9872 -0.9872 0.2500 0.2500 1.3344 1.3344 1.3945 1.3945 1.9523 1.9523 2.0924 2.0924 2.1198 2.1198 2.2109 2.2109 2.4033 2.4033 2.4399 2.4399 8.0922 8.0922 12.4751 12.4751 12.4863 12.4863 13.1145 13.1145 k = 0.1532 0.1532 0.1532 ( 3428 PWs) bands (ev): -20.0219 -20.0219 -16.9256 -16.9256 -16.7062 -16.7062 -16.7049 -16.7049 -4.7130 -4.7130 -3.8733 -3.8733 -3.8294 -3.8294 -1.7046 -1.7046 -1.6909 -1.6909 -1.1169 -1.1169 -1.1137 -1.1137 -0.9969 -0.9969 0.2124 0.2124 1.3907 1.3907 1.4516 1.4516 1.9337 1.9337 2.0911 2.0911 2.1196 2.1196 2.2189 2.2189 2.4225 2.4225 2.4577 2.4577 8.1872 8.1872 12.5196 12.5196 12.5324 12.5324 13.1248 13.1248 k = 0.1613 0.1613 0.1613 ( 3440 PWs) bands (ev): -20.0206 -20.0206 -16.9210 -16.9210 -16.7067 -16.7067 -16.7053 -16.7053 -4.7142 -4.7142 -3.8764 -3.8764 -3.8286 -3.8286 -1.7311 -1.7311 -1.7164 -1.7164 -1.1450 -1.1450 -1.1432 -1.1432 -1.0071 -1.0071 0.1735 0.1735 1.4463 1.4463 1.5080 1.5080 1.9170 1.9170 2.0901 2.0901 2.1196 2.1196 2.2273 2.2273 2.4433 2.4433 2.4771 2.4771 8.2846 8.2846 12.5643 12.5643 12.5788 12.5788 13.1358 13.1358 k = 0.1694 0.1694 0.1694 ( 3440 PWs) bands (ev): -20.0194 -20.0194 -16.9162 -16.9162 -16.7072 -16.7072 -16.7056 -16.7056 -4.7156 -4.7156 -3.8797 -3.8797 -3.8281 -3.8281 -1.7588 -1.7588 -1.7432 -1.7432 -1.1716 -1.1716 -1.1713 -1.1713 -1.0175 -1.0175 0.1335 0.1335 1.5010 1.5010 1.5637 1.5637 1.9022 1.9022 2.0894 2.0894 2.1200 2.1200 2.2359 2.2359 2.4659 2.4659 2.4982 2.4982 8.3841 8.3841 12.6087 12.6087 12.6251 12.6251 13.1479 13.1479 k = 0.1774 0.1774 0.1774 ( 3428 PWs) bands (ev): -20.0181 -20.0181 -16.9112 -16.9112 -16.7077 -16.7077 -16.7059 -16.7059 -4.7172 -4.7172 -3.8833 -3.8833 -3.8280 -3.8280 -1.7873 -1.7873 -1.7711 -1.7711 -1.1987 -1.1987 -1.1960 -1.1960 -1.0282 -1.0282 0.0923 0.0923 1.5543 1.5543 1.6182 1.6182 1.8898 1.8898 2.0890 2.0890 2.1208 2.1208 2.2449 2.2449 2.4903 2.4903 2.5211 2.5211 8.4853 8.4853 12.6521 12.6521 12.6708 12.6708 13.1610 13.1610 k = 0.1855 0.1855 0.1855 ( 3431 PWs) bands (ev): -20.0168 -20.0168 -16.9061 -16.9061 -16.7081 -16.7081 -16.7063 -16.7063 -4.7192 -4.7192 -3.8872 -3.8872 -3.8284 -3.8284 -1.8169 -1.8169 -1.8001 -1.8001 -1.2248 -1.2248 -1.2193 -1.2193 -1.0391 -1.0391 0.0501 0.0501 1.6059 1.6059 1.6715 1.6715 1.8798 1.8798 2.0891 2.0891 2.1219 2.1219 2.2541 2.2541 2.5166 2.5166 2.5460 2.5460 8.5880 8.5880 12.6938 12.6938 12.7151 12.7151 13.1752 13.1752 k = 0.1935 0.1935 0.1935 ( 3431 PWs) bands (ev): -20.0154 -20.0154 -16.9007 -16.9007 -16.7086 -16.7086 -16.7066 -16.7066 -4.7214 -4.7214 -3.8913 -3.8913 -3.8291 -3.8291 -1.8471 -1.8471 -1.8301 -1.8301 -1.2497 -1.2497 -1.2410 -1.2410 -1.0502 -1.0502 0.0071 0.0071 1.6553 1.6553 1.7231 1.7231 1.8727 1.8727 2.0895 2.0895 2.1235 2.1235 2.2635 2.2635 2.5449 2.5449 2.5728 2.5728 8.6920 8.6920 12.7329 12.7329 12.7571 12.7571 13.1907 13.1907 k = 0.2016 0.2016 0.2016 ( 3428 PWs) bands (ev): -20.0141 -20.0141 -16.8952 -16.8952 -16.7091 -16.7091 -16.7070 -16.7070 -4.7238 -4.7238 -3.8958 -3.8958 -3.8304 -3.8304 -1.8778 -1.8778 -1.8607 -1.8607 -1.2736 -1.2736 -1.2613 -1.2613 -1.0615 -1.0615 -0.0366 -0.0366 1.7018 1.7018 1.7731 1.7731 1.8690 1.8690 2.0904 2.0904 2.1255 2.1255 2.2731 2.2731 2.5753 2.5753 2.6018 2.6018 8.7970 8.7970 12.7684 12.7684 12.7960 12.7960 13.2075 13.2075 k = 0.2097 0.2097 0.2097 ( 3431 PWs) bands (ev): -20.0128 -20.0128 -16.8896 -16.8896 -16.7097 -16.7097 -16.7073 -16.7073 -4.7266 -4.7266 -3.9006 -3.9006 -3.8322 -3.8322 -1.9089 -1.9089 -1.8919 -1.8919 -1.2964 -1.2964 -1.2803 -1.2803 -1.0728 -1.0728 -0.0810 -0.0810 1.7441 1.7441 1.8210 1.8210 1.8699 1.8699 2.0917 2.0917 2.1280 2.1280 2.2830 2.2830 2.6078 2.6078 2.6330 2.6330 8.9027 8.9027 12.7990 12.7990 12.8306 12.8306 13.2258 13.2258 k = 0.2177 0.2177 0.2177 ( 3437 PWs) bands (ev): -20.0115 -20.0115 -16.8837 -16.8837 -16.7102 -16.7102 -16.7077 -16.7077 -4.7297 -4.7297 -3.9056 -3.9056 -3.8346 -3.8346 -1.9402 -1.9402 -1.9236 -1.9236 -1.3181 -1.3181 -1.2981 -1.2981 -1.0842 -1.0842 -0.1258 -0.1258 1.7796 1.7796 1.8667 1.8667 1.8775 1.8775 2.0935 2.0935 2.1309 2.1309 2.2929 2.2929 2.6425 2.6425 2.6664 2.6664 9.0089 9.0089 12.8234 12.8234 12.8595 12.8595 13.2455 13.2455 k = 0.2258 0.2258 0.2258 ( 3437 PWs) bands (ev): -20.0103 -20.0103 -16.8778 -16.8778 -16.7107 -16.7107 -16.7081 -16.7081 -4.7330 -4.7330 -3.9109 -3.9109 -3.8375 -3.8375 -1.9716 -1.9716 -1.9554 -1.9554 -1.3387 -1.3387 -1.3147 -1.3147 -1.0954 -1.0954 -0.1710 -0.1710 1.8053 1.8053 1.8947 1.8947 1.9102 1.9102 2.0958 2.0958 2.1345 2.1345 2.3031 2.3031 2.6793 2.6793 2.7021 2.7021 9.1153 9.1153 12.8402 12.8402 12.8813 12.8813 13.2667 13.2667 k = 0.2339 0.2339 0.2339 ( 3437 PWs) bands (ev): -20.0090 -20.0090 -16.8717 -16.8717 -16.7112 -16.7112 -16.7084 -16.7084 -4.7367 -4.7367 -3.9165 -3.9165 -3.8412 -3.8412 -2.0030 -2.0030 -1.9874 -1.9874 -1.3583 -1.3583 -1.3303 -1.3303 -1.1066 -1.1066 -0.2164 -0.2164 1.8216 1.8216 1.9211 1.9211 1.9512 1.9512 2.0988 2.0988 2.1386 2.1386 2.3133 2.3133 2.7183 2.7183 2.7400 2.7400 9.2218 9.2218 12.8482 12.8482 12.8949 12.8949 13.2895 13.2895 k = 0.2419 0.2419 0.2419 ( 3443 PWs) bands (ev): -20.0077 -20.0077 -16.8655 -16.8655 -16.7117 -16.7117 -16.7088 -16.7088 -4.7407 -4.7407 -3.9224 -3.9224 -3.8455 -3.8455 -2.0343 -2.0343 -2.0192 -2.0192 -1.3768 -1.3768 -1.3449 -1.3449 -1.1176 -1.1176 -0.2619 -0.2619 1.8327 1.8327 1.9521 1.9521 1.9894 1.9894 2.1026 2.1026 2.1434 2.1434 2.3236 2.3236 2.7592 2.7592 2.7800 2.7800 9.3280 9.3280 12.8465 12.8465 12.8990 12.8990 13.3137 13.3137 k = 0.2500 0.2500 0.2500 ( 3425 PWs) bands (ev): -20.0065 -20.0065 -16.8592 -16.8592 -16.7122 -16.7122 -16.7091 -16.7091 -4.7449 -4.7449 -3.9285 -3.9285 -3.8504 -3.8504 -2.0651 -2.0651 -2.0508 -2.0508 -1.3941 -1.3941 -1.3585 -1.3585 -1.1284 -1.1284 -0.3073 -0.3073 1.8422 1.8422 1.9840 1.9840 2.0246 2.0246 2.1078 2.1078 2.1491 2.1491 2.3340 2.3340 2.8020 2.8020 2.8219 2.8219 9.4338 9.4338 12.8346 12.8346 12.8930 12.8930 13.3395 13.3395 k = 0.2581 0.2581 0.2581 ( 3431 PWs) bands (ev): -20.0053 -20.0053 -16.8528 -16.8528 -16.7127 -16.7127 -16.7095 -16.7095 -4.7495 -4.7495 -3.9349 -3.9349 -3.8561 -3.8561 -2.0958 -2.0958 -2.0822 -2.0822 -1.4104 -1.4104 -1.3714 -1.3714 -1.1390 -1.1390 -0.3525 -0.3525 1.8516 1.8516 2.0148 2.0148 2.0552 2.0552 2.1155 2.1155 2.1559 2.1559 2.3444 2.3444 2.8465 2.8465 2.8656 2.8656 9.5388 9.5388 12.8127 12.8127 12.8769 12.8769 13.3666 13.3666 k = 0.2661 0.2661 0.2661 ( 3437 PWs) bands (ev): -20.0041 -20.0041 -16.8464 -16.8464 -16.7132 -16.7132 -16.7098 -16.7098 -4.7543 -4.7543 -3.9415 -3.9415 -3.8625 -3.8625 -2.1260 -2.1260 -2.1132 -2.1132 -1.4256 -1.4256 -1.3835 -1.3835 -1.1493 -1.1493 -0.3974 -0.3974 1.8618 1.8618 2.0434 2.0434 2.0789 2.0789 2.1286 2.1286 2.1640 2.1640 2.3548 2.3548 2.8925 2.8925 2.9108 2.9108 9.6429 9.6429 12.7815 12.7815 12.8511 12.8511 13.3950 13.3950 k = 0.2742 0.2742 0.2742 ( 3434 PWs) bands (ev): -20.0030 -20.0030 -16.8399 -16.8399 -16.7136 -16.7136 -16.7101 -16.7101 -4.7594 -4.7594 -3.9483 -3.9483 -3.8695 -3.8695 -2.1555 -2.1555 -2.1435 -2.1435 -1.4396 -1.4396 -1.3949 -1.3949 -1.1593 -1.1593 -0.4419 -0.4419 1.8728 1.8728 2.0691 2.0691 2.0938 2.0938 2.1488 2.1488 2.1740 2.1740 2.3652 2.3652 2.9398 2.9398 2.9574 2.9574 9.7459 9.7459 12.7420 12.7420 12.8166 12.8166 13.4245 13.4245 k = 0.2823 0.2823 0.2823 ( 3440 PWs) bands (ev): -20.0019 -20.0019 -16.8334 -16.8334 -16.7141 -16.7141 -16.7105 -16.7105 -4.7647 -4.7647 -3.9552 -3.9552 -3.8772 -3.8772 -2.1845 -2.1845 -2.1734 -2.1734 -1.4526 -1.4526 -1.4056 -1.4056 -1.1690 -1.1690 -0.4858 -0.4858 1.8848 1.8848 2.0913 2.0913 2.1029 2.1029 2.1732 2.1732 2.1862 2.1862 2.3755 2.3755 2.9881 2.9881 3.0051 3.0051 9.8474 9.8474 12.6955 12.6955 12.7746 12.7746 13.4546 13.4546 k = 0.2903 0.2903 0.2903 ( 3437 PWs) bands (ev): -20.0008 -20.0008 -16.8269 -16.8269 -16.7146 -16.7146 -16.7108 -16.7108 -4.7703 -4.7703 -3.9623 -3.9623 -3.8855 -3.8855 -2.2129 -2.2129 -2.2026 -2.2026 -1.4643 -1.4643 -1.4156 -1.4156 -1.1782 -1.1782 -0.5290 -0.5290 1.8977 1.8977 2.1095 2.1095 2.1097 2.1097 2.1988 2.1988 2.2011 2.2011 2.3858 2.3858 3.0372 3.0372 3.0535 3.0535 9.9474 9.9474 12.6434 12.6434 12.7264 12.7264 13.4851 13.4851 k = 0.2984 0.2984 0.2984 ( 3437 PWs) bands (ev): -19.9998 -19.9998 -16.8203 -16.8203 -16.7150 -16.7150 -16.7111 -16.7111 -4.7761 -4.7761 -3.9696 -3.9696 -3.8944 -3.8944 -2.2405 -2.2405 -2.2310 -2.2310 -1.4749 -1.4749 -1.4250 -1.4250 -1.1871 -1.1871 -0.5715 -0.5715 1.9115 1.9115 2.1151 2.1151 2.1246 2.1246 2.2183 2.2183 2.2240 2.2240 2.3959 2.3959 3.0868 3.0868 3.1025 3.1025 10.0455 10.0455 12.5867 12.5867 12.6731 12.6731 13.5153 13.5153 k = 0.3065 0.3065 0.3065 ( 3428 PWs) bands (ev): -19.9988 -19.9988 -16.8139 -16.8139 -16.7155 -16.7155 -16.7114 -16.7114 -4.7820 -4.7820 -3.9769 -3.9769 -3.9039 -3.9039 -2.2672 -2.2672 -2.2586 -2.2586 -1.4843 -1.4843 -1.4339 -1.4339 -1.1955 -1.1955 -0.6131 -0.6131 1.9261 1.9261 2.1203 2.1203 2.1366 2.1366 2.2371 2.2371 2.2485 2.2485 2.4060 2.4060 3.1367 3.1367 3.1518 3.1518 10.1417 10.1417 12.5266 12.5266 12.6160 12.6160 13.5443 13.5443 k = 0.3145 0.3145 0.3145 ( 3428 PWs) bands (ev): -19.9979 -19.9979 -16.8074 -16.8074 -16.7159 -16.7159 -16.7117 -16.7117 -4.7881 -4.7881 -3.9843 -3.9843 -3.9138 -3.9138 -2.2933 -2.2933 -2.2854 -2.2854 -1.4926 -1.4926 -1.4422 -1.4422 -1.2036 -1.2036 -0.6537 -0.6537 1.9413 1.9413 2.1253 2.1253 2.1466 2.1466 2.2569 2.2569 2.2720 2.2720 2.4158 2.4158 3.1867 3.1867 3.2010 3.2010 10.2356 10.2356 12.4640 12.4640 12.5561 12.5561 13.5711 13.5711 k = 0.3226 0.3226 0.3226 ( 3422 PWs) bands (ev): -19.9969 -19.9969 -16.8011 -16.8011 -16.7163 -16.7163 -16.7120 -16.7120 -4.7944 -4.7944 -3.9917 -3.9917 -3.9241 -3.9241 -2.3184 -2.3184 -2.3113 -2.3113 -1.4999 -1.4999 -1.4500 -1.4500 -1.2111 -1.2111 -0.6932 -0.6932 1.9570 1.9570 2.1301 2.1301 2.1553 2.1553 2.2770 2.2770 2.2946 2.2946 2.4255 2.4255 3.2364 3.2364 3.2500 3.2500 10.3273 10.3273 12.3997 12.3997 12.4943 12.4943 13.5941 13.5941 k = 0.3306 0.3306 0.3306 ( 3404 PWs) bands (ev): -19.9961 -19.9961 -16.7948 -16.7948 -16.7167 -16.7167 -16.7122 -16.7122 -4.8007 -4.8007 -3.9991 -3.9991 -3.9348 -3.9348 -2.3425 -2.3425 -2.3361 -2.3361 -1.5060 -1.5060 -1.4572 -1.4572 -1.2182 -1.2182 -0.7315 -0.7315 1.9731 1.9731 2.1349 2.1349 2.1630 2.1630 2.2969 2.2969 2.3162 2.3162 2.4350 2.4350 3.2858 3.2858 3.2987 3.2987 10.4164 10.4164 12.3346 12.3346 12.4312 12.4312 13.6112 13.6112 k = 0.3387 0.3387 0.3387 ( 3410 PWs) bands (ev): -19.9953 -19.9953 -16.7887 -16.7887 -16.7171 -16.7171 -16.7125 -16.7125 -4.8071 -4.8071 -4.0065 -4.0065 -3.9457 -3.9457 -2.3659 -2.3659 -2.3601 -2.3601 -1.5114 -1.5114 -1.4640 -1.4640 -1.2249 -1.2249 -0.7686 -0.7686 1.9893 1.9893 2.1396 2.1396 2.1701 2.1701 2.3165 2.3165 2.3369 2.3369 2.4443 2.4443 3.3344 3.3344 3.3466 3.3466 10.5029 10.5029 12.2692 12.2692 12.3676 12.3676 13.6200 13.6200 k = 0.3468 0.3468 0.3468 ( 3410 PWs) bands (ev): -19.9945 -19.9945 -16.7827 -16.7827 -16.7174 -16.7174 -16.7128 -16.7128 -4.8136 -4.8136 -4.0138 -4.0138 -3.9568 -3.9568 -2.3882 -2.3882 -2.3831 -2.3831 -1.5157 -1.5157 -1.4705 -1.4705 -1.2312 -1.2312 -0.8043 -0.8043 2.0058 2.0058 2.1442 2.1442 2.1767 2.1767 2.3354 2.3354 2.3567 2.3567 2.4533 2.4533 3.3822 3.3822 3.3936 3.3936 10.5866 10.5866 12.2041 12.2041 12.3041 12.3041 13.6177 13.6177 k = 0.3548 0.3548 0.3548 ( 3419 PWs) bands (ev): -19.9937 -19.9937 -16.7768 -16.7768 -16.7177 -16.7177 -16.7130 -16.7130 -4.8200 -4.8200 -4.0210 -4.0210 -3.9680 -3.9680 -2.4096 -2.4096 -2.4051 -2.4051 -1.5194 -1.5194 -1.4764 -1.4764 -1.2370 -1.2370 -0.8387 -0.8387 2.0221 2.0221 2.1487 2.1487 2.1830 2.1830 2.3537 2.3537 2.3757 2.3757 2.4621 2.4621 3.4289 3.4289 3.4395 3.4395 10.6675 10.6675 12.1398 12.1398 12.2412 12.2412 13.6021 13.6021 k = 0.3629 0.3629 0.3629 ( 3419 PWs) bands (ev): -19.9931 -19.9931 -16.7712 -16.7712 -16.7181 -16.7181 -16.7132 -16.7132 -4.8264 -4.8264 -4.0280 -4.0280 -3.9793 -3.9793 -2.4299 -2.4299 -2.4260 -2.4260 -1.5222 -1.5222 -1.4819 -1.4819 -1.2423 -1.2423 -0.8715 -0.8715 2.0383 2.0383 2.1531 2.1531 2.1889 2.1889 2.3713 2.3713 2.3937 2.3937 2.4705 2.4705 3.4744 3.4744 3.4841 3.4841 10.7455 10.7455 12.0767 12.0767 12.1793 12.1793 13.5722 13.5722 k = 0.3710 0.3710 0.3710 ( 3419 PWs) bands (ev): -19.9924 -19.9924 -16.7657 -16.7657 -16.7183 -16.7183 -16.7134 -16.7134 -4.8327 -4.8327 -4.0349 -4.0349 -3.9904 -3.9904 -2.4491 -2.4491 -2.4458 -2.4458 -1.5244 -1.5244 -1.4871 -1.4871 -1.2471 -1.2471 -0.9028 -0.9028 2.0543 2.0543 2.1573 2.1573 2.1946 2.1946 2.3881 2.3881 2.4109 2.4109 2.4787 2.4787 3.5185 3.5185 3.5273 3.5273 10.8204 10.8204 12.0153 12.0153 12.1189 12.1189 13.5286 13.5286 k = 0.3790 0.3790 0.3790 ( 3419 PWs) bands (ev): -19.9918 -19.9918 -16.7605 -16.7605 -16.7186 -16.7186 -16.7136 -16.7136 -4.8389 -4.8389 -4.0416 -4.0416 -4.0014 -4.0014 -2.4673 -2.4673 -2.4644 -2.4644 -1.5259 -1.5259 -1.4918 -1.4918 -1.2516 -1.2516 -0.9325 -0.9325 2.0699 2.0699 2.1614 2.1614 2.2001 2.2001 2.4040 2.4040 2.4272 2.4272 2.4865 2.4865 3.5609 3.5609 3.5689 3.5689 10.8922 10.8922 11.9559 11.9559 12.0603 12.0603 13.4736 13.4736 k = 0.3871 0.3871 0.3871 ( 3425 PWs) bands (ev): -19.9912 -19.9912 -16.7555 -16.7555 -16.7188 -16.7188 -16.7138 -16.7138 -4.8449 -4.8449 -4.0480 -4.0480 -4.0121 -4.0121 -2.4845 -2.4845 -2.4820 -2.4820 -1.5270 -1.5270 -1.4962 -1.4962 -1.2556 -1.2556 -0.9605 -0.9605 2.0849 2.0849 2.1653 2.1653 2.2054 2.2054 2.4190 2.4190 2.4426 2.4426 2.4940 2.4940 3.6014 3.6014 3.6086 3.6086 10.9608 10.9608 11.8990 11.8990 12.0039 12.0039 13.4103 13.4103 k = 0.3952 0.3952 0.3952 ( 3434 PWs) bands (ev): -19.9907 -19.9907 -16.7508 -16.7508 -16.7190 -16.7190 -16.7140 -16.7140 -4.8507 -4.8507 -4.0541 -4.0541 -4.0224 -4.0224 -2.5005 -2.5005 -2.4984 -2.4984 -1.5276 -1.5276 -1.5002 -1.5002 -1.2592 -1.2592 -0.9868 -0.9868 2.0993 2.0993 2.1691 2.1691 2.2104 2.2104 2.4331 2.4331 2.4572 2.4572 2.5011 2.5011 3.6400 3.6400 3.6464 3.6464 11.0262 11.0262 11.8449 11.8449 11.9500 11.9500 13.3415 13.3415 k = 0.4032 0.4032 0.4032 ( 3436 PWs) bands (ev): -19.9902 -19.9902 -16.7464 -16.7464 -16.7192 -16.7192 -16.7142 -16.7142 -4.8562 -4.8562 -4.0600 -4.0600 -4.0324 -4.0324 -2.5154 -2.5154 -2.5137 -2.5137 -1.5279 -1.5279 -1.5039 -1.5039 -1.2624 -1.2624 -1.0113 -1.0113 2.1129 2.1129 2.1726 2.1726 2.2152 2.2152 2.4463 2.4463 2.4708 2.4708 2.5079 2.5079 3.6765 3.6765 3.6821 3.6821 11.0881 11.0881 11.7939 11.7939 11.8989 11.8989 13.2701 13.2701 k = 0.4113 0.4113 0.4113 ( 3436 PWs) bands (ev): -19.9898 -19.9898 -16.7423 -16.7423 -16.7193 -16.7193 -16.7143 -16.7143 -4.8615 -4.8615 -4.0654 -4.0654 -4.0418 -4.0418 -2.5292 -2.5292 -2.5277 -2.5277 -1.5279 -1.5279 -1.5071 -1.5071 -1.2652 -1.2652 -1.0340 -1.0340 2.1257 2.1257 2.1759 2.1759 2.2198 2.2198 2.4585 2.4585 2.4834 2.4834 2.5142 2.5142 3.7107 3.7107 3.7155 3.7155 11.1464 11.1464 11.7464 11.7464 11.8509 11.8509 13.1980 13.1980 k = 0.4194 0.4194 0.4194 ( 3436 PWs) bands (ev): -19.9894 -19.9894 -16.7385 -16.7385 -16.7193 -16.7193 -16.7145 -16.7145 -4.8665 -4.8665 -4.0705 -4.0705 -4.0507 -4.0507 -2.5418 -2.5418 -2.5406 -2.5406 -1.5276 -1.5276 -1.5101 -1.5101 -1.2676 -1.2676 -1.0548 -1.0548 2.1376 2.1376 2.1790 2.1790 2.2242 2.2242 2.4696 2.4696 2.4951 2.4951 2.5202 2.5202 3.7425 3.7425 3.7465 3.7465 11.2009 11.2009 11.7029 11.7029 11.8062 11.8062 13.1269 13.1269 k = 0.4274 0.4274 0.4274 ( 3436 PWs) bands (ev): -19.9891 -19.9891 -16.7352 -16.7352 -16.7193 -16.7193 -16.7146 -16.7146 -4.8711 -4.8711 -4.0752 -4.0752 -4.0589 -4.0589 -2.5532 -2.5532 -2.5523 -2.5523 -1.5273 -1.5273 -1.5128 -1.5128 -1.2698 -1.2698 -1.0738 -1.0738 2.1484 2.1484 2.1818 2.1818 2.2284 2.2284 2.4796 2.4796 2.5058 2.5058 2.5258 2.5258 3.7717 3.7717 3.7751 3.7751 11.2511 11.2511 11.6638 11.6638 11.7650 11.7650 13.0582 13.0582 k = 0.4355 0.4355 0.4355 ( 3430 PWs) bands (ev): -19.9887 -19.9887 -16.7323 -16.7323 -16.7191 -16.7191 -16.7147 -16.7147 -4.8753 -4.8753 -4.0795 -4.0795 -4.0665 -4.0665 -2.5634 -2.5634 -2.5627 -2.5627 -1.5268 -1.5268 -1.5151 -1.5151 -1.2715 -1.2715 -1.0908 -1.0908 2.1582 2.1582 2.1844 2.1844 2.2324 2.2324 2.4886 2.4886 2.5154 2.5154 2.5310 2.5310 3.7982 3.7982 3.8009 3.8009 11.2964 11.2964 11.6298 11.6298 11.7276 11.7276 12.9931 12.9931 k = 0.4435 0.4435 0.4435 ( 3436 PWs) bands (ev): -19.9885 -19.9885 -16.7298 -16.7298 -16.7188 -16.7188 -16.7148 -16.7148 -4.8791 -4.8791 -4.0833 -4.0833 -4.0732 -4.0732 -2.5725 -2.5725 -2.5720 -2.5720 -1.5262 -1.5262 -1.5172 -1.5172 -1.2731 -1.2731 -1.1058 -1.1058 2.1668 2.1668 2.1866 2.1866 2.2360 2.2360 2.4965 2.4965 2.5240 2.5240 2.5357 2.5357 3.8219 3.8219 3.8240 3.8240 11.3359 11.3359 11.6018 11.6018 11.6941 11.6941 12.9324 12.9324 k = 0.4516 0.4516 0.4516 ( 3430 PWs) bands (ev): -19.9882 -19.9882 -16.7279 -16.7279 -16.7183 -16.7183 -16.7149 -16.7149 -4.8825 -4.8825 -4.0867 -4.0867 -4.0792 -4.0792 -2.5804 -2.5804 -2.5800 -2.5800 -1.5257 -1.5257 -1.5189 -1.5189 -1.2743 -1.2743 -1.1189 -1.1189 2.1742 2.1742 2.1887 2.1887 2.2394 2.2394 2.5032 2.5032 2.5315 2.5315 2.5399 2.5399 3.8427 3.8427 3.8442 3.8442 11.3680 11.3680 11.5809 11.5809 11.6648 11.6648 12.8772 12.8772 k = 0.4597 0.4597 0.4597 ( 3424 PWs) bands (ev): -19.9880 -19.9880 -16.7265 -16.7265 -16.7177 -16.7177 -16.7150 -16.7150 -4.8854 -4.8854 -4.0896 -4.0896 -4.0843 -4.0843 -2.5870 -2.5870 -2.5868 -2.5868 -1.5251 -1.5251 -1.5204 -1.5204 -1.2754 -1.2754 -1.1300 -1.1300 2.1805 2.1805 2.1904 2.1904 2.2424 2.2424 2.5088 2.5088 2.5379 2.5379 2.5436 2.5436 3.8604 3.8604 3.8615 3.8615 11.3911 11.3911 11.5686 11.5686 11.6397 11.6397 12.8283 12.8283 k = 0.4677 0.4677 0.4677 ( 3433 PWs) bands (ev): -19.9878 -19.9878 -16.7255 -16.7255 -16.7170 -16.7170 -16.7150 -16.7150 -4.8878 -4.8878 -4.0920 -4.0920 -4.0886 -4.0886 -2.5925 -2.5925 -2.5924 -2.5924 -1.5247 -1.5247 -1.5217 -1.5217 -1.2762 -1.2762 -1.1391 -1.1391 2.1855 2.1855 2.1917 2.1917 2.2450 2.2450 2.5134 2.5134 2.5432 2.5432 2.5468 2.5468 3.8750 3.8750 3.8757 3.8757 11.4044 11.4044 11.5653 11.5653 11.6190 11.6190 12.7866 12.7866 k = 0.4758 0.4758 0.4758 ( 3448 PWs) bands (ev): -19.9877 -19.9877 -16.7249 -16.7249 -16.7162 -16.7162 -16.7151 -16.7151 -4.8897 -4.8897 -4.0938 -4.0938 -4.0919 -4.0919 -2.5968 -2.5968 -2.5968 -2.5968 -1.5244 -1.5244 -1.5227 -1.5227 -1.2769 -1.2769 -1.1462 -1.1462 2.1893 2.1893 2.1928 2.1928 2.2471 2.2471 2.5168 2.5168 2.5473 2.5473 2.5493 2.5493 3.8864 3.8864 3.8868 3.8868 11.4095 11.4095 11.5687 11.5687 11.6028 11.6028 12.7530 12.7530 k = 0.4839 0.4839 0.4839 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7245 -16.7245 -16.7157 -16.7157 -16.7151 -16.7151 -4.8910 -4.8910 -4.0952 -4.0952 -4.0943 -4.0943 -2.5999 -2.5999 -2.5999 -2.5999 -1.5241 -1.5241 -1.5233 -1.5233 -1.2774 -1.2774 -1.1513 -1.1513 2.1921 2.1921 2.1936 2.1936 2.2486 2.2486 2.5193 2.5193 2.5502 2.5502 2.5511 2.5511 3.8946 3.8946 3.8948 3.8948 11.4101 11.4101 11.5748 11.5748 11.5911 11.5911 12.7282 12.7282 k = 0.4919 0.4919 0.4919 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7244 -16.7244 -16.7153 -16.7153 -16.7151 -16.7151 -4.8919 -4.8919 -4.0960 -4.0960 -4.0958 -4.0958 -2.6017 -2.6017 -2.6017 -2.6017 -1.5239 -1.5239 -1.5237 -1.5237 -1.2776 -1.2776 -1.1543 -1.1543 2.1937 2.1937 2.1941 2.1941 2.2496 2.2496 2.5208 2.5208 2.5520 2.5520 2.5522 2.5522 3.8996 3.8996 3.8996 3.8996 11.4092 11.4092 11.5798 11.5798 11.5841 11.5841 12.7131 12.7131 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7243 -16.7243 -16.7151 -16.7151 -16.7151 -16.7151 -4.8921 -4.8921 -4.0962 -4.0962 -4.0962 -4.0962 -2.6023 -2.6023 -2.6023 -2.6023 -1.5239 -1.5239 -1.5239 -1.5239 -1.2777 -1.2777 -1.1553 -1.1553 2.1942 2.1942 2.1942 2.1942 2.2499 2.2499 2.5213 2.5213 2.5526 2.5526 2.5526 2.5526 3.9012 3.9012 3.9012 3.9012 11.4088 11.4088 11.5818 11.5818 11.5818 11.5818 12.7080 12.7080 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7243 -16.7243 -16.7151 -16.7151 -16.7151 -16.7151 -4.8921 -4.8921 -4.0962 -4.0962 -4.0962 -4.0962 -2.6023 -2.6023 -2.6023 -2.6023 -1.5239 -1.5239 -1.5239 -1.5239 -1.2777 -1.2777 -1.1553 -1.1553 2.1942 2.1942 2.1942 2.1942 2.2499 2.2499 2.5213 2.5213 2.5526 2.5526 2.5526 2.5526 3.9012 3.9012 3.9012 3.9012 11.4088 11.4088 11.5818 11.5818 11.5818 11.5818 12.7080 12.7080 k = 0.4902 0.5000 0.4902 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7244 -16.7244 -16.7153 -16.7153 -16.7151 -16.7151 -4.8919 -4.8919 -4.0960 -4.0960 -4.0958 -4.0958 -2.6020 -2.6020 -2.6014 -2.6014 -1.5239 -1.5239 -1.5237 -1.5237 -1.2776 -1.2776 -1.1543 -1.1543 2.1937 2.1937 2.1940 2.1940 2.2496 2.2496 2.5208 2.5208 2.5520 2.5520 2.5523 2.5523 3.8988 3.8988 3.9004 3.9004 11.4092 11.4092 11.5799 11.5799 11.5840 11.5840 12.7130 12.7130 k = 0.4804 0.5000 0.4804 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7245 -16.7245 -16.7156 -16.7156 -16.7151 -16.7151 -4.8911 -4.8911 -4.0952 -4.0952 -4.0943 -4.0943 -2.6012 -2.6012 -2.5987 -2.5987 -1.5242 -1.5242 -1.5232 -1.5232 -1.2774 -1.2774 -1.1513 -1.1513 2.1922 2.1922 2.1935 2.1935 2.2487 2.2487 2.5193 2.5193 2.5501 2.5501 2.5513 2.5513 3.8916 3.8916 3.8980 3.8980 11.4101 11.4101 11.5750 11.5750 11.5908 11.5908 12.7279 12.7279 k = 0.4706 0.5000 0.4706 ( 3448 PWs) bands (ev): -19.9877 -19.9877 -16.7249 -16.7249 -16.7162 -16.7162 -16.7151 -16.7151 -4.8897 -4.8897 -4.0939 -4.0939 -4.0919 -4.0919 -2.5997 -2.5997 -2.5941 -2.5941 -1.5245 -1.5245 -1.5225 -1.5225 -1.2769 -1.2769 -1.1463 -1.1463 2.1896 2.1896 2.1927 2.1927 2.2471 2.2471 2.5169 2.5169 2.5470 2.5470 2.5497 2.5497 3.8796 3.8796 3.8940 3.8940 11.4099 11.4099 11.5691 11.5691 11.6019 11.6019 12.7523 12.7523 k = 0.4608 0.5000 0.4608 ( 3438 PWs) bands (ev): -19.9878 -19.9878 -16.7254 -16.7254 -16.7169 -16.7169 -16.7151 -16.7151 -4.8879 -4.8879 -4.0921 -4.0921 -4.0886 -4.0886 -2.5976 -2.5976 -2.5877 -2.5877 -1.5251 -1.5251 -1.5213 -1.5213 -1.2763 -1.2763 -1.1393 -1.1393 2.1859 2.1859 2.1915 2.1915 2.2450 2.2450 2.5133 2.5133 2.5427 2.5427 2.5476 2.5476 3.8630 3.8630 3.8884 3.8884 11.4056 11.4056 11.5655 11.5655 11.6175 11.6175 12.7854 12.7854 k = 0.4510 0.5000 0.4510 ( 3438 PWs) bands (ev): -19.9880 -19.9880 -16.7263 -16.7263 -16.7177 -16.7177 -16.7150 -16.7150 -4.8855 -4.8855 -4.0898 -4.0898 -4.0844 -4.0844 -2.5951 -2.5951 -2.5795 -2.5795 -1.5258 -1.5258 -1.5200 -1.5200 -1.2755 -1.2755 -1.1302 -1.1302 2.1812 2.1812 2.1899 2.1899 2.2424 2.2424 2.5087 2.5087 2.5373 2.5373 2.5450 2.5450 3.8418 3.8418 3.8811 3.8811 11.3943 11.3943 11.5679 11.5679 11.6373 11.6373 12.8264 12.8264 k = 0.4412 0.5000 0.4412 ( 3430 PWs) bands (ev): -19.9882 -19.9882 -16.7276 -16.7276 -16.7184 -16.7184 -16.7150 -16.7150 -4.8826 -4.8826 -4.0870 -4.0870 -4.0793 -4.0793 -2.5920 -2.5920 -2.5694 -2.5694 -1.5265 -1.5265 -1.5183 -1.5183 -1.2744 -1.2744 -1.1191 -1.1191 2.1753 2.1753 2.1880 2.1880 2.2394 2.2394 2.5028 2.5028 2.5309 2.5309 2.5420 2.5420 3.8162 3.8162 3.8723 3.8723 11.3745 11.3745 11.5784 11.5784 11.6613 11.6613 12.8747 12.8747 k = 0.4314 0.5000 0.4314 ( 3430 PWs) bands (ev): -19.9884 -19.9884 -16.7294 -16.7294 -16.7190 -16.7190 -16.7149 -16.7149 -4.8793 -4.8793 -4.0837 -4.0837 -4.0734 -4.0734 -2.5884 -2.5884 -2.5576 -2.5576 -1.5275 -1.5275 -1.5162 -1.5162 -1.2732 -1.2732 -1.1059 -1.1059 2.1684 2.1684 2.1858 2.1858 2.2359 2.2359 2.4955 2.4955 2.5235 2.5235 2.5386 2.5386 3.7861 3.7861 3.8618 3.8618 11.3468 11.3468 11.5967 11.5967 11.6892 11.6892 12.9293 12.9293 k = 0.4216 0.5000 0.4216 ( 3434 PWs) bands (ev): -19.9887 -19.9887 -16.7316 -16.7316 -16.7195 -16.7195 -16.7148 -16.7148 -4.8756 -4.8756 -4.0800 -4.0800 -4.0666 -4.0666 -2.5844 -2.5844 -2.5440 -2.5440 -1.5286 -1.5286 -1.5139 -1.5139 -1.2717 -1.2717 -1.0906 -1.0906 2.1603 2.1603 2.1831 2.1831 2.2322 2.2322 2.4869 2.4869 2.5153 2.5153 2.5350 2.5350 3.7519 3.7519 3.8497 3.8497 11.3130 11.3130 11.6215 11.6215 11.7210 11.7210 12.9897 12.9897 k = 0.4118 0.5000 0.4118 ( 3422 PWs) bands (ev): -19.9890 -19.9890 -16.7343 -16.7343 -16.7198 -16.7198 -16.7147 -16.7147 -4.8714 -4.8714 -4.0758 -4.0758 -4.0591 -4.0591 -2.5799 -2.5799 -2.5287 -2.5287 -1.5298 -1.5298 -1.5111 -1.5111 -1.2699 -1.2699 -1.0732 -1.0732 2.1513 2.1513 2.1802 2.1802 2.2281 2.2281 2.4769 2.4769 2.5063 2.5063 2.5310 2.5310 3.7137 3.7137 3.8361 3.8361 11.2746 11.2746 11.6511 11.6511 11.7564 11.7564 13.0554 13.0554 k = 0.4020 0.5000 0.4020 ( 3422 PWs) bands (ev): -19.9893 -19.9893 -16.7374 -16.7374 -16.7201 -16.7201 -16.7145 -16.7145 -4.8668 -4.8668 -4.0712 -4.0712 -4.0510 -4.0510 -2.5751 -2.5751 -2.5116 -2.5116 -1.5310 -1.5310 -1.5080 -1.5080 -1.2679 -1.2679 -1.0537 -1.0537 2.1412 2.1412 2.1768 2.1768 2.2237 2.2237 2.4653 2.4653 2.4968 2.4968 2.5268 2.5268 3.6718 3.6718 3.8208 3.8208 11.2329 11.2329 11.6845 11.6845 11.7955 11.7955 13.1257 13.1257 k = 0.3922 0.5000 0.3922 ( 3424 PWs) bands (ev): -19.9897 -19.9897 -16.7408 -16.7408 -16.7202 -16.7202 -16.7143 -16.7143 -4.8619 -4.8619 -4.0661 -4.0661 -4.0421 -4.0421 -2.5699 -2.5699 -2.4929 -2.4929 -1.5323 -1.5323 -1.5045 -1.5045 -1.2656 -1.2656 -1.0320 -1.0320 2.1301 2.1301 2.1731 2.1731 2.2191 2.2191 2.4522 2.4522 2.4869 2.4869 2.5224 2.5224 3.6262 3.6262 3.8039 3.8039 11.1887 11.1887 11.7206 11.7206 11.8379 11.8379 13.2003 13.2003 k = 0.3824 0.5000 0.3824 ( 3416 PWs) bands (ev): -19.9901 -19.9901 -16.7446 -16.7446 -16.7204 -16.7204 -16.7141 -16.7141 -4.8567 -4.8567 -4.0608 -4.0608 -4.0327 -4.0327 -2.5645 -2.5645 -2.4724 -2.4724 -1.5336 -1.5336 -1.5006 -1.5006 -1.2629 -1.2629 -1.0081 -1.0081 2.1182 2.1182 2.1690 2.1690 2.2142 2.2142 2.4376 2.4376 2.4766 2.4766 2.5178 2.5178 3.5774 3.5774 3.7855 3.7855 11.1424 11.1424 11.7582 11.7582 11.8838 11.8838 13.2790 13.2790 k = 0.3725 0.5000 0.3725 ( 3414 PWs) bands (ev): -19.9906 -19.9906 -16.7487 -16.7487 -16.7205 -16.7205 -16.7138 -16.7138 -4.8512 -4.8512 -4.0550 -4.0550 -4.0228 -4.0228 -2.5588 -2.5588 -2.4503 -2.4503 -1.5349 -1.5349 -1.4963 -1.4963 -1.2599 -1.2599 -0.9821 -0.9821 2.1054 2.1054 2.1645 2.1645 2.2091 2.2091 2.4215 2.4215 2.4660 2.4660 2.5130 2.5130 3.5256 3.5256 3.7654 3.7654 11.0947 11.0947 11.7965 11.7965 11.9330 11.9330 13.3612 13.3612 k = 0.3627 0.5000 0.3627 ( 3418 PWs) bands (ev): -19.9910 -19.9910 -16.7531 -16.7531 -16.7206 -16.7206 -16.7135 -16.7135 -4.8455 -4.8455 -4.0490 -4.0490 -4.0125 -4.0125 -2.5530 -2.5530 -2.4266 -2.4266 -1.5362 -1.5362 -1.4916 -1.4916 -1.2565 -1.2565 -0.9540 -0.9540 2.0919 2.0919 2.1597 2.1597 2.2038 2.2038 2.4039 2.4039 2.4553 2.4553 2.5079 2.5079 3.4708 3.4708 3.7436 3.7436 11.0458 11.0458 11.8344 11.8344 11.9855 11.9855 13.4469 13.4469 k = 0.3529 0.5000 0.3529 ( 3420 PWs) bands (ev): -19.9915 -19.9915 -16.7578 -16.7578 -16.7207 -16.7207 -16.7132 -16.7132 -4.8395 -4.8395 -4.0426 -4.0426 -4.0018 -4.0018 -2.5470 -2.5470 -2.4014 -2.4014 -1.5372 -1.5372 -1.4864 -1.4864 -1.2528 -1.2528 -0.9237 -0.9237 2.0777 2.0777 2.1544 2.1544 2.1982 2.1982 2.3848 2.3848 2.4444 2.4444 2.5027 2.5027 3.4136 3.4136 3.7203 3.7203 10.9959 10.9959 11.8709 11.8709 12.0412 12.0412 13.5357 13.5357 k = 0.3431 0.5000 0.3431 ( 3420 PWs) bands (ev): -19.9921 -19.9921 -16.7626 -16.7626 -16.7207 -16.7207 -16.7128 -16.7128 -4.8334 -4.8334 -4.0360 -4.0360 -3.9908 -3.9908 -2.5409 -2.5409 -2.3746 -2.3746 -1.5381 -1.5381 -1.4807 -1.4807 -1.2486 -1.2486 -0.8912 -0.8912 2.0629 2.0629 2.1488 2.1488 2.1923 2.1923 2.3643 2.3643 2.4335 2.4335 2.4974 2.4974 3.3543 3.3543 3.6955 3.6955 10.9452 10.9452 11.9049 11.9049 12.0999 12.0999 13.6275 13.6275 k = 0.3333 0.5000 0.3333 ( 3424 PWs) bands (ev): -19.9927 -19.9927 -16.7677 -16.7677 -16.7208 -16.7208 -16.7124 -16.7124 -4.8271 -4.8271 -4.0291 -4.0291 -3.9797 -3.9797 -2.5347 -2.5347 -2.3465 -2.3465 -1.5388 -1.5388 -1.4745 -1.4745 -1.2441 -1.2441 -0.8567 -0.8567 2.0475 2.0475 2.1428 2.1428 2.1863 2.1863 2.3423 2.3423 2.4227 2.4227 2.4919 2.4919 3.2929 3.2929 3.6690 3.6690 10.8940 10.8940 11.9356 11.9356 12.1614 12.1614 13.7219 13.7219 k = 0.3235 0.5000 0.3235 ( 3420 PWs) bands (ev): -19.9932 -19.9932 -16.7730 -16.7730 -16.7208 -16.7208 -16.7119 -16.7119 -4.8208 -4.8208 -4.0221 -4.0221 -3.9685 -3.9685 -2.5284 -2.5284 -2.3169 -2.3169 -1.5391 -1.5391 -1.4677 -1.4677 -1.2391 -1.2391 -0.8201 -0.8201 2.0316 2.0316 2.1365 2.1365 2.1800 2.1800 2.3187 2.3187 2.4120 2.4120 2.4864 2.4864 3.2301 3.2301 3.6410 3.6410 10.8424 10.8424 11.9620 11.9620 12.2256 12.2256 13.8188 13.8188 k = 0.3137 0.5000 0.3137 ( 3420 PWs) bands (ev): -19.9939 -19.9939 -16.7784 -16.7784 -16.7208 -16.7208 -16.7115 -16.7115 -4.8144 -4.8144 -4.0148 -4.0148 -3.9572 -3.9572 -2.5222 -2.5222 -2.2861 -2.2861 -1.5392 -1.5392 -1.4602 -1.4602 -1.2336 -1.2336 -0.7814 -0.7814 2.0152 2.0152 2.1298 2.1298 2.1735 2.1735 2.2936 2.2936 2.4015 2.4015 2.4808 2.4808 3.1661 3.1661 3.6114 3.6114 10.7905 10.7905 11.9832 11.9832 12.2922 12.2922 13.9177 13.9177 k = 0.3039 0.5000 0.3039 ( 3416 PWs) bands (ev): -19.9945 -19.9945 -16.7840 -16.7840 -16.7207 -16.7207 -16.7110 -16.7110 -4.8080 -4.8080 -4.0074 -4.0074 -3.9461 -3.9461 -2.5160 -2.5160 -2.2539 -2.2539 -1.5387 -1.5387 -1.4521 -1.4521 -1.2277 -1.2277 -0.7407 -0.7407 1.9983 1.9983 2.1227 2.1227 2.1668 2.1668 2.2668 2.2668 2.3915 2.3915 2.4751 2.4751 3.1013 3.1013 3.5802 3.5802 10.7385 10.7385 11.9986 11.9986 12.3608 12.3608 14.0184 14.0184 k = 0.2941 0.5000 0.2941 ( 3420 PWs) bands (ev): -19.9952 -19.9952 -16.7897 -16.7897 -16.7207 -16.7207 -16.7105 -16.7105 -4.8015 -4.8015 -4.0000 -4.0000 -3.9351 -3.9351 -2.5098 -2.5098 -2.2206 -2.2206 -1.5379 -1.5379 -1.4433 -1.4433 -1.2214 -1.2214 -0.6981 -0.6981 1.9811 1.9811 2.1152 2.1152 2.1599 2.1599 2.2382 2.2382 2.3818 2.3818 2.4694 2.4694 3.0361 3.0361 3.5475 3.5475 10.6864 10.6864 12.0076 12.0076 12.4313 12.4313 14.1200 14.1200 k = 0.2843 0.5000 0.2843 ( 3420 PWs) bands (ev): -19.9959 -19.9959 -16.7954 -16.7954 -16.7206 -16.7206 -16.7099 -16.7099 -4.7952 -4.7952 -3.9924 -3.9924 -3.9243 -3.9243 -2.5037 -2.5037 -2.1864 -2.1864 -1.5365 -1.5365 -1.4337 -1.4337 -1.2146 -1.2146 -0.6536 -0.6536 1.9635 1.9635 2.1072 2.1072 2.1528 2.1528 2.2078 2.2078 2.3726 2.3726 2.4637 2.4637 2.9710 2.9710 3.5132 3.5132 10.6344 10.6344 12.0098 12.0098 12.5033 12.5033 14.1513 14.1513 k = 0.2745 0.5000 0.2745 ( 3424 PWs) bands (ev): -19.9966 -19.9966 -16.8013 -16.8013 -16.7204 -16.7204 -16.7094 -16.7094 -4.7889 -4.7889 -3.9848 -3.9848 -3.9139 -3.9139 -2.4977 -2.4977 -2.1512 -2.1512 -1.5347 -1.5347 -1.4232 -1.4232 -1.2074 -1.2074 -0.6074 -0.6074 1.9455 1.9455 2.0987 2.0987 2.1452 2.1452 2.1757 2.1757 2.3641 2.3641 2.4581 2.4581 2.9065 2.9065 3.4775 3.4775 10.5826 10.5826 12.0051 12.0051 12.5766 12.5766 14.0707 14.0707 k = 0.2647 0.5000 0.2647 ( 3412 PWs) bands (ev): -19.9974 -19.9974 -16.8072 -16.8072 -16.7203 -16.7203 -16.7088 -16.7088 -4.7827 -4.7827 -3.9772 -3.9772 -3.9038 -3.9038 -2.4918 -2.4918 -2.1152 -2.1152 -1.5321 -1.5321 -1.4116 -1.4116 -1.1997 -1.1997 -0.5594 -0.5594 1.9272 1.9272 2.0888 2.0888 2.1349 2.1349 2.1448 2.1448 2.3562 2.3562 2.4526 2.4526 2.8432 2.8432 3.4402 3.4402 10.5311 10.5311 11.9936 11.9936 12.6509 12.6509 13.9910 13.9910 k = 0.2549 0.5000 0.2549 ( 3420 PWs) bands (ev): -19.9981 -19.9981 -16.8131 -16.8131 -16.7201 -16.7201 -16.7083 -16.7083 -4.7766 -4.7766 -3.9697 -3.9697 -3.8942 -3.8942 -2.4861 -2.4861 -2.0788 -2.0788 -1.5292 -1.5292 -1.3990 -1.3990 -1.1916 -1.1916 -0.5098 -0.5098 1.9086 1.9086 2.0747 2.0747 2.1075 2.1075 2.1322 2.1322 2.3489 2.3489 2.4471 2.4471 2.7816 2.7816 3.4015 3.4015 10.4801 10.4801 11.9757 11.9757 12.7259 12.7259 13.9131 13.9131 k = 0.2451 0.5000 0.2451 ( 3420 PWs) bands (ev): -19.9989 -19.9989 -16.8190 -16.8190 -16.7199 -16.7199 -16.7077 -16.7077 -4.7708 -4.7708 -3.9622 -3.9622 -3.8850 -3.8850 -2.4805 -2.4805 -2.0419 -2.0419 -1.5257 -1.5257 -1.3851 -1.3851 -1.1830 -1.1830 -0.4586 -0.4586 1.8896 1.8896 2.0469 2.0469 2.0859 2.0859 2.1242 2.1242 2.3425 2.3425 2.4418 2.4418 2.7221 2.7221 3.3614 3.3614 10.4296 10.4296 11.9517 11.9517 12.8015 12.8015 13.8372 13.8372 k = 0.2353 0.5000 0.2353 ( 3418 PWs) bands (ev): -19.9997 -19.9997 -16.8249 -16.8249 -16.7196 -16.7196 -16.7071 -16.7071 -4.7650 -4.7650 -3.9548 -3.9548 -3.8764 -3.8764 -2.4750 -2.4750 -2.0048 -2.0048 -1.5216 -1.5216 -1.3699 -1.3699 -1.1739 -1.1739 -0.4061 -0.4061 1.8702 1.8702 2.0064 2.0064 2.0736 2.0736 2.1164 2.1164 2.3368 2.3368 2.4366 2.4366 2.6654 2.6654 3.3199 3.3199 10.3799 10.3799 11.9224 11.9224 12.8773 12.8773 13.7635 13.7635 k = 0.2255 0.5000 0.2255 ( 3424 PWs) bands (ev): -20.0004 -20.0004 -16.8308 -16.8308 -16.7193 -16.7193 -16.7066 -16.7066 -4.7595 -4.7595 -3.9475 -3.9475 -3.8684 -3.8684 -2.4697 -2.4697 -1.9679 -1.9679 -1.5171 -1.5171 -1.3531 -1.3531 -1.1645 -1.1645 -0.3523 -0.3523 1.8500 1.8500 1.9601 1.9601 2.0639 2.0639 2.1087 2.1087 2.3318 2.3318 2.4315 2.4315 2.6120 2.6120 3.2770 3.2770 10.3309 10.3309 11.8885 11.8885 12.9530 12.9530 13.6920 13.6920 k = 0.2157 0.5000 0.2157 ( 3436 PWs) bands (ev): -20.0012 -20.0012 -16.8366 -16.8366 -16.7190 -16.7190 -16.7060 -16.7060 -4.7543 -4.7543 -3.9404 -3.9404 -3.8610 -3.8610 -2.4646 -2.4646 -1.9313 -1.9313 -1.5121 -1.5121 -1.3347 -1.3347 -1.1546 -1.1546 -0.2974 -0.2974 1.8284 1.8284 1.9109 1.9109 2.0550 2.0550 2.1010 2.1010 2.3277 2.3277 2.4264 2.4264 2.5621 2.5621 3.2328 3.2328 10.2828 10.2828 11.8506 11.8506 13.0286 13.0286 13.6228 13.6228 k = 0.2059 0.5000 0.2059 ( 3436 PWs) bands (ev): -20.0020 -20.0020 -16.8423 -16.8423 -16.7187 -16.7187 -16.7055 -16.7055 -4.7492 -4.7492 -3.9335 -3.9335 -3.8542 -3.8542 -2.4597 -2.4597 -1.8952 -1.8952 -1.5066 -1.5066 -1.3143 -1.3143 -1.1442 -1.1442 -0.2416 -0.2416 1.8026 1.8026 1.8618 1.8618 2.0466 2.0466 2.0933 2.0933 2.3242 2.3242 2.4214 2.4214 2.5161 2.5161 3.1874 3.1874 10.2358 10.2358 11.8096 11.8096 13.1036 13.1036 13.5561 13.5561 k = 0.1961 0.5000 0.1961 ( 3434 PWs) bands (ev): -20.0028 -20.0028 -16.8479 -16.8479 -16.7183 -16.7183 -16.7049 -16.7049 -4.7444 -4.7444 -3.9268 -3.9268 -3.8480 -3.8480 -2.4549 -2.4549 -1.8599 -1.8599 -1.5009 -1.5009 -1.2920 -1.2920 -1.1333 -1.1333 -0.1848 -0.1848 1.7651 1.7651 1.8210 1.8210 2.0385 2.0385 2.0856 2.0856 2.3215 2.3215 2.4159 2.4159 2.4747 2.4747 3.1408 3.1408 10.1900 10.1900 11.7661 11.7661 13.1778 13.1778 13.4919 13.4919 k = 0.1863 0.5000 0.1863 ( 3434 PWs) bands (ev): -20.0036 -20.0036 -16.8533 -16.8533 -16.7179 -16.7179 -16.7044 -16.7044 -4.7399 -4.7399 -3.9204 -3.9204 -3.8423 -3.8423 -2.4503 -2.4503 -1.8258 -1.8258 -1.4948 -1.4948 -1.2678 -1.2678 -1.1217 -1.1217 -0.1275 -0.1275 1.7120 1.7120 1.7929 1.7929 2.0308 2.0308 2.0780 2.0780 2.3194 2.3194 2.4076 2.4076 2.4399 2.4399 3.0931 3.0931 10.1454 10.1454 11.7208 11.7208 13.2510 13.2510 13.4302 13.4302 k = 0.1765 0.5000 0.1765 ( 3434 PWs) bands (ev): -20.0043 -20.0043 -16.8586 -16.8586 -16.7175 -16.7175 -16.7038 -16.7038 -4.7357 -4.7357 -3.9142 -3.9142 -3.8373 -3.8373 -2.4459 -2.4459 -1.7931 -1.7931 -1.4886 -1.4886 -1.2417 -1.2417 -1.1093 -1.1093 -0.0698 -0.0698 1.6501 1.6501 1.7709 1.7709 2.0237 2.0237 2.0705 2.0705 2.3176 2.3176 2.3883 2.3883 2.4203 2.4203 3.0444 3.0444 10.1023 10.1023 11.6744 11.6744 13.3229 13.3229 13.3713 13.3713 k = 0.1667 0.5000 0.1667 ( 3418 PWs) bands (ev): -20.0051 -20.0051 -16.8638 -16.8638 -16.7171 -16.7171 -16.7033 -16.7033 -4.7317 -4.7317 -3.9083 -3.9083 -3.8328 -3.8328 -2.4416 -2.4416 -1.7619 -1.7619 -1.4822 -1.4822 -1.2140 -1.2140 -1.0956 -1.0956 -0.0118 -0.0118 1.5840 1.5840 1.7512 1.7512 2.0171 2.0171 2.0631 2.0631 2.3158 2.3158 2.3608 2.3608 2.4130 2.4130 2.9949 2.9949 10.0607 10.0607 11.6275 11.6275 13.3150 13.3150 13.3933 13.3933 k = 0.1569 0.5000 0.1569 ( 3438 PWs) bands (ev): -20.0058 -20.0058 -16.8688 -16.8688 -16.7167 -16.7167 -16.7028 -16.7028 -4.7280 -4.7280 -3.9028 -3.9028 -3.8288 -3.8288 -2.4377 -2.4377 -1.7328 -1.7328 -1.4759 -1.4759 -1.1858 -1.1858 -1.0802 -1.0802 0.0461 0.0461 1.5153 1.5153 1.7328 1.7328 2.0111 2.0111 2.0558 2.0558 2.3116 2.3116 2.3362 2.3362 2.4088 2.4088 2.9445 2.9445 10.0208 10.0208 11.5806 11.5806 13.2616 13.2616 13.4618 13.4618 k = 0.1471 0.5000 0.1471 ( 3438 PWs) bands (ev): -20.0065 -20.0065 -16.8735 -16.8735 -16.7163 -16.7163 -16.7023 -16.7023 -4.7246 -4.7246 -3.8976 -3.8976 -3.8252 -3.8252 -2.4340 -2.4340 -1.7054 -1.7054 -1.4696 -1.4696 -1.1580 -1.1580 -1.0615 -1.0615 0.1037 0.1037 1.4450 1.4450 1.7153 1.7153 2.0060 2.0060 2.0487 2.0487 2.2971 2.2971 2.3243 2.3243 2.4058 2.4058 2.8935 2.8935 9.9826 9.9826 11.5341 11.5341 13.2111 13.2111 13.5282 13.5282 k = 0.1373 0.5000 0.1373 ( 3430 PWs) bands (ev): -20.0072 -20.0072 -16.8780 -16.8780 -16.7158 -16.7158 -16.7019 -16.7019 -4.7214 -4.7214 -3.8928 -3.8928 -3.8221 -3.8221 -2.4304 -2.4304 -1.6800 -1.6800 -1.4634 -1.4634 -1.1327 -1.1327 -1.0381 -1.0381 0.1608 0.1608 1.3738 1.3738 1.6985 1.6985 2.0019 2.0019 2.0419 2.0419 2.2756 2.2756 2.3218 2.3218 2.4035 2.4035 2.8419 2.8419 9.9463 9.9463 11.4887 11.4887 13.1636 13.1636 13.5921 13.5921 k = 0.1275 0.5000 0.1275 ( 3436 PWs) bands (ev): -20.0079 -20.0079 -16.8823 -16.8823 -16.7154 -16.7154 -16.7014 -16.7014 -4.7185 -4.7185 -3.8884 -3.8884 -3.8194 -3.8194 -2.4270 -2.4270 -1.6566 -1.6566 -1.4573 -1.4573 -1.1112 -1.1112 -1.0091 -1.0091 0.2169 0.2169 1.3023 1.3023 1.6826 1.6826 1.9989 1.9989 2.0353 2.0353 2.2543 2.2543 2.3215 2.3215 2.4016 2.4016 2.7900 2.7900 9.9120 9.9120 11.4446 11.4446 13.1190 13.1190 13.6533 13.6533 k = 0.1176 0.5000 0.1176 ( 3440 PWs) bands (ev): -20.0085 -20.0085 -16.8864 -16.8864 -16.7150 -16.7150 -16.7010 -16.7010 -4.7159 -4.7159 -3.8844 -3.8844 -3.8170 -3.8170 -2.4239 -2.4239 -1.6353 -1.6353 -1.4515 -1.4515 -1.0939 -1.0939 -0.9744 -0.9744 0.2717 0.2717 1.2311 1.2311 1.6675 1.6675 1.9972 1.9972 2.0290 2.0290 2.2346 2.2346 2.3216 2.3216 2.4003 2.4003 2.7380 2.7380 9.8799 9.8799 11.4023 11.4023 13.0775 13.0775 13.7115 13.7115 k = 0.1078 0.5000 0.1078 ( 3436 PWs) bands (ev): -20.0091 -20.0091 -16.8901 -16.8901 -16.7145 -16.7145 -16.7006 -16.7006 -4.7136 -4.7136 -3.8808 -3.8808 -3.8149 -3.8149 -2.4210 -2.4210 -1.6159 -1.6159 -1.4459 -1.4459 -1.0797 -1.0797 -0.9356 -0.9356 0.3249 0.3249 1.1608 1.1608 1.6533 1.6533 1.9969 1.9969 2.0231 2.0231 2.2166 2.2166 2.3219 2.3219 2.3994 2.3994 2.6862 2.6862 9.8499 9.8499 11.3621 11.3621 13.0391 13.0391 13.7664 13.7664 k = 0.0980 0.5000 0.0980 ( 3448 PWs) bands (ev): -20.0096 -20.0096 -16.8936 -16.8936 -16.7142 -16.7142 -16.7003 -16.7003 -4.7115 -4.7115 -3.8776 -3.8776 -3.8130 -3.8130 -2.4184 -2.4184 -1.5986 -1.5986 -1.4406 -1.4406 -1.0678 -1.0678 -0.8942 -0.8942 0.3760 0.3760 1.0919 1.0919 1.6400 1.6400 1.9984 1.9984 2.0176 2.0176 2.2004 2.2004 2.3221 2.3221 2.3989 2.3989 2.6348 2.6348 9.8221 9.8221 11.3243 11.3243 13.0039 13.0039 13.8176 13.8176 k = 0.0882 0.5000 0.0882 ( 3452 PWs) bands (ev): -20.0102 -20.0102 -16.8968 -16.8968 -16.7138 -16.7138 -16.7000 -16.7000 -4.7096 -4.7096 -3.8748 -3.8748 -3.8114 -3.8114 -2.4160 -2.4160 -1.5830 -1.5830 -1.4356 -1.4356 -1.0576 -1.0576 -0.8513 -0.8513 0.4246 0.4246 1.0251 1.0251 1.6278 1.6278 2.0017 2.0017 2.0125 2.0125 2.1859 2.1859 2.3219 2.3219 2.3988 2.3988 2.5841 2.5841 9.7968 9.7968 11.2893 11.2893 12.9720 12.9720 13.8648 13.8648 k = 0.0784 0.5000 0.0784 ( 3444 PWs) bands (ev): -20.0106 -20.0106 -16.8997 -16.8997 -16.7134 -16.7134 -16.6997 -16.6997 -4.7080 -4.7080 -3.8724 -3.8724 -3.8099 -3.8099 -2.4138 -2.4138 -1.5692 -1.5692 -1.4309 -1.4309 -1.0486 -1.0486 -0.8082 -0.8082 0.4700 0.4700 0.9611 0.9611 1.6167 1.6167 2.0060 2.0060 2.0090 2.0090 2.1730 2.1730 2.3211 2.3211 2.3990 2.3990 2.5348 2.5348 9.7739 9.7739 11.2572 11.2572 12.9432 12.9432 13.9077 13.9077 k = 0.0686 0.5000 0.0686 ( 3444 PWs) bands (ev): -20.0110 -20.0110 -16.9023 -16.9023 -16.7131 -16.7131 -16.6994 -16.6994 -4.7066 -4.7066 -3.8704 -3.8704 -3.8087 -3.8087 -2.4119 -2.4119 -1.5571 -1.5571 -1.4267 -1.4267 -1.0408 -1.0408 -0.7658 -0.7658 0.5119 0.5119 0.9008 0.9008 1.6067 1.6067 2.0031 2.0031 2.0156 2.0156 2.1618 2.1618 2.3193 2.3193 2.3994 2.3994 2.4876 2.4876 9.7536 9.7536 11.2283 11.2283 12.9178 12.9178 13.9459 13.9459 k = 0.0588 0.5000 0.0588 ( 3440 PWs) bands (ev): -20.0114 -20.0114 -16.9045 -16.9045 -16.7128 -16.7128 -16.6992 -16.6992 -4.7054 -4.7054 -3.8687 -3.8687 -3.8076 -3.8076 -2.4102 -2.4102 -1.5468 -1.5468 -1.4229 -1.4229 -1.0341 -1.0341 -0.7253 -0.7253 0.5496 0.5496 0.8450 0.8450 1.5980 1.5980 1.9994 1.9994 2.0259 2.0259 2.1522 2.1522 2.3153 2.3153 2.3998 2.3998 2.4438 2.4438 9.7358 9.7358 11.2029 11.2029 12.8957 12.8957 13.9790 13.9790 k = 0.0490 0.5000 0.0490 ( 3448 PWs) bands (ev): -20.0117 -20.0117 -16.9064 -16.9064 -16.7126 -16.7126 -16.6990 -16.6990 -4.7044 -4.7044 -3.8673 -3.8673 -3.8066 -3.8066 -2.4088 -2.4088 -1.5382 -1.5382 -1.4197 -1.4197 -1.0285 -1.0285 -0.6878 -0.6878 0.5824 0.5824 0.7950 0.7950 1.5905 1.5905 1.9963 1.9963 2.0389 2.0389 2.1443 2.1443 2.3072 2.3072 2.3991 2.3991 2.4072 2.4072 9.7206 9.7206 11.1810 11.1810 12.8769 12.8769 14.0064 14.0064 k = 0.0392 0.5000 0.0392 ( 3442 PWs) bands (ev): -20.0120 -20.0120 -16.9080 -16.9080 -16.7124 -16.7124 -16.6988 -16.6988 -4.7036 -4.7036 -3.8663 -3.8663 -3.8059 -3.8059 -2.4076 -2.4076 -1.5311 -1.5311 -1.4169 -1.4169 -1.0238 -1.0238 -0.6545 -0.6545 0.6097 0.6097 0.7520 0.7520 1.5843 1.5843 1.9936 1.9936 2.0545 2.0545 2.1380 2.1380 2.2913 2.2913 2.3772 2.3772 2.4018 2.4018 9.7082 9.7082 11.1630 11.1630 12.8615 12.8615 14.0274 14.0274 k = 0.0294 0.5000 0.0294 ( 3430 PWs) bands (ev): -20.0121 -20.0121 -16.9092 -16.9092 -16.7122 -16.7122 -16.6987 -16.6987 -4.7030 -4.7030 -3.8654 -3.8654 -3.8052 -3.8052 -2.4066 -2.4066 -1.5256 -1.5256 -1.4146 -1.4146 -1.0201 -1.0201 -0.6267 -0.6267 0.6305 0.6305 0.7177 0.7177 1.5794 1.5794 1.9915 1.9915 2.0724 2.0724 2.1337 2.1337 2.2663 2.2663 2.3616 2.3616 2.4022 2.4022 9.6984 9.6984 11.1488 11.1488 12.8496 12.8496 14.0414 14.0414 k = 0.0196 0.5000 0.0196 ( 3434 PWs) bands (ev): -20.0123 -20.0123 -16.9101 -16.9101 -16.7121 -16.7121 -16.6986 -16.6986 -4.7025 -4.7025 -3.8649 -3.8649 -3.8048 -3.8048 -2.4060 -2.4060 -1.5218 -1.5218 -1.4131 -1.4131 -1.0175 -1.0175 -0.6058 -0.6058 0.6432 0.6432 0.6946 0.6946 1.5760 1.5760 1.9900 1.9900 2.0909 2.0909 2.1322 2.1322 2.2370 2.2370 2.3541 2.3541 2.4026 2.4026 9.6915 9.6915 11.1386 11.1386 12.8410 12.8410 14.0489 14.0489 k = 0.0098 0.5000 0.0098 ( 3450 PWs) bands (ev): -20.0124 -20.0124 -16.9106 -16.9106 -16.7120 -16.7120 -16.6986 -16.6986 -4.7023 -4.7023 -3.8646 -3.8646 -3.8046 -3.8046 -2.4056 -2.4056 -1.5196 -1.5196 -1.4122 -1.4122 -1.0160 -1.0160 -0.5929 -0.5929 0.6467 0.6467 0.6845 0.6845 1.5739 1.5739 1.9891 1.9891 2.1053 2.1053 2.1359 2.1359 2.2100 2.2100 2.3508 2.3508 2.4029 2.4029 9.6873 9.6873 11.1324 11.1324 12.8359 12.8359 14.0518 14.0518 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): -20.0124 -20.0124 -16.9108 -16.9108 -16.7120 -16.7120 -16.6986 -16.6986 -4.7022 -4.7022 -3.8644 -3.8644 -3.8045 -3.8045 -2.4055 -2.4055 -1.5188 -1.5188 -1.4118 -1.4118 -1.0155 -1.0155 -0.5884 -0.5884 0.6462 0.6462 0.6827 0.6827 1.5732 1.5732 1.9888 1.9888 2.1099 2.1099 2.1412 2.1412 2.1969 2.1969 2.3498 2.3498 2.4030 2.4030 9.6859 9.6859 11.1304 11.1304 12.8341 12.8341 14.0524 14.0524 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): -19.9970 -19.9970 -16.8004 -16.8004 -16.7273 -16.7273 -16.7213 -16.7213 -4.7525 -4.7525 -3.9600 -3.9600 -3.7998 -3.7998 -2.6122 -2.6122 -2.1342 -2.1342 -1.6428 -1.6428 -1.4415 -1.4415 -1.1978 -1.1978 0.8722 0.8722 0.9142 0.9142 1.9161 1.9161 2.0030 2.0030 2.0191 2.0191 2.2438 2.2438 2.2777 2.2777 2.5313 2.5313 3.8993 3.8993 10.7813 10.7813 13.0601 13.0601 13.0722 13.0722 13.1735 13.1735 k = 0.5000 0.5000 0.0139 ( 3436 PWs) bands (ev): -19.9970 -19.9970 -16.8002 -16.8002 -16.7273 -16.7273 -16.7213 -16.7213 -4.7527 -4.7527 -3.9603 -3.9603 -3.8005 -3.8005 -2.6120 -2.6120 -2.1345 -2.1345 -1.6423 -1.6423 -1.4414 -1.4414 -1.1978 -1.1978 0.7769 0.7769 1.0111 1.0111 1.9167 1.9167 2.0035 2.0035 2.0198 2.0198 2.2443 2.2443 2.2780 2.2780 2.5314 2.5314 3.8994 3.8994 10.7820 10.7820 13.0625 13.0625 13.0665 13.0665 13.1678 13.1678 k = 0.5000 0.5000 0.0278 ( 3436 PWs) bands (ev): -19.9969 -19.9969 -16.7998 -16.7998 -16.7272 -16.7272 -16.7212 -16.7212 -4.7535 -4.7535 -3.9611 -3.9611 -3.8024 -3.8024 -2.6119 -2.6119 -2.1361 -2.1361 -1.6413 -1.6413 -1.4418 -1.4418 -1.1984 -1.1984 0.6649 0.6649 1.1271 1.1271 1.9184 1.9184 2.0052 2.0052 2.0217 2.0217 2.2454 2.2454 2.2789 2.2789 2.5314 2.5314 3.8994 3.8994 10.7843 10.7843 13.0497 13.0497 13.0696 13.0696 13.1508 13.1508 k = 0.5000 0.5000 0.0417 ( 3428 PWs) bands (ev): -19.9968 -19.9968 -16.7990 -16.7990 -16.7272 -16.7272 -16.7212 -16.7212 -4.7548 -4.7548 -3.9624 -3.9624 -3.8056 -3.8056 -2.6118 -2.6118 -2.1387 -2.1387 -1.6397 -1.6397 -1.4425 -1.4425 -1.1994 -1.1994 0.5542 0.5542 1.2446 1.2446 1.9212 1.9212 2.0080 2.0080 2.0249 2.0249 2.2473 2.2473 2.2804 2.2804 2.5316 2.5316 3.8994 3.8994 10.7880 10.7880 13.0226 13.0226 13.0814 13.0814 13.1235 13.1235 k = 0.5000 0.5000 0.0556 ( 3428 PWs) bands (ev): -19.9967 -19.9967 -16.7980 -16.7980 -16.7271 -16.7271 -16.7211 -16.7211 -4.7566 -4.7566 -3.9642 -3.9642 -3.8101 -3.8101 -2.6116 -2.6116 -2.1425 -2.1425 -1.6375 -1.6375 -1.4434 -1.4434 -1.2008 -1.2008 0.4454 0.4454 1.3628 1.3628 1.9250 1.9250 2.0118 2.0118 2.0294 2.0294 2.2501 2.2501 2.2825 2.2825 2.5317 2.5317 3.8994 3.8994 10.7933 10.7933 12.9860 12.9860 13.0861 13.0861 13.0987 13.0987 k = 0.5000 0.5000 0.0694 ( 3424 PWs) bands (ev): -19.9965 -19.9965 -16.7966 -16.7966 -16.7270 -16.7270 -16.7210 -16.7210 -4.7589 -4.7589 -3.9666 -3.9666 -3.8157 -3.8157 -2.6114 -2.6114 -2.1473 -2.1473 -1.6347 -1.6347 -1.4445 -1.4445 -1.2026 -1.2026 0.3389 0.3389 1.4813 1.4813 1.9299 1.9299 2.0166 2.0166 2.0350 2.0350 2.2536 2.2536 2.2851 2.2851 2.5320 2.5320 3.8995 3.8995 10.8000 10.8000 12.9415 12.9415 13.0418 13.0418 13.1197 13.1197 k = 0.5000 0.5000 0.0833 ( 3424 PWs) bands (ev): -19.9964 -19.9964 -16.7950 -16.7950 -16.7268 -16.7268 -16.7209 -16.7209 -4.7617 -4.7617 -3.9694 -3.9694 -3.8225 -3.8225 -2.6111 -2.6111 -2.1533 -2.1533 -1.6314 -1.6314 -1.4459 -1.4459 -1.2047 -1.2047 0.2350 0.2350 1.5997 1.5997 1.9357 1.9357 2.0225 2.0225 2.0416 2.0416 2.2581 2.2581 2.2885 2.2885 2.5322 2.5322 3.8995 3.8995 10.8083 10.8083 12.8901 12.8901 12.9904 12.9904 13.1457 13.1457 k = 0.5000 0.5000 0.0972 ( 3416 PWs) bands (ev): -19.9961 -19.9961 -16.7931 -16.7931 -16.7267 -16.7267 -16.7207 -16.7207 -4.7649 -4.7649 -3.9727 -3.9727 -3.8303 -3.8303 -2.6108 -2.6108 -2.1604 -2.1604 -1.6275 -1.6275 -1.4474 -1.4474 -1.2071 -1.2071 0.1340 0.1340 1.7176 1.7176 1.9425 1.9425 2.0293 2.0293 2.0493 2.0493 2.2635 2.2635 2.2925 2.2925 2.5326 2.5326 3.8996 3.8996 10.8181 10.8181 12.8333 12.8333 12.9336 12.9336 13.1765 13.1765 k = 0.5000 0.5000 0.1111 ( 3424 PWs) bands (ev): -19.9959 -19.9959 -16.7909 -16.7909 -16.7265 -16.7265 -16.7206 -16.7206 -4.7686 -4.7686 -3.9764 -3.9764 -3.8391 -3.8391 -2.6104 -2.6104 -2.1688 -2.1688 -1.6233 -1.6233 -1.4494 -1.4494 -1.2098 -1.2098 0.0360 0.0360 1.8340 1.8340 1.9502 1.9502 2.0375 2.0375 2.0578 2.0578 2.2700 2.2700 2.2971 2.2971 2.5329 2.5329 3.8996 3.8996 10.8294 10.8294 12.7722 12.7722 12.8726 12.8726 13.2120 13.2120 k = 0.5000 0.5000 0.1250 ( 3436 PWs) bands (ev): -19.9956 -19.9956 -16.7886 -16.7886 -16.7264 -16.7264 -16.7204 -16.7204 -4.7726 -4.7726 -3.9805 -3.9805 -3.8488 -3.8488 -2.6101 -2.6101 -2.1783 -2.1783 -1.6187 -1.6187 -1.4515 -1.4515 -1.2129 -1.2129 -0.0587 -0.0587 1.9467 1.9467 1.9587 1.9587 2.0486 2.0486 2.0670 2.0670 2.2779 2.2779 2.3025 2.3025 2.5333 2.5333 3.8996 3.8996 10.8423 10.8423 12.7079 12.7079 12.8085 12.8085 13.2521 13.2521 k = 0.5000 0.5000 0.1389 ( 3436 PWs) bands (ev): -19.9953 -19.9953 -16.7860 -16.7860 -16.7261 -16.7261 -16.7202 -16.7202 -4.7771 -4.7771 -3.9850 -3.9850 -3.8593 -3.8593 -2.6097 -2.6097 -2.1890 -2.1890 -1.6138 -1.6138 -1.4538 -1.4538 -1.2161 -1.2161 -0.1498 -0.1498 1.9680 1.9680 2.0322 2.0322 2.0769 2.0769 2.0850 2.0850 2.2881 2.2881 2.3086 2.3086 2.5338 2.5338 3.8996 3.8996 10.8567 10.8567 12.6411 12.6411 12.7421 12.7421 13.2968 13.2968 k = 0.5000 0.5000 0.1528 ( 3432 PWs) bands (ev): -19.9950 -19.9950 -16.7832 -16.7832 -16.7259 -16.7259 -16.7200 -16.7200 -4.7819 -4.7819 -3.9898 -3.9898 -3.8704 -3.8704 -2.6093 -2.6093 -2.2010 -2.2010 -1.6086 -1.6086 -1.4563 -1.4563 -1.2196 -1.2196 -0.2373 -0.2373 1.9780 1.9780 2.0536 2.0536 2.0873 2.0873 2.1795 2.1795 2.3043 2.3043 2.3154 2.3154 2.5344 2.5344 3.8997 3.8997 10.8727 10.8727 12.5729 12.5729 12.6742 12.6742 13.3462 13.3462 k = 0.5000 0.5000 0.1667 ( 3432 PWs) bands (ev): -19.9946 -19.9946 -16.7802 -16.7802 -16.7257 -16.7257 -16.7197 -16.7197 -4.7870 -4.7870 -3.9949 -3.9949 -3.8821 -3.8821 -2.6089 -2.6089 -2.2143 -2.2143 -1.6032 -1.6032 -1.4590 -1.4590 -1.2231 -1.2231 -0.3209 -0.3209 1.9887 1.9887 2.0646 2.0646 2.0980 2.0980 2.2584 2.2584 2.3230 2.3230 2.3458 2.3458 2.5351 2.5351 3.8998 3.8998 10.8902 10.8902 12.5037 12.5037 12.6055 12.6055 13.4000 13.4000 k = 0.5000 0.5000 0.1806 ( 3432 PWs) bands (ev): -19.9943 -19.9943 -16.7770 -16.7770 -16.7254 -16.7254 -16.7195 -16.7195 -4.7923 -4.7923 -4.0003 -4.0003 -3.8943 -3.8943 -2.6085 -2.6085 -2.2289 -2.2289 -1.5977 -1.5977 -1.4618 -1.4618 -1.2268 -1.2268 -0.4004 -0.4004 1.9998 1.9998 2.0744 2.0744 2.1088 2.1088 2.2908 2.2908 2.3314 2.3314 2.4335 2.4335 2.5364 2.5364 3.8999 3.8999 10.9093 10.9093 12.4343 12.4343 12.5366 12.5366 13.4584 13.4584 k = 0.5000 0.5000 0.1944 ( 3432 PWs) bands (ev): -19.9939 -19.9939 -16.7738 -16.7738 -16.7252 -16.7252 -16.7193 -16.7193 -4.7979 -4.7979 -4.0058 -4.0058 -3.9068 -3.9068 -2.6080 -2.6080 -2.2447 -2.2447 -1.5921 -1.5921 -1.4648 -1.4648 -1.2305 -1.2305 -0.4758 -0.4758 2.0114 2.0114 2.0838 2.0838 2.1197 2.1197 2.3072 2.3072 2.3406 2.3406 2.5243 2.5243 2.5499 2.5499 3.9000 3.9000 10.9299 10.9299 12.3651 12.3651 12.4680 12.4680 13.5211 13.5211 k = 0.5000 0.5000 0.2083 ( 3428 PWs) bands (ev): -19.9935 -19.9935 -16.7704 -16.7704 -16.7249 -16.7249 -16.7190 -16.7190 -4.8037 -4.8037 -4.0116 -4.0116 -3.9196 -3.9196 -2.6076 -2.6076 -2.2617 -2.2617 -1.5865 -1.5865 -1.4679 -1.4679 -1.2343 -1.2343 -0.5468 -0.5468 2.0233 2.0233 2.0930 2.0930 2.1304 2.1304 2.3208 2.3208 2.3506 2.3506 2.5345 2.5345 2.6452 2.6452 3.9000 3.9000 10.9521 10.9521 12.2966 12.2966 12.4000 12.4000 13.5882 13.5882 k = 0.5000 0.5000 0.2222 ( 3428 PWs) bands (ev): -19.9931 -19.9931 -16.7669 -16.7669 -16.7246 -16.7246 -16.7187 -16.7187 -4.8096 -4.8096 -4.0174 -4.0174 -3.9325 -3.9325 -2.6072 -2.6072 -2.2798 -2.2798 -1.5810 -1.5810 -1.4712 -1.4712 -1.2380 -1.2380 -0.6134 -0.6134 2.0355 2.0355 2.1019 2.1019 2.1409 2.1409 2.3338 2.3338 2.3613 2.3613 2.5358 2.5358 2.7481 2.7481 3.9001 3.9001 10.9758 10.9758 12.2292 12.2292 12.3332 12.3332 13.6596 13.6596 k = 0.5000 0.5000 0.2361 ( 3420 PWs) bands (ev): -19.9927 -19.9927 -16.7634 -16.7634 -16.7243 -16.7243 -16.7185 -16.7185 -4.8156 -4.8156 -4.0233 -4.0233 -3.9455 -3.9455 -2.6067 -2.6067 -2.2989 -2.2989 -1.5755 -1.5755 -1.4746 -1.4746 -1.2417 -1.2417 -0.6755 -0.6755 2.0478 2.0478 2.1106 2.1106 2.1511 2.1511 2.3469 2.3469 2.3727 2.3727 2.5366 2.5366 2.8490 2.8490 3.9002 3.9002 11.0009 11.0009 12.1633 12.1633 12.2678 12.2678 13.7350 13.7350 k = 0.5000 0.5000 0.2500 ( 3412 PWs) bands (ev): -19.9923 -19.9923 -16.7599 -16.7599 -16.7240 -16.7240 -16.7182 -16.7182 -4.8217 -4.8217 -4.0292 -4.0292 -3.9584 -3.9584 -2.6063 -2.6063 -2.3190 -2.3190 -1.5702 -1.5702 -1.4779 -1.4779 -1.2453 -1.2453 -0.7332 -0.7332 2.0602 2.0602 2.1189 2.1189 2.1608 2.1608 2.3601 2.3601 2.3847 2.3847 2.5373 2.5373 2.9472 2.9472 3.9003 3.9003 11.0275 11.0275 12.0992 12.0992 12.2041 12.2041 13.7429 13.7429 k = 0.5000 0.5000 0.2639 ( 3432 PWs) bands (ev): -19.9919 -19.9919 -16.7564 -16.7564 -16.7237 -16.7237 -16.7179 -16.7179 -4.8278 -4.8278 -4.0352 -4.0352 -3.9711 -3.9711 -2.6059 -2.6059 -2.3400 -2.3400 -1.5653 -1.5653 -1.4815 -1.4815 -1.2489 -1.2489 -0.7865 -0.7865 2.0724 2.0724 2.1268 2.1268 2.1701 2.1701 2.3736 2.3736 2.3972 2.3972 2.5380 2.5380 3.0420 3.0420 3.9003 3.9003 11.0555 11.0555 12.0371 12.0371 12.1424 12.1424 13.6575 13.6575 k = 0.5000 0.5000 0.2778 ( 3432 PWs) bands (ev): -19.9915 -19.9915 -16.7529 -16.7529 -16.7234 -16.7234 -16.7177 -16.7177 -4.8339 -4.8339 -4.0410 -4.0410 -3.9836 -3.9836 -2.6056 -2.6056 -2.3616 -2.3616 -1.5604 -1.5604 -1.4851 -1.4851 -1.2522 -1.2522 -0.8354 -0.8354 2.0846 2.0846 2.1344 2.1344 2.1788 2.1788 2.3872 2.3872 2.4102 2.4102 2.5387 2.5387 3.1332 3.1332 3.9004 3.9004 11.0847 11.0847 11.9775 11.9775 12.0831 12.0831 13.5737 13.5737 k = 0.5000 0.5000 0.2917 ( 3448 PWs) bands (ev): -19.9911 -19.9911 -16.7494 -16.7494 -16.7230 -16.7230 -16.7174 -16.7174 -4.8398 -4.8398 -4.0468 -4.0468 -3.9958 -3.9958 -2.6052 -2.6052 -2.3836 -2.3836 -1.5558 -1.5558 -1.4889 -1.4889 -1.2556 -1.2556 -0.8800 -0.8800 2.0965 2.0965 2.1415 2.1415 2.1871 2.1871 2.4007 2.4007 2.4233 2.4233 2.5394 2.5394 3.2204 3.2204 3.9005 3.9005 11.1151 11.1151 11.9205 11.9205 12.0262 12.0262 13.4915 13.4915 k = 0.5000 0.5000 0.3056 ( 3448 PWs) bands (ev): -19.9907 -19.9907 -16.7461 -16.7461 -16.7227 -16.7227 -16.7172 -16.7172 -4.8457 -4.8457 -4.0524 -4.0524 -4.0076 -4.0076 -2.6049 -2.6049 -2.4057 -2.4057 -1.5515 -1.5515 -1.4925 -1.4925 -1.2586 -1.2586 -0.9205 -0.9205 2.1080 2.1080 2.1482 2.1482 2.1948 2.1948 2.4142 2.4142 2.4366 2.4366 2.5401 2.5401 3.3034 3.3034 3.9006 3.9006 11.1464 11.1464 11.8663 11.8663 11.9720 11.9720 13.4113 13.4113 k = 0.5000 0.5000 0.3194 ( 3440 PWs) bands (ev): -19.9903 -19.9903 -16.7429 -16.7429 -16.7223 -16.7223 -16.7169 -16.7169 -4.8513 -4.8513 -4.0578 -4.0578 -4.0188 -4.0188 -2.6045 -2.6045 -2.4278 -2.4278 -1.5475 -1.5475 -1.4959 -1.4959 -1.2613 -1.2613 -0.9571 -0.9571 2.1191 2.1191 2.1545 2.1545 2.2020 2.2020 2.4275 2.4275 2.4498 2.4498 2.5408 2.5408 3.3820 3.3820 3.9007 3.9007 11.1786 11.1786 11.8154 11.8154 11.9208 11.9208 13.3332 13.3332 k = 0.5000 0.5000 0.3333 ( 3428 PWs) bands (ev): -19.9899 -19.9899 -16.7398 -16.7398 -16.7219 -16.7219 -16.7167 -16.7167 -4.8568 -4.8568 -4.0630 -4.0630 -4.0295 -4.0295 -2.6042 -2.6042 -2.4495 -2.4495 -1.5437 -1.5437 -1.4994 -1.4994 -1.2638 -1.2638 -0.9898 -0.9898 2.1297 2.1297 2.1604 2.1604 2.2087 2.2087 2.4404 2.4404 2.4628 2.4628 2.5415 2.5415 3.4558 3.4558 3.9008 3.9008 11.2112 11.2112 11.7679 11.7679 11.8726 11.8726 13.2575 13.2575 k = 0.5000 0.5000 0.3472 ( 3440 PWs) bands (ev): -19.9896 -19.9896 -16.7370 -16.7370 -16.7215 -16.7215 -16.7165 -16.7165 -4.8620 -4.8620 -4.0679 -4.0679 -4.0396 -4.0396 -2.6039 -2.6039 -2.4709 -2.4709 -1.5404 -1.5404 -1.5028 -1.5028 -1.2662 -1.2662 -1.0190 -1.0190 2.1397 2.1397 2.1657 2.1657 2.2149 2.2149 2.4527 2.4527 2.4754 2.4754 2.5423 2.5423 3.5245 3.5245 3.9008 3.9008 11.2440 11.2440 11.7241 11.7241 11.8277 11.8277 13.1844 13.1844 k = 0.5000 0.5000 0.3611 ( 3440 PWs) bands (ev): -19.9892 -19.9892 -16.7343 -16.7343 -16.7211 -16.7211 -16.7162 -16.7162 -4.8668 -4.8668 -4.0726 -4.0726 -4.0490 -4.0490 -2.6036 -2.6036 -2.4913 -2.4913 -1.5373 -1.5373 -1.5061 -1.5061 -1.2683 -1.2683 -1.0447 -1.0447 2.1489 2.1489 2.1706 2.1706 2.2207 2.2207 2.4644 2.4644 2.4875 2.4875 2.5431 2.5431 3.5881 3.5881 3.9009 3.9009 11.2764 11.2764 11.6843 11.6843 11.7861 11.7861 13.1143 13.1143 k = 0.5000 0.5000 0.3750 ( 3432 PWs) bands (ev): -19.9889 -19.9889 -16.7320 -16.7320 -16.7205 -16.7205 -16.7160 -16.7160 -4.8714 -4.8714 -4.0768 -4.0768 -4.0577 -4.0577 -2.6033 -2.6033 -2.5105 -2.5105 -1.5346 -1.5346 -1.5091 -1.5091 -1.2702 -1.2702 -1.0673 -1.0673 2.1574 2.1574 2.1751 2.1751 2.2259 2.2259 2.4753 2.4753 2.4989 2.4989 2.5439 2.5439 3.6463 3.6463 3.9010 3.9010 11.3078 11.3078 11.6491 11.6491 11.7482 11.7482 13.0476 13.0476 k = 0.5000 0.5000 0.3889 ( 3440 PWs) bands (ev): -19.9887 -19.9887 -16.7300 -16.7300 -16.7199 -16.7199 -16.7159 -16.7159 -4.8755 -4.8755 -4.0808 -4.0808 -4.0656 -4.0656 -2.6031 -2.6031 -2.5285 -2.5285 -1.5323 -1.5323 -1.5120 -1.5120 -1.2718 -1.2718 -1.0869 -1.0869 2.1651 2.1651 2.1791 2.1791 2.2307 2.2307 2.4852 2.4852 2.5095 2.5095 2.5448 2.5448 3.6988 3.6988 3.9010 3.9010 11.3373 11.3373 11.6189 11.6189 11.7138 11.7138 12.9848 12.9848 k = 0.5000 0.5000 0.4028 ( 3432 PWs) bands (ev): -19.9884 -19.9884 -16.7283 -16.7283 -16.7192 -16.7192 -16.7157 -16.7157 -4.8793 -4.8793 -4.0843 -4.0843 -4.0726 -4.0726 -2.6029 -2.6029 -2.5449 -2.5449 -1.5302 -1.5302 -1.5146 -1.5146 -1.2732 -1.2732 -1.1037 -1.1037 2.1719 2.1719 2.1827 2.1827 2.2350 2.2350 2.4940 2.4940 2.5191 2.5191 2.5459 2.5459 3.7457 3.7457 3.9011 3.9011 11.3635 11.3635 11.5947 11.5947 11.6833 11.6833 12.9264 12.9264 k = 0.5000 0.5000 0.4167 ( 3432 PWs) bands (ev): -19.9882 -19.9882 -16.7270 -16.7270 -16.7184 -16.7184 -16.7155 -16.7155 -4.8826 -4.8826 -4.0874 -4.0874 -4.0788 -4.0788 -2.6027 -2.6027 -2.5596 -2.5596 -1.5284 -1.5284 -1.5169 -1.5169 -1.2744 -1.2744 -1.1179 -1.1179 2.1779 2.1779 2.1857 2.1857 2.2388 2.2388 2.5016 2.5016 2.5277 2.5277 2.5470 2.5470 3.7865 3.7865 3.9011 3.9011 11.3849 11.3849 11.5775 11.5775 11.6566 11.6566 12.8731 12.8731 k = 0.5000 0.5000 0.4306 ( 3424 PWs) bands (ev): -19.9880 -19.9880 -16.7260 -16.7260 -16.7176 -16.7176 -16.7154 -16.7154 -4.8855 -4.8855 -4.0900 -4.0900 -4.0840 -4.0840 -2.6026 -2.6026 -2.5722 -2.5722 -1.5270 -1.5270 -1.5189 -1.5189 -1.2754 -1.2754 -1.1296 -1.1296 2.1829 2.1829 2.1884 2.1884 2.2422 2.2422 2.5080 2.5080 2.5351 2.5351 2.5482 2.5482 3.8214 3.8214 3.9012 3.9012 11.3999 11.3999 11.5682 11.5682 11.6339 11.6339 12.8258 12.8258 k = 0.5000 0.5000 0.4444 ( 3432 PWs) bands (ev): -19.9878 -19.9878 -16.7253 -16.7253 -16.7168 -16.7168 -16.7153 -16.7153 -4.8878 -4.8878 -4.0923 -4.0923 -4.0884 -4.0884 -2.6025 -2.6025 -2.5829 -2.5829 -1.5258 -1.5258 -1.5207 -1.5207 -1.2763 -1.2763 -1.1390 -1.1390 2.1870 2.1870 2.1905 2.1905 2.2449 2.2449 2.5130 2.5130 2.5413 2.5413 2.5495 2.5495 3.8500 3.8500 3.9012 3.9012 11.4080 11.4080 11.5665 11.5665 11.6152 11.6152 12.7852 12.7852 k = 0.5000 0.5000 0.4583 ( 3448 PWs) bands (ev): -19.9877 -19.9877 -16.7249 -16.7249 -16.7161 -16.7161 -16.7152 -16.7152 -4.8897 -4.8897 -4.0940 -4.0940 -4.0918 -4.0918 -2.6025 -2.6025 -2.5914 -2.5914 -1.5250 -1.5250 -1.5221 -1.5221 -1.2769 -1.2769 -1.1462 -1.1462 2.1901 2.1901 2.1921 2.1921 2.2471 2.2471 2.5167 2.5167 2.5462 2.5462 2.5507 2.5507 3.8723 3.8723 3.9012 3.9012 11.4106 11.4106 11.5700 11.5700 11.6006 11.6006 12.7523 12.7523 k = 0.5000 0.5000 0.4722 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7245 -16.7245 -16.7156 -16.7156 -16.7152 -16.7152 -4.8911 -4.8911 -4.0952 -4.0952 -4.0943 -4.0943 -2.6024 -2.6024 -2.5974 -2.5974 -1.5244 -1.5244 -1.5231 -1.5231 -1.2774 -1.2774 -1.1513 -1.1513 2.1924 2.1924 2.1933 2.1933 2.2486 2.2486 2.5193 2.5193 2.5498 2.5498 2.5517 2.5517 3.8884 3.8884 3.9012 3.9012 11.4103 11.4103 11.5756 11.5756 11.5902 11.5902 12.7280 12.7280 k = 0.5000 0.5000 0.4861 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7244 -16.7244 -16.7153 -16.7153 -16.7152 -16.7152 -4.8919 -4.8919 -4.0960 -4.0960 -4.0957 -4.0957 -2.6023 -2.6023 -2.6011 -2.6011 -1.5240 -1.5240 -1.5237 -1.5237 -1.2776 -1.2776 -1.1543 -1.1543 2.1938 2.1938 2.1940 2.1940 2.2496 2.2496 2.5208 2.5208 2.5519 2.5519 2.5524 2.5524 3.8980 3.8980 3.9012 3.9012 11.4092 11.4092 11.5801 11.5801 11.5839 11.5839 12.7130 12.7130 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): -19.9876 -19.9876 -16.7243 -16.7243 -16.7151 -16.7151 -16.7151 -16.7151 -4.8921 -4.8921 -4.0962 -4.0962 -4.0962 -4.0962 -2.6023 -2.6023 -2.6023 -2.6023 -1.5239 -1.5239 -1.5239 -1.5239 -1.2777 -1.2777 -1.1553 -1.1553 2.1942 2.1942 2.1942 2.1942 2.2499 2.2499 2.5213 2.5213 2.5526 2.5526 2.5526 2.5526 3.9012 3.9012 3.9012 3.9012 11.4088 11.4088 11.5818 11.5818 11.5818 11.5818 12.7080 12.7080 Writing output data file RbCdF3.save init_run : 0.45s CPU 0.80s WALL ( 1 calls) electrons : 100.08s CPU 102.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 100.07s CPU 102.37s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 278 calls) cegterg : 91.57s CPU 92.78s WALL ( 325 calls) Called by sum_band: Called by *egterg: h_psi : 53.48s CPU 54.46s WALL ( 5725 calls) s_psi : 2.48s CPU 2.47s WALL ( 5725 calls) g_psi : 0.18s CPU 0.15s WALL ( 5122 calls) cdiaghg : 33.09s CPU 33.58s WALL ( 5400 calls) cegterg:over : 3.43s CPU 3.46s WALL ( 5122 calls) cegterg:upda : 2.61s CPU 2.63s WALL ( 5122 calls) cegterg:last : 1.60s CPU 1.63s WALL ( 881 calls) cdiaghg:chol : 1.83s CPU 1.85s WALL ( 5400 calls) cdiaghg:inve : 1.20s CPU 1.21s WALL ( 5400 calls) cdiaghg:para : 1.92s CPU 1.94s WALL ( 10800 calls) Called by h_psi: h_psi:vloc : 47.83s CPU 48.63s WALL ( 5725 calls) h_psi:vnl : 5.52s CPU 5.69s WALL ( 5725 calls) add_vuspsi : 2.73s CPU 2.81s WALL ( 5725 calls) General routines calbec : 2.78s CPU 2.87s WALL ( 5725 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.47s CPU 44.21s WALL ( 566508 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.18s WALL ( 556 calls) Parallel routines fft_scatter : 16.06s CPU 16.47s WALL ( 566531 calls) PWSCF : 1m52.72s CPU 2m23.57s WALL This run was terminated on: 16:46:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=