Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:48:54 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: ./RbPdF3.save/ 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 file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 79 34 10 3195 904 144 Max 80 35 12 3200 916 148 Sum 2869 1229 365 115121 32675 5257 bravais-lattice index = 14 lattice parameter (alat) = 8.1147 a.u. unit-cell volume = 534.3342 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.114672 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Rb 9.00 85.46780 Rb( 1.00) Pd 18.00 106.42000 Pd( 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= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0035088 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0035088 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0035088 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0035088 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0035088 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0035088 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0035088 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0035088 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0035088 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0035088 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0035088 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0035088 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0035088 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0035088 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0035088 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0035088 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0035088 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0035088 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0035088 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0035088 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0035088 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0035088 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0035088 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0035088 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0035088 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0035088 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0035088 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0035088 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0035088 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0035088 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0035088 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0035088 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0035088 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0035088 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0035088 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0035088 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0035088 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0035088 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0035088 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0035088 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0035088 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0035088 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0035088 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0035088 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0035088 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0035088 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0035088 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0035088 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0035088 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0035088 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0035088 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0035088 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0035088 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0035088 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0035088 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0035088 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0035088 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0035088 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0035088 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0035088 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0035088 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0035088 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0035088 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0035088 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0035088 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0035088 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0035088 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0035088 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 78) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0035088 k( 79) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0035088 k( 80) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0035088 k( 81) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0035088 k( 82) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0035088 k( 83) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0035088 k( 84) = ( 0.4326923 0.4326923 -0.0000000), wk = 0.0035088 k( 85) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0035088 k( 86) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0035088 k( 87) = ( 0.4038462 0.4038461 -0.0000000), wk = 0.0035088 k( 88) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0035088 k( 89) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0035088 k( 90) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0035088 k( 91) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0035088 k( 92) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0035088 k( 93) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0035088 k( 94) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0035088 k( 95) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0035088 k( 96) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0035088 k( 97) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0035088 k( 98) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0035088 k( 99) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0035088 k( 100) = ( 0.2788462 0.2788461 -0.0000000), wk = 0.0035088 k( 101) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0035088 k( 102) = ( 0.2596154 0.2596154 -0.0000000), wk = 0.0035088 k( 103) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035088 k( 104) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0035088 k( 105) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0035088 k( 106) = ( 0.2211539 0.2211538 -0.0000000), wk = 0.0035088 k( 107) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0035088 k( 108) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0035088 k( 109) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0035088 k( 110) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0035088 k( 111) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0035088 k( 112) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0035088 k( 113) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0035088 k( 114) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0035088 k( 115) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0035088 k( 116) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0035088 k( 117) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0035088 k( 118) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0035088 k( 119) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0035088 k( 120) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0035088 k( 121) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0035088 k( 122) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0035088 k( 123) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0035088 k( 124) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0035088 k( 125) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0035088 k( 126) = ( 0.0288462 0.0288461 -0.0000000), wk = 0.0035088 k( 127) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0035088 k( 128) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 131) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0035088 k( 132) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0035088 k( 133) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0035088 k( 134) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0035088 k( 135) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0035088 k( 136) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0035088 k( 137) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0035088 k( 138) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0035088 k( 139) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0035088 k( 140) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0035088 k( 141) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0035088 k( 142) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0035088 k( 143) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0035088 k( 144) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0035088 k( 145) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0035088 k( 146) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0035088 k( 147) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0035088 k( 148) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0035088 k( 149) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0035088 k( 150) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0035088 k( 151) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0035088 k( 152) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0035088 k( 153) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0035088 k( 154) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0035088 k( 155) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0035088 k( 156) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0035088 k( 157) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0035088 k( 158) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0035088 k( 159) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0035088 k( 160) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0035088 k( 161) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0035088 k( 162) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 163) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0035088 k( 164) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0035088 k( 165) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0035088 k( 166) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0035088 k( 167) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0035088 k( 168) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0035088 k( 169) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0035088 k( 170) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0035088 k( 171) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0035088 k( 172) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0035088 k( 173) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0035088 k( 174) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0035088 k( 175) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0035088 k( 176) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0035088 k( 177) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0035088 k( 178) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0035088 k( 179) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0035088 k( 180) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0035088 k( 181) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0035088 k( 182) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0035088 k( 183) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0035088 k( 184) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0035088 k( 185) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0035088 k( 186) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0035088 k( 187) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0035088 k( 188) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0035088 k( 189) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0035088 k( 190) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0035088 k( 191) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0035088 k( 192) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0035088 k( 193) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0035088 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 196) = ( 0.4903846 0.5000000 0.4903846), wk = 0.0035088 k( 197) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0035088 k( 198) = ( 0.4711538 0.5000000 0.4711538), wk = 0.0035088 k( 199) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0035088 k( 200) = ( 0.4519231 0.5000000 0.4519231), wk = 0.0035088 k( 201) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0035088 k( 202) = ( 0.4326923 0.5000000 0.4326923), wk = 0.0035088 k( 203) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0035088 k( 204) = ( 0.4134615 0.5000000 0.4134615), wk = 0.0035088 k( 205) = ( 0.4038462 0.5000000 0.4038461), wk = 0.0035088 k( 206) = ( 0.3942308 0.5000000 0.3942308), wk = 0.0035088 k( 207) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0035088 k( 208) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0035088 k( 209) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0035088 k( 210) = ( 0.3557692 0.5000000 0.3557692), wk = 0.0035088 k( 211) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0035088 k( 212) = ( 0.3365385 0.5000000 0.3365385), wk = 0.0035088 k( 213) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0035088 k( 214) = ( 0.3173077 0.5000000 0.3173077), wk = 0.0035088 k( 215) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0035088 k( 216) = ( 0.2980769 0.5000000 0.2980769), wk = 0.0035088 k( 217) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0035088 k( 218) = ( 0.2788462 0.5000000 0.2788461), wk = 0.0035088 k( 219) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0035088 k( 220) = ( 0.2596154 0.5000000 0.2596154), wk = 0.0035088 k( 221) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0035088 k( 222) = ( 0.2403846 0.5000000 0.2403846), wk = 0.0035088 k( 223) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0035088 k( 224) = ( 0.2211539 0.5000000 0.2211538), wk = 0.0035088 k( 225) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0035088 k( 226) = ( 0.2019231 0.5000000 0.2019231), wk = 0.0035088 k( 227) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0035088 k( 228) = ( 0.1826923 0.5000000 0.1826923), wk = 0.0035088 k( 229) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0035088 k( 230) = ( 0.1634615 0.5000000 0.1634615), wk = 0.0035088 k( 231) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0035088 k( 232) = ( 0.1442308 0.5000000 0.1442308), wk = 0.0035088 k( 233) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0035088 k( 234) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0035088 k( 235) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0035088 k( 236) = ( 0.1057692 0.5000000 0.1057692), wk = 0.0035088 k( 237) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0035088 k( 238) = ( 0.0865385 0.5000000 0.0865385), wk = 0.0035088 k( 239) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0035088 k( 240) = ( 0.0673077 0.5000000 0.0673077), wk = 0.0035088 k( 241) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0035088 k( 242) = ( 0.0480769 0.5000000 0.0480769), wk = 0.0035088 k( 243) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0035088 k( 244) = ( 0.0288462 0.5000000 0.0288461), wk = 0.0035088 k( 245) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0035088 k( 246) = ( 0.0096154 0.5000000 0.0096154), wk = 0.0035088 k( 247) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0035088 k( 269) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0035088 k( 271) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0035088 k( 273) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0035088 k( 274) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0035088 k( 275) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0035088 k( 276) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0035088 k( 277) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0035088 k( 278) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0035088 k( 279) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0035088 k( 280) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0035088 k( 281) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0035088 k( 282) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0035088 k( 283) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0035088 k( 284) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0035088 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0035088 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0035088 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0035088 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0035088 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0035088 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0035088 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0035088 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0035088 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0035088 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0035088 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0035088 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0035088 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0035088 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0035088 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0035088 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0035088 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0035088 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0035088 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0035088 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0035088 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0035088 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0035088 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0035088 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0035088 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0035088 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0035088 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0035088 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0035088 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0035088 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0035088 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0035088 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0035088 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0035088 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0035088 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0035088 k( 37) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0035088 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0035088 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0035088 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0035088 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0035088 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0035088 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0035088 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0035088 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0035088 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0035088 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0035088 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0035088 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0035088 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0035088 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0035088 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0035088 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0035088 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0035088 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0035088 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0035088 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0035088 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0035088 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0035088 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0035088 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0035088 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0035088 k( 65) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0035088 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0035088 k( 67) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0035088 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0035088 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0035088 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0035088 k( 71) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0035088 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0035088 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0035088 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0035088 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0035088 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 78) = ( 0.4903846 0.4903846 0.0000000), wk = 0.0035088 k( 79) = ( 0.4807692 0.4807692 0.0000000), wk = 0.0035088 k( 80) = ( 0.4711538 0.4711538 0.0000000), wk = 0.0035088 k( 81) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0035088 k( 82) = ( 0.4519231 0.4519231 0.0000000), wk = 0.0035088 k( 83) = ( 0.4423077 0.4423077 0.0000000), wk = 0.0035088 k( 84) = ( 0.4326923 0.4326923 0.0000000), wk = 0.0035088 k( 85) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0035088 k( 86) = ( 0.4134615 0.4134615 0.0000000), wk = 0.0035088 k( 87) = ( 0.4038462 0.4038462 0.0000000), wk = 0.0035088 k( 88) = ( 0.3942308 0.3942308 0.0000000), wk = 0.0035088 k( 89) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0035088 k( 90) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0035088 k( 91) = ( 0.3653846 0.3653846 0.0000000), wk = 0.0035088 k( 92) = ( 0.3557692 0.3557692 0.0000000), wk = 0.0035088 k( 93) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0035088 k( 94) = ( 0.3365385 0.3365385 0.0000000), wk = 0.0035088 k( 95) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0035088 k( 96) = ( 0.3173077 0.3173077 0.0000000), wk = 0.0035088 k( 97) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0035088 k( 98) = ( 0.2980769 0.2980769 0.0000000), wk = 0.0035088 k( 99) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0035088 k( 100) = ( 0.2788462 0.2788462 0.0000000), wk = 0.0035088 k( 101) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0035088 k( 102) = ( 0.2596154 0.2596154 0.0000000), wk = 0.0035088 k( 103) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035088 k( 104) = ( 0.2403846 0.2403846 0.0000000), wk = 0.0035088 k( 105) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0035088 k( 106) = ( 0.2211539 0.2211539 0.0000000), wk = 0.0035088 k( 107) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0035088 k( 108) = ( 0.2019231 0.2019231 0.0000000), wk = 0.0035088 k( 109) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0035088 k( 110) = ( 0.1826923 0.1826923 0.0000000), wk = 0.0035088 k( 111) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0035088 k( 112) = ( 0.1634615 0.1634615 0.0000000), wk = 0.0035088 k( 113) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0035088 k( 114) = ( 0.1442308 0.1442308 0.0000000), wk = 0.0035088 k( 115) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0035088 k( 116) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035088 k( 117) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0035088 k( 118) = ( 0.1057692 0.1057692 0.0000000), wk = 0.0035088 k( 119) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0035088 k( 120) = ( 0.0865385 0.0865385 0.0000000), wk = 0.0035088 k( 121) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0035088 k( 122) = ( 0.0673077 0.0673077 0.0000000), wk = 0.0035088 k( 123) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0035088 k( 124) = ( 0.0480769 0.0480769 0.0000000), wk = 0.0035088 k( 125) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0035088 k( 126) = ( 0.0288462 0.0288462 0.0000000), wk = 0.0035088 k( 127) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0035088 k( 128) = ( 0.0096154 0.0096154 0.0000000), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 131) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0035088 k( 132) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0035088 k( 133) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0035088 k( 134) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0035088 k( 135) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0035088 k( 136) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0035088 k( 137) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0035088 k( 138) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0035088 k( 139) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0035088 k( 140) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0035088 k( 141) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0035088 k( 142) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0035088 k( 143) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0035088 k( 144) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0035088 k( 145) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0035088 k( 146) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0035088 k( 147) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0035088 k( 148) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0035088 k( 149) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0035088 k( 150) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0035088 k( 151) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0035088 k( 152) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0035088 k( 153) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0035088 k( 154) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0035088 k( 155) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0035088 k( 156) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0035088 k( 157) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0035088 k( 158) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0035088 k( 159) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0035088 k( 160) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0035088 k( 161) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0035088 k( 162) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 163) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0035088 k( 164) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0035088 k( 165) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0035088 k( 166) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0035088 k( 167) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0035088 k( 168) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0035088 k( 169) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0035088 k( 170) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0035088 k( 171) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0035088 k( 172) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0035088 k( 173) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0035088 k( 174) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0035088 k( 175) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0035088 k( 176) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0035088 k( 177) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0035088 k( 178) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0035088 k( 179) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0035088 k( 180) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0035088 k( 181) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0035088 k( 182) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0035088 k( 183) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0035088 k( 184) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0035088 k( 185) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0035088 k( 186) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0035088 k( 187) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0035088 k( 188) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0035088 k( 189) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0035088 k( 190) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0035088 k( 191) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0035088 k( 192) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0035088 k( 193) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0035088 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 196) = ( 0.4903846 0.5000000 0.4903846), wk = 0.0035088 k( 197) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0035088 k( 198) = ( 0.4711538 0.5000000 0.4711538), wk = 0.0035088 k( 199) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0035088 k( 200) = ( 0.4519231 0.5000000 0.4519231), wk = 0.0035088 k( 201) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0035088 k( 202) = ( 0.4326923 0.5000000 0.4326923), wk = 0.0035088 k( 203) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0035088 k( 204) = ( 0.4134615 0.5000000 0.4134615), wk = 0.0035088 k( 205) = ( 0.4038462 0.5000000 0.4038462), wk = 0.0035088 k( 206) = ( 0.3942308 0.5000000 0.3942308), wk = 0.0035088 k( 207) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0035088 k( 208) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0035088 k( 209) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0035088 k( 210) = ( 0.3557692 0.5000000 0.3557692), wk = 0.0035088 k( 211) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0035088 k( 212) = ( 0.3365385 0.5000000 0.3365385), wk = 0.0035088 k( 213) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0035088 k( 214) = ( 0.3173077 0.5000000 0.3173077), wk = 0.0035088 k( 215) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0035088 k( 216) = ( 0.2980769 0.5000000 0.2980769), wk = 0.0035088 k( 217) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0035088 k( 218) = ( 0.2788462 0.5000000 0.2788462), wk = 0.0035088 k( 219) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0035088 k( 220) = ( 0.2596154 0.5000000 0.2596154), wk = 0.0035088 k( 221) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0035088 k( 222) = ( 0.2403846 0.5000000 0.2403846), wk = 0.0035088 k( 223) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0035088 k( 224) = ( 0.2211539 0.5000000 0.2211539), wk = 0.0035088 k( 225) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0035088 k( 226) = ( 0.2019231 0.5000000 0.2019231), wk = 0.0035088 k( 227) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0035088 k( 228) = ( 0.1826923 0.5000000 0.1826923), wk = 0.0035088 k( 229) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0035088 k( 230) = ( 0.1634615 0.5000000 0.1634615), wk = 0.0035088 k( 231) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0035088 k( 232) = ( 0.1442308 0.5000000 0.1442308), wk = 0.0035088 k( 233) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0035088 k( 234) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0035088 k( 235) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0035088 k( 236) = ( 0.1057692 0.5000000 0.1057692), wk = 0.0035088 k( 237) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0035088 k( 238) = ( 0.0865385 0.5000000 0.0865385), wk = 0.0035088 k( 239) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0035088 k( 240) = ( 0.0673077 0.5000000 0.0673077), wk = 0.0035088 k( 241) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0035088 k( 242) = ( 0.0480769 0.5000000 0.0480769), wk = 0.0035088 k( 243) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0035088 k( 244) = ( 0.0288462 0.5000000 0.0288462), wk = 0.0035088 k( 245) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0035088 k( 246) = ( 0.0096154 0.5000000 0.0096154), wk = 0.0035088 k( 247) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0035088 k( 269) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0035088 k( 271) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0035088 k( 273) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0035088 k( 274) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0035088 k( 275) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0035088 k( 276) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0035088 k( 277) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0035088 k( 278) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0035088 k( 279) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0035088 k( 280) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0035088 k( 281) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0035088 k( 282) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0035088 k( 283) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0035088 k( 284) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0035088 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 Dense grid: 115121 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 32675 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 238, 58) NL pseudopotentials 0.20 Mb ( 119, 110) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 3197) G-vector shells 0.00 Mb ( 628) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 238, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.19 Mb ( 110, 2, 58) The potential is recalculated from file : ./RbPdF3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.7 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.6 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.7 secs Computing kpt #: 29 total cpu time spent up to now is 18.2 secs Computing kpt #: 30 total cpu time spent up to now is 18.7 secs Computing kpt #: 31 total cpu time spent up to now is 19.2 secs Computing kpt #: 32 total cpu time spent up to now is 19.7 secs Computing kpt #: 33 total cpu time spent up to now is 20.1 secs Computing kpt #: 34 total cpu time spent up to now is 20.6 secs Computing kpt #: 35 total cpu time spent up to now is 21.1 secs Computing kpt #: 36 total cpu time spent up to now is 21.6 secs Computing kpt #: 37 total cpu time spent up to now is 22.0 secs Computing kpt #: 38 total cpu time spent up to now is 22.5 secs Computing kpt #: 39 total cpu time spent up to now is 23.0 secs Computing kpt #: 40 total cpu time spent up to now is 23.5 secs Computing kpt #: 41 total cpu time spent up to now is 24.0 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 24.8 secs Computing kpt #: 44 total cpu time spent up to now is 25.3 secs Computing kpt #: 45 total cpu time spent up to now is 25.7 secs Computing kpt #: 46 total cpu time spent up to now is 26.2 secs Computing kpt #: 47 total cpu time spent up to now is 26.6 secs Computing kpt #: 48 total cpu time spent up to now is 27.0 secs Computing kpt #: 49 total cpu time spent up to now is 27.4 secs Computing kpt #: 50 total cpu time spent up to now is 27.8 secs Computing kpt #: 51 total cpu time spent up to now is 28.2 secs Computing kpt #: 52 total cpu time spent up to now is 28.6 secs Computing kpt #: 53 total cpu time spent up to now is 29.1 secs Computing kpt #: 54 total cpu time spent up to now is 29.5 secs Computing kpt #: 55 total cpu time spent up to now is 29.9 secs Computing kpt #: 56 total cpu time spent up to now is 30.3 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.1 secs Computing kpt #: 59 total cpu time spent up to now is 31.5 secs Computing kpt #: 60 total cpu time spent up to now is 31.9 secs Computing kpt #: 61 total cpu time spent up to now is 32.3 secs Computing kpt #: 62 total cpu time spent up to now is 32.7 secs Computing kpt #: 63 total cpu time spent up to now is 33.1 secs Computing kpt #: 64 total cpu time spent up to now is 33.5 secs Computing kpt #: 65 total cpu time spent up to now is 33.9 secs Computing kpt #: 66 total cpu time spent up to now is 34.3 secs Computing kpt #: 67 total cpu time spent up to now is 34.7 secs Computing kpt #: 68 total cpu time spent up to now is 35.1 secs Computing kpt #: 69 total cpu time spent up to now is 35.5 secs Computing kpt #: 70 total cpu time spent up to now is 35.9 secs Computing kpt #: 71 total cpu time spent up to now is 36.3 secs Computing kpt #: 72 total cpu time spent up to now is 36.7 secs Computing kpt #: 73 total cpu time spent up to now is 37.1 secs Computing kpt #: 74 total cpu time spent up to now is 37.5 secs Computing kpt #: 75 total cpu time spent up to now is 37.8 secs Computing kpt #: 76 total cpu time spent up to now is 38.2 secs Computing kpt #: 77 total cpu time spent up to now is 38.6 secs Computing kpt #: 78 total cpu time spent up to now is 39.0 secs Computing kpt #: 79 total cpu time spent up to now is 39.4 secs Computing kpt #: 80 total cpu time spent up to now is 39.7 secs Computing kpt #: 81 total cpu time spent up to now is 40.1 secs Computing kpt #: 82 total cpu time spent up to now is 40.5 secs Computing kpt #: 83 total cpu time spent up to now is 40.9 secs Computing kpt #: 84 total cpu time spent up to now is 41.3 secs Computing kpt #: 85 total cpu time spent up to now is 41.7 secs Computing kpt #: 86 total cpu time spent up to now is 42.1 secs Computing kpt #: 87 total cpu time spent up to now is 42.5 secs Computing kpt #: 88 total cpu time spent up to now is 42.9 secs Computing kpt #: 89 total cpu time spent up to now is 43.3 secs Computing kpt #: 90 total cpu time spent up to now is 43.7 secs Computing kpt #: 91 total cpu time spent up to now is 44.1 secs Computing kpt #: 92 total cpu time spent up to now is 44.6 secs Computing kpt #: 93 total cpu time spent up to now is 45.0 secs Computing kpt #: 94 total cpu time spent up to now is 45.4 secs Computing kpt #: 95 total cpu time spent up to now is 45.8 secs Computing kpt #: 96 total cpu time spent up to now is 46.2 secs Computing kpt #: 97 total cpu time spent up to now is 46.6 secs Computing kpt #: 98 total cpu time spent up to now is 47.0 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 47.8 secs Computing kpt #: 101 total cpu time spent up to now is 48.2 secs Computing kpt #: 102 total cpu time spent up to now is 48.6 secs Computing kpt #: 103 total cpu time spent up to now is 49.0 secs Computing kpt #: 104 total cpu time spent up to now is 49.4 secs Computing kpt #: 105 total cpu time spent up to now is 49.9 secs Computing kpt #: 106 total cpu time spent up to now is 50.3 secs Computing kpt #: 107 total cpu time spent up to now is 50.7 secs Computing kpt #: 108 total cpu time spent up to now is 51.1 secs Computing kpt #: 109 total cpu time spent up to now is 51.5 secs Computing kpt #: 110 total cpu time spent up to now is 52.0 secs Computing kpt #: 111 total cpu time spent up to now is 52.4 secs Computing kpt #: 112 total cpu time spent up to now is 52.8 secs Computing kpt #: 113 total cpu time spent up to now is 53.2 secs Computing kpt #: 114 total cpu time spent up to now is 53.7 secs Computing kpt #: 115 total cpu time spent up to now is 54.1 secs Computing kpt #: 116 total cpu time spent up to now is 54.6 secs Computing kpt #: 117 total cpu time spent up to now is 55.0 secs Computing kpt #: 118 total cpu time spent up to now is 55.5 secs Computing kpt #: 119 total cpu time spent up to now is 56.0 secs Computing kpt #: 120 total cpu time spent up to now is 56.5 secs Computing kpt #: 121 total cpu time spent up to now is 56.9 secs Computing kpt #: 122 total cpu time spent up to now is 57.4 secs Computing kpt #: 123 total cpu time spent up to now is 57.9 secs Computing kpt #: 124 total cpu time spent up to now is 58.4 secs Computing kpt #: 125 total cpu time spent up to now is 58.9 secs Computing kpt #: 126 total cpu time spent up to now is 59.6 secs Computing kpt #: 127 total cpu time spent up to now is 60.1 secs Computing kpt #: 128 total cpu time spent up to now is 60.6 secs Computing kpt #: 129 total cpu time spent up to now is 61.0 secs Computing kpt #: 130 total cpu time spent up to now is 61.4 secs Computing kpt #: 131 total cpu time spent up to now is 62.0 secs Computing kpt #: 132 total cpu time spent up to now is 62.7 secs Computing kpt #: 133 total cpu time spent up to now is 63.2 secs Computing kpt #: 134 total cpu time spent up to now is 63.7 secs Computing kpt #: 135 total cpu time spent up to now is 64.2 secs Computing kpt #: 136 total cpu time spent up to now is 64.7 secs Computing kpt #: 137 total cpu time spent up to now is 65.8 secs Computing kpt #: 138 total cpu time spent up to now is 66.3 secs Computing kpt #: 139 total cpu time spent up to now is 66.8 secs Computing kpt #: 140 total cpu time spent up to now is 67.2 secs Computing kpt #: 141 total cpu time spent up to now is 67.6 secs Computing kpt #: 142 total cpu time spent up to now is 68.0 secs Computing kpt #: 143 total cpu time spent up to now is 68.5 secs Computing kpt #: 144 total cpu time spent up to now is 68.9 secs Computing kpt #: 145 total cpu time spent up to now is 69.3 secs Computing kpt #: 146 total cpu time spent up to now is 69.7 secs Computing kpt #: 147 total cpu time spent up to now is 70.2 secs Computing kpt #: 148 total cpu time spent up to now is 70.6 secs Computing kpt #: 149 total cpu time spent up to now is 71.0 secs Computing kpt #: 150 total cpu time spent up to now is 71.4 secs Computing kpt #: 151 total cpu time spent up to now is 71.8 secs Computing kpt #: 152 total cpu time spent up to now is 72.2 secs Computing kpt #: 153 total cpu time spent up to now is 72.6 secs Computing kpt #: 154 total cpu time spent up to now is 73.0 secs Computing kpt #: 155 total cpu time spent up to now is 73.4 secs Computing kpt #: 156 total cpu time spent up to now is 73.9 secs Computing kpt #: 157 total cpu time spent up to now is 74.3 secs Computing kpt #: 158 total cpu time spent up to now is 74.7 secs Computing kpt #: 159 total cpu time spent up to now is 75.2 secs Computing kpt #: 160 total cpu time spent up to now is 75.6 secs Computing kpt #: 161 total cpu time spent up to now is 76.0 secs Computing kpt #: 162 total cpu time spent up to now is 76.5 secs Computing kpt #: 163 total cpu time spent up to now is 76.9 secs Computing kpt #: 164 total cpu time spent up to now is 77.3 secs Computing kpt #: 165 total cpu time spent up to now is 77.8 secs Computing kpt #: 166 total cpu time spent up to now is 78.2 secs Computing kpt #: 167 total cpu time spent up to now is 78.6 secs Computing kpt #: 168 total cpu time spent up to now is 79.1 secs Computing kpt #: 169 total cpu time spent up to now is 79.5 secs Computing kpt #: 170 total cpu time spent up to now is 79.9 secs Computing kpt #: 171 total cpu time spent up to now is 80.3 secs Computing kpt #: 172 total cpu time spent up to now is 80.8 secs Computing kpt #: 173 total cpu time spent up to now is 81.2 secs Computing kpt #: 174 total cpu time spent up to now is 81.6 secs Computing kpt #: 175 total cpu time spent up to now is 82.0 secs Computing kpt #: 176 total cpu time spent up to now is 82.4 secs Computing kpt #: 177 total cpu time spent up to now is 82.8 secs Computing kpt #: 178 total cpu time spent up to now is 83.2 secs Computing kpt #: 179 total cpu time spent up to now is 83.6 secs Computing kpt #: 180 total cpu time spent up to now is 84.0 secs Computing kpt #: 181 total cpu time spent up to now is 84.4 secs Computing kpt #: 182 total cpu time spent up to now is 84.8 secs Computing kpt #: 183 total cpu time spent up to now is 85.2 secs Computing kpt #: 184 total cpu time spent up to now is 85.6 secs Computing kpt #: 185 total cpu time spent up to now is 86.1 secs Computing kpt #: 186 total cpu time spent up to now is 86.5 secs Computing kpt #: 187 total cpu time spent up to now is 86.8 secs Computing kpt #: 188 total cpu time spent up to now is 87.2 secs Computing kpt #: 189 total cpu time spent up to now is 87.6 secs Computing kpt #: 190 total cpu time spent up to now is 88.0 secs Computing kpt #: 191 total cpu time spent up to now is 88.4 secs Computing kpt #: 192 total cpu time spent up to now is 88.8 secs Computing kpt #: 193 total cpu time spent up to now is 89.2 secs Computing kpt #: 194 total cpu time spent up to now is 89.5 secs Computing kpt #: 195 total cpu time spent up to now is 89.9 secs Computing kpt #: 196 total cpu time spent up to now is 90.3 secs Computing kpt #: 197 total cpu time spent up to now is 90.7 secs Computing kpt #: 198 total cpu time spent up to now is 91.1 secs Computing kpt #: 199 total cpu time spent up to now is 91.5 secs Computing kpt #: 200 total cpu time spent up to now is 91.8 secs Computing kpt #: 201 total cpu time spent up to now is 92.2 secs Computing kpt #: 202 total cpu time spent up to now is 92.6 secs Computing kpt #: 203 total cpu time spent up to now is 93.0 secs Computing kpt #: 204 total cpu time spent up to now is 93.4 secs Computing kpt #: 205 total cpu time spent up to now is 93.8 secs Computing kpt #: 206 total cpu time spent up to now is 94.2 secs Computing kpt #: 207 total cpu time spent up to now is 94.6 secs Computing kpt #: 208 total cpu time spent up to now is 95.1 secs Computing kpt #: 209 total cpu time spent up to now is 95.6 secs Computing kpt #: 210 total cpu time spent up to now is 96.1 secs Computing kpt #: 211 total cpu time spent up to now is 96.6 secs Computing kpt #: 212 total cpu time spent up to now is 97.1 secs Computing kpt #: 213 total cpu time spent up to now is 97.6 secs Computing kpt #: 214 total cpu time spent up to now is 98.2 secs Computing kpt #: 215 total cpu time spent up to now is 98.7 secs Computing kpt #: 216 total cpu time spent up to now is 99.2 secs Computing kpt #: 217 total cpu time spent up to now is 99.7 secs Computing kpt #: 218 total cpu time spent up to now is 100.9 secs Computing kpt #: 219 total cpu time spent up to now is 101.3 secs Computing kpt #: 220 total cpu time spent up to now is 101.7 secs Computing kpt #: 221 total cpu time spent up to now is 102.2 secs Computing kpt #: 222 total cpu time spent up to now is 102.6 secs Computing kpt #: 223 total cpu time spent up to now is 103.0 secs Computing kpt #: 224 total cpu time spent up to now is 103.4 secs Computing kpt #: 225 total cpu time spent up to now is 103.8 secs Computing kpt #: 226 total cpu time spent up to now is 104.2 secs Computing kpt #: 227 total cpu time spent up to now is 104.6 secs Computing kpt #: 228 total cpu time spent up to now is 105.0 secs Computing kpt #: 229 total cpu time spent up to now is 105.4 secs Computing kpt #: 230 total cpu time spent up to now is 105.8 secs Computing kpt #: 231 total cpu time spent up to now is 106.1 secs Computing kpt #: 232 total cpu time spent up to now is 106.6 secs Computing kpt #: 233 total cpu time spent up to now is 107.0 secs Computing kpt #: 234 total cpu time spent up to now is 107.4 secs Computing kpt #: 235 total cpu time spent up to now is 107.8 secs Computing kpt #: 236 total cpu time spent up to now is 108.3 secs Computing kpt #: 237 total cpu time spent up to now is 108.7 secs Computing kpt #: 238 total cpu time spent up to now is 109.1 secs Computing kpt #: 239 total cpu time spent up to now is 109.5 secs Computing kpt #: 240 total cpu time spent up to now is 110.0 secs Computing kpt #: 241 total cpu time spent up to now is 110.5 secs Computing kpt #: 242 total cpu time spent up to now is 110.9 secs Computing kpt #: 243 total cpu time spent up to now is 111.3 secs Computing kpt #: 244 total cpu time spent up to now is 111.8 secs Computing kpt #: 245 total cpu time spent up to now is 112.3 secs Computing kpt #: 246 total cpu time spent up to now is 112.8 secs Computing kpt #: 247 total cpu time spent up to now is 113.2 secs Computing kpt #: 248 total cpu time spent up to now is 113.6 secs Computing kpt #: 249 total cpu time spent up to now is 113.9 secs Computing kpt #: 250 total cpu time spent up to now is 114.3 secs Computing kpt #: 251 total cpu time spent up to now is 114.7 secs Computing kpt #: 252 total cpu time spent up to now is 115.1 secs Computing kpt #: 253 total cpu time spent up to now is 115.5 secs Computing kpt #: 254 total cpu time spent up to now is 115.9 secs Computing kpt #: 255 total cpu time spent up to now is 116.2 secs Computing kpt #: 256 total cpu time spent up to now is 116.6 secs Computing kpt #: 257 total cpu time spent up to now is 117.0 secs Computing kpt #: 258 total cpu time spent up to now is 117.3 secs Computing kpt #: 259 total cpu time spent up to now is 117.7 secs Computing kpt #: 260 total cpu time spent up to now is 118.1 secs Computing kpt #: 261 total cpu time spent up to now is 118.4 secs Computing kpt #: 262 total cpu time spent up to now is 118.8 secs Computing kpt #: 263 total cpu time spent up to now is 119.2 secs Computing kpt #: 264 total cpu time spent up to now is 119.6 secs Computing kpt #: 265 total cpu time spent up to now is 119.9 secs Computing kpt #: 266 total cpu time spent up to now is 120.3 secs Computing kpt #: 267 total cpu time spent up to now is 120.7 secs Computing kpt #: 268 total cpu time spent up to now is 121.1 secs Computing kpt #: 269 total cpu time spent up to now is 121.5 secs Computing kpt #: 270 total cpu time spent up to now is 121.9 secs Computing kpt #: 271 total cpu time spent up to now is 122.3 secs Computing kpt #: 272 total cpu time spent up to now is 122.7 secs Computing kpt #: 273 total cpu time spent up to now is 123.2 secs Computing kpt #: 274 total cpu time spent up to now is 123.7 secs Computing kpt #: 275 total cpu time spent up to now is 124.1 secs Computing kpt #: 276 total cpu time spent up to now is 124.5 secs Computing kpt #: 277 total cpu time spent up to now is 124.9 secs Computing kpt #: 278 total cpu time spent up to now is 125.3 secs Computing kpt #: 279 total cpu time spent up to now is 125.7 secs Computing kpt #: 280 total cpu time spent up to now is 126.1 secs Computing kpt #: 281 total cpu time spent up to now is 126.4 secs Computing kpt #: 282 total cpu time spent up to now is 126.8 secs Computing kpt #: 283 total cpu time spent up to now is 127.2 secs Computing kpt #: 284 total cpu time spent up to now is 127.5 secs Computing kpt #: 285 total cpu time spent up to now is 127.9 secs ethr = 2.08E-08, avg # of iterations = 18.3 total cpu time spent up to now is 127.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4528 -18.4528 -15.9854 -15.9854 -15.7311 -15.7311 -15.7311 -15.7311 -3.1263 -3.1263 -2.2783 -2.2783 -2.2783 -2.2783 1.7616 1.7616 1.8623 1.8623 1.8623 1.8623 3.1805 3.1805 3.1805 3.1805 3.2096 3.2096 3.2980 3.2980 3.3874 3.3874 3.3874 3.3874 4.9011 4.9011 4.9011 4.9011 5.2546 5.2546 5.7899 5.7899 5.7899 5.7899 9.9950 9.9950 13.6073 13.6073 13.6073 13.6073 16.5351 16.5351 k = 0.0000 0.0135-0.0000 ( 4067 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4527 -18.4527 -15.9853 -15.9853 -15.7310 -15.7310 -15.7310 -15.7310 -3.1262 -3.1262 -2.2783 -2.2783 -2.2782 -2.2782 1.7607 1.7607 1.8603 1.8603 1.8623 1.8623 3.1794 3.1794 3.1800 3.1800 3.2089 3.2089 3.2967 3.2967 3.3853 3.3853 3.3866 3.3866 4.9018 4.9018 4.9035 4.9035 5.2559 5.2559 5.7900 5.7900 5.7942 5.7942 9.9981 9.9981 13.6087 13.6087 13.6094 13.6094 16.5338 16.5338 k = 0.0000 0.0270-0.0000 ( 4051 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4524 -18.4524 -15.9849 -15.9849 -15.7310 -15.7310 -15.7310 -15.7310 -3.1261 -3.1261 -2.2783 -2.2783 -2.2778 -2.2778 1.7577 1.7577 1.8547 1.8547 1.8623 1.8623 3.1762 3.1762 3.1786 3.1786 3.2067 3.2067 3.2929 3.2929 3.3792 3.3792 3.3842 3.3842 4.9037 4.9037 4.9106 4.9106 5.2596 5.2596 5.7902 5.7902 5.8072 5.8072 10.0076 10.0076 13.6128 13.6128 13.6156 13.6156 16.5296 16.5296 k = 0.0000 0.0405-0.0000 ( 4051 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4025 -41.4025 -18.4521 -18.4521 -15.9844 -15.9844 -15.7310 -15.7310 -15.7310 -15.7310 -3.1258 -3.1258 -2.2782 -2.2782 -2.2771 -2.2771 1.7518 1.7518 1.8462 1.8462 1.8623 1.8623 3.1707 3.1707 3.1758 3.1758 3.2032 3.2032 3.2863 3.2863 3.3695 3.3695 3.3804 3.3804 4.9068 4.9068 4.9220 4.9220 5.2658 5.2658 5.7905 5.7905 5.8281 5.8281 10.0233 10.0233 13.6197 13.6197 13.6258 13.6258 16.5228 16.5228 k = 0.0000 0.0541-0.0000 ( 4047 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4025 -41.4025 -18.4516 -18.4516 -15.9838 -15.9838 -15.7309 -15.7309 -15.7309 -15.7309 -3.1255 -3.1255 -2.2782 -2.2782 -2.2761 -2.2761 1.7418 1.7418 1.8362 1.8362 1.8624 1.8624 3.1629 3.1629 3.1717 3.1717 3.1986 3.1986 3.2768 3.2768 3.3572 3.3572 3.3752 3.3752 4.9109 4.9109 4.9376 4.9376 5.2744 5.2744 5.7910 5.7910 5.8568 5.8568 10.0453 10.0453 13.6292 13.6292 13.6399 13.6399 16.5134 16.5134 k = 0.0000 0.0676-0.0000 ( 4047 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4025 -41.4025 -18.4509 -18.4509 -15.9829 -15.9829 -15.7309 -15.7309 -15.7308 -15.7308 -3.1251 -3.1251 -2.2781 -2.2781 -2.2749 -2.2749 1.7260 1.7260 1.8267 1.8267 1.8624 1.8624 3.1528 3.1528 3.1657 3.1657 3.1932 3.1932 3.2641 3.2641 3.3437 3.3437 3.3690 3.3690 4.9158 4.9158 4.9569 4.9569 5.2855 5.2855 5.7916 5.7916 5.8926 5.8926 10.0734 10.0734 13.6414 13.6414 13.6579 13.6579 16.5016 16.5016 k = 0.0000 0.0811-0.0000 ( 4044 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4025 -41.4025 -18.4501 -18.4501 -15.9818 -15.9818 -15.7308 -15.7308 -15.7306 -15.7306 -3.1246 -3.1246 -2.2780 -2.2780 -2.2734 -2.2734 1.7033 1.7033 1.8190 1.8190 1.8623 1.8623 3.1402 3.1402 3.1573 3.1573 3.1876 3.1876 3.2478 3.2478 3.3300 3.3300 3.3620 3.3620 4.9213 4.9213 4.9796 4.9796 5.2991 5.2991 5.7923 5.7923 5.9347 5.9347 10.1077 10.1077 13.6561 13.6561 13.6795 13.6795 16.4875 16.4875 k = 0.0000 0.0946-0.0000 ( 4044 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4025 -41.4025 -18.4492 -18.4492 -15.9806 -15.9806 -15.7307 -15.7307 -15.7304 -15.7304 -3.1240 -3.1240 -2.2779 -2.2779 -2.2717 -2.2717 1.6736 1.6736 1.8135 1.8135 1.8623 1.8623 3.1252 3.1252 3.1464 3.1464 3.1820 3.1820 3.2280 3.2280 3.3172 3.3172 3.3545 3.3545 4.9271 4.9271 5.0053 5.0053 5.3151 5.3151 5.7931 5.7931 5.9824 5.9824 10.1480 10.1480 13.6734 13.6734 13.7044 13.7044 16.4715 16.4715 k = 0.0000 0.1081-0.0000 ( 4056 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4028 -41.4028 -41.4025 -41.4025 -18.4482 -18.4482 -15.9793 -15.9793 -15.7306 -15.7306 -15.7302 -15.7302 -3.1233 -3.1233 -2.2778 -2.2778 -2.2698 -2.2698 1.6377 1.6377 1.8098 1.8098 1.8623 1.8623 3.1081 3.1081 3.1330 3.1330 3.1765 3.1765 3.2049 3.2049 3.3056 3.3056 3.3465 3.3465 4.9330 4.9330 5.0335 5.0335 5.3333 5.3333 5.7940 5.7940 6.0346 6.0346 10.1943 10.1943 13.6930 13.6930 13.7325 13.7325 16.4538 16.4538 k = 0.0000 0.1216-0.0000 ( 4048 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4028 -41.4028 -41.4025 -41.4025 -18.4470 -18.4470 -15.9778 -15.9778 -15.7305 -15.7305 -15.7299 -15.7299 -3.1226 -3.1226 -2.2776 -2.2776 -2.2676 -2.2676 1.5965 1.5965 1.8075 1.8075 1.8623 1.8623 3.0889 3.0889 3.1173 3.1173 3.1711 3.1711 3.1794 3.1794 3.2952 3.2952 3.3384 3.3384 4.9390 4.9390 5.0639 5.0639 5.3538 5.3538 5.7952 5.7952 6.0908 6.0908 10.2463 10.2463 13.7149 13.7149 13.7633 13.7633 16.4348 16.4348 k = 0.0000 0.1351-0.0000 ( 4056 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4029 -41.4029 -41.4025 -41.4025 -18.4457 -18.4457 -15.9763 -15.9763 -15.7304 -15.7304 -15.7296 -15.7296 -3.1217 -3.1217 -2.2775 -2.2775 -2.2652 -2.2652 1.5509 1.5509 1.8060 1.8060 1.8623 1.8623 3.0678 3.0678 3.0996 3.0996 3.1521 3.1521 3.1654 3.1654 3.2859 3.2859 3.3302 3.3302 4.9447 4.9447 5.0960 5.0960 5.3761 5.3761 5.7966 5.7966 6.1498 6.1498 10.3040 10.3040 13.7389 13.7389 13.7964 13.7964 16.4150 16.4150 k = 0.0000 0.1486-0.0000 ( 4060 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4030 -41.4030 -41.4025 -41.4025 -18.4444 -18.4444 -15.9747 -15.9747 -15.7303 -15.7303 -15.7292 -15.7292 -3.1209 -3.1209 -2.2773 -2.2773 -2.2627 -2.2627 1.5017 1.5017 1.8052 1.8052 1.8622 1.8622 3.0452 3.0452 3.0802 3.0802 3.1237 3.1237 3.1596 3.1596 3.2774 3.2774 3.3221 3.3221 4.9503 4.9503 5.1296 5.1296 5.4002 5.4002 5.7982 5.7982 6.2111 6.2111 10.3672 10.3672 13.7650 13.7650 13.8312 13.8312 16.3945 16.3945 k = 0.0000 0.1622-0.0000 ( 4056 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4030 -41.4030 -41.4025 -41.4025 -18.4429 -18.4429 -15.9730 -15.9730 -15.7301 -15.7301 -15.7286 -15.7286 -3.1200 -3.1200 -2.2771 -2.2771 -2.2599 -2.2599 1.4496 1.4496 1.8049 1.8049 1.8622 1.8622 3.0213 3.0213 3.0593 3.0593 3.0948 3.0948 3.1537 3.1537 3.2694 3.2694 3.3140 3.3140 4.9555 4.9555 5.1643 5.1643 5.4257 5.4257 5.8001 5.8001 6.2740 6.2740 10.4358 10.4358 13.7929 13.7929 13.8672 13.8672 16.3737 16.3737 k = 0.0000 0.1757-0.0000 ( 4060 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4031 -41.4031 -41.4025 -41.4025 -18.4414 -18.4414 -15.9713 -15.9713 -15.7300 -15.7300 -15.7280 -15.7280 -3.1190 -3.1190 -2.2768 -2.2768 -2.2570 -2.2570 1.3952 1.3952 1.8049 1.8049 1.8622 1.8622 2.9965 2.9965 3.0374 3.0374 3.0657 3.0657 3.1475 3.1475 3.2618 3.2618 3.3061 3.3061 4.9604 4.9604 5.1997 5.1997 5.4522 5.4522 5.8024 5.8024 6.3377 6.3377 10.5095 10.5095 13.8225 13.8225 13.9037 13.9037 16.3525 16.3525 k = 0.0000 0.1892-0.0000 ( 4064 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4032 -41.4032 -41.4025 -41.4025 -18.4397 -18.4397 -15.9696 -15.9696 -15.7299 -15.7299 -15.7273 -15.7273 -3.1180 -3.1180 -2.2766 -2.2766 -2.2540 -2.2540 1.3390 1.3390 1.8052 1.8052 1.8622 1.8622 2.9709 2.9709 3.0145 3.0145 3.0368 3.0368 3.1412 3.1412 3.2546 3.2546 3.2983 3.2983 4.9650 4.9650 5.2357 5.2357 5.4796 5.4796 5.8051 5.8051 6.4017 6.4017 10.5881 10.5881 13.8536 13.8536 13.9397 13.9397 16.3307 16.3307 k = 0.0000 0.2027-0.0000 ( 4064 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4033 -41.4033 -41.4025 -41.4025 -18.4381 -18.4381 -15.9679 -15.9679 -15.7297 -15.7297 -15.7265 -15.7265 -3.1170 -3.1170 -2.2763 -2.2763 -2.2509 -2.2509 1.2817 1.2817 1.8056 1.8056 1.8622 1.8622 2.9448 2.9448 2.9911 2.9911 3.0083 3.0083 3.1347 3.1347 3.2476 3.2476 3.2907 3.2907 4.9691 4.9691 5.2721 5.2721 5.5074 5.5074 5.8083 5.8083 6.4653 6.4653 10.6715 10.6715 13.8861 13.8861 13.9744 13.9744 16.3083 16.3083 k = 0.0000 0.2162-0.0000 ( 4064 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4034 -41.4034 -41.4025 -41.4025 -18.4363 -18.4363 -15.9663 -15.9663 -15.7296 -15.7296 -15.7255 -15.7255 -3.1159 -3.1159 -2.2760 -2.2760 -2.2477 -2.2477 1.2238 1.2238 1.8063 1.8063 1.8623 1.8623 2.9185 2.9185 2.9673 2.9673 2.9804 2.9804 3.1282 3.1282 3.2408 3.2408 3.2831 3.2831 4.9730 4.9730 5.3084 5.3084 5.5351 5.5351 5.8122 5.8122 6.5282 6.5282 10.7593 10.7593 13.9196 13.9196 14.0067 14.0067 16.2854 16.2855 k = 0.0000 0.2297-0.0000 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4034 -41.4034 -41.4025 -41.4025 -18.4346 -18.4346 -15.9647 -15.9647 -15.7294 -15.7294 -15.7245 -15.7245 -3.1148 -3.1148 -2.2757 -2.2757 -2.2444 -2.2444 1.1657 1.1657 1.8070 1.8070 1.8622 1.8622 2.8922 2.8922 2.9434 2.9434 2.9533 2.9533 3.1215 3.1215 3.2342 3.2342 3.2758 3.2758 4.9765 4.9765 5.3444 5.3444 5.5623 5.5623 5.8167 5.8167 6.5898 6.5898 10.8512 10.8512 13.9540 13.9540 14.0354 14.0354 16.2624 16.2624 k = 0.0000 0.2432-0.0000 ( 4072 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4035 -41.4035 -41.4025 -41.4025 -18.4328 -18.4328 -15.9632 -15.9632 -15.7293 -15.7293 -15.7233 -15.7233 -3.1137 -3.1137 -2.2753 -2.2753 -2.2411 -2.2411 1.1081 1.1081 1.8079 1.8079 1.8623 1.8623 2.8660 2.8660 2.9196 2.9196 2.9269 2.9269 3.1149 3.1149 3.2277 3.2277 3.2686 3.2686 4.9797 4.9797 5.3802 5.3802 5.5887 5.5887 5.8223 5.8223 6.6500 6.6500 10.9471 10.9471 13.9892 13.9892 14.0594 14.0594 16.2395 16.2395 k = 0.0000 0.2568-0.0000 ( 4072 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4036 -41.4036 -41.4025 -41.4025 -18.4310 -18.4310 -15.9618 -15.9618 -15.7291 -15.7291 -15.7220 -15.7220 -3.1127 -3.1127 -2.2749 -2.2749 -2.2377 -2.2377 1.0510 1.0510 1.8089 1.8089 1.8623 1.8623 2.8402 2.8402 2.8960 2.8960 2.9015 2.9015 3.1083 3.1083 3.2215 3.2215 3.2616 3.2616 4.9827 4.9827 5.4153 5.4153 5.6137 5.6137 5.8292 5.8292 6.7082 6.7082 11.0465 11.0465 14.0247 14.0247 14.0776 14.0776 16.2169 16.2169 k = 0.0000 0.2703-0.0000 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4037 -41.4037 -41.4025 -41.4025 -18.4293 -18.4293 -15.9605 -15.9605 -15.7290 -15.7290 -15.7207 -15.7207 -3.1116 -3.1116 -2.2745 -2.2745 -2.2343 -2.2343 0.9950 0.9950 1.8100 1.8100 1.8623 1.8623 2.8149 2.8149 2.8727 2.8727 2.8770 2.8770 3.1017 3.1017 3.2154 3.2154 3.2548 3.2548 4.9854 4.9854 5.4497 5.4497 5.6368 5.6368 5.8376 5.8376 6.7641 6.7641 11.1493 11.1493 14.0604 14.0604 14.0887 14.0887 16.1948 16.1948 k = 0.0000 0.2838-0.0000 ( 4084 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4038 -41.4038 -41.4025 -41.4025 -18.4275 -18.4275 -15.9593 -15.9593 -15.7288 -15.7288 -15.7192 -15.7192 -3.1105 -3.1105 -2.2741 -2.2741 -2.2310 -2.2310 0.9405 0.9405 1.8112 1.8112 1.8624 1.8624 2.7903 2.7903 2.8502 2.8502 2.8535 2.8535 3.0952 3.0952 3.2095 3.2095 3.2482 3.2482 4.9880 4.9880 5.4830 5.4830 5.6576 5.6576 5.8477 5.8477 6.8177 6.8177 11.2550 11.2550 14.0919 14.0919 14.0960 14.0960 16.1733 16.1733 k = 0.0000 0.2973-0.0000 ( 4076 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4039 -41.4039 -41.4025 -41.4025 -18.4258 -18.4258 -15.9582 -15.9582 -15.7287 -15.7287 -15.7177 -15.7177 -3.1095 -3.1095 -2.2737 -2.2737 -2.2277 -2.2277 0.8878 0.8878 1.8125 1.8125 1.8625 1.8625 2.7665 2.7665 2.8283 2.8283 2.8313 2.8313 3.0888 3.0888 3.2039 3.2039 3.2419 3.2419 4.9903 4.9903 5.5153 5.5153 5.6757 5.6757 5.8596 5.8596 6.8687 6.8687 11.3634 11.3634 14.0864 14.0864 14.1313 14.1313 16.1525 16.1525 k = 0.0000 0.3108-0.0000 ( 4068 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4040 -41.4040 -41.4025 -41.4025 -18.4241 -18.4241 -15.9572 -15.9572 -15.7285 -15.7285 -15.7161 -15.7161 -3.1085 -3.1085 -2.2733 -2.2733 -2.2245 -2.2245 0.8373 0.8373 1.8138 1.8138 1.8626 1.8626 2.7437 2.7437 2.8073 2.8073 2.8101 2.8101 3.0828 3.0828 3.1984 3.1984 3.2359 3.2359 4.9924 4.9924 5.5463 5.5463 5.6911 5.6911 5.8734 5.8734 6.9169 6.9169 11.4741 11.4741 14.0717 14.0717 14.1660 14.1660 16.1327 16.1327 k = 0.0000 0.3243-0.0000 ( 4068 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4040 -41.4040 -41.4025 -41.4025 -18.4224 -18.4224 -15.9563 -15.9563 -15.7284 -15.7284 -15.7145 -15.7145 -3.1076 -3.1076 -2.2729 -2.2729 -2.2214 -2.2214 0.7891 0.7891 1.8151 1.8151 1.8627 1.8627 2.7218 2.7218 2.7873 2.7873 2.7902 2.7902 3.0768 3.0768 3.1932 3.1932 3.2301 3.2301 4.9944 4.9944 5.5757 5.5757 5.7038 5.7038 5.8886 5.8886 6.9621 6.9621 11.5867 11.5867 14.0478 14.0478 14.1998 14.1998 16.1138 16.1138 k = 0.0000 0.3378-0.0000 ( 4068 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4041 -41.4041 -41.4025 -41.4025 -18.4209 -18.4209 -15.9556 -15.9556 -15.7282 -15.7282 -15.7129 -15.7129 -3.1066 -3.1066 -2.2725 -2.2725 -2.2185 -2.2185 0.7434 0.7434 1.8165 1.8165 1.8629 1.8629 2.7012 2.7012 2.7684 2.7684 2.7716 2.7716 3.0711 3.0711 3.1883 3.1883 3.2246 3.2246 4.9961 4.9961 5.6036 5.6036 5.7140 5.7140 5.9049 5.9049 7.0044 7.0044 11.7010 11.7010 14.0146 14.0146 14.2325 14.2325 16.0959 16.0959 k = 0.0000 0.3514-0.0000 ( 4084 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4042 -41.4042 -41.4025 -41.4025 -18.4194 -18.4194 -15.9549 -15.9549 -15.7281 -15.7281 -15.7113 -15.7113 -3.1058 -3.1058 -2.2721 -2.2721 -2.2156 -2.2156 0.7007 0.7007 1.8177 1.8177 1.8629 1.8629 2.6817 2.6817 2.7506 2.7506 2.7542 2.7542 3.0657 3.0657 3.1837 3.1837 3.2194 3.2194 4.9976 4.9976 5.6296 5.6296 5.7221 5.7221 5.9215 5.9215 7.0434 7.0434 11.8166 11.8166 13.9726 13.9726 14.2638 14.2638 16.0792 16.0792 k = 0.0000 0.3649-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4043 -41.4043 -41.4025 -41.4025 -18.4180 -18.4180 -15.9544 -15.9544 -15.7280 -15.7280 -15.7098 -15.7098 -3.1050 -3.1050 -2.2717 -2.2717 -2.2130 -2.2130 0.6610 0.6610 1.8191 1.8191 1.8630 1.8630 2.6637 2.6637 2.7341 2.7341 2.7382 2.7382 3.0607 3.0607 3.1793 3.1793 3.2145 3.2145 4.9989 4.9989 5.6539 5.6539 5.7286 5.7286 5.9383 5.9383 7.0793 7.0793 11.9331 11.9331 13.9220 13.9220 14.2934 14.2934 16.0637 16.0637 k = 0.0000 0.3784-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4043 -41.4043 -41.4025 -41.4025 -18.4167 -18.4167 -15.9540 -15.9540 -15.7279 -15.7279 -15.7083 -15.7083 -3.1042 -3.1042 -2.2713 -2.2713 -2.2105 -2.2105 0.6246 0.6246 1.8204 1.8204 1.8631 1.8631 2.6471 2.6471 2.7189 2.7189 2.7236 2.7236 3.0561 3.0561 3.1754 3.1754 3.2101 3.2101 5.0002 5.0002 5.6762 5.6762 5.7337 5.7337 5.9546 5.9546 7.1119 7.1119 12.0503 12.0503 13.8635 13.8635 14.3211 14.3211 16.0494 16.0494 k = 0.0000 0.3919-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4044 -41.4044 -41.4024 -41.4024 -18.4155 -18.4155 -15.9536 -15.9536 -15.7278 -15.7278 -15.7069 -15.7069 -3.1035 -3.1035 -2.2710 -2.2710 -2.2082 -2.2082 0.5916 0.5916 1.8216 1.8216 1.8633 1.8633 2.6319 2.6319 2.7051 2.7051 2.7105 2.7105 3.0518 3.0518 3.1717 3.1717 3.2061 3.2061 5.0014 5.0014 5.6964 5.6964 5.7378 5.7378 5.9700 5.9700 7.1412 7.1412 12.1677 12.1677 13.7977 13.7977 14.3466 14.3466 16.0366 16.0366 k = 0.0000 0.4054-0.0000 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4044 -41.4044 -41.4024 -41.4024 -18.4144 -18.4144 -15.9533 -15.9533 -15.7277 -15.7277 -15.7055 -15.7055 -3.1029 -3.1029 -2.2706 -2.2706 -2.2062 -2.2062 0.5623 0.5623 1.8228 1.8228 1.8634 1.8634 2.6184 2.6184 2.6928 2.6928 2.6989 2.6989 3.0480 3.0480 3.1685 3.1685 3.2025 3.2025 5.0024 5.0024 5.7145 5.7145 5.7411 5.7411 5.9843 5.9843 7.1672 7.1672 12.2850 12.2850 13.7252 13.7252 14.3697 14.3697 16.0251 16.0251 k = 0.0000 0.4189-0.0000 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4045 -41.4045 -41.4024 -41.4024 -18.4134 -18.4134 -15.9530 -15.9530 -15.7276 -15.7276 -15.7043 -15.7043 -3.1024 -3.1024 -2.2703 -2.2703 -2.2044 -2.2044 0.5365 0.5365 1.8238 1.8238 1.8635 1.8635 2.6066 2.6066 2.6820 2.6820 2.6887 2.6887 3.0447 3.0447 3.1657 3.1657 3.1993 3.1993 5.0032 5.0032 5.7304 5.7304 5.7437 5.7437 5.9971 5.9971 7.1897 7.1897 12.4019 12.4019 13.6465 13.6465 14.3902 14.3902 16.0150 16.0150 k = 0.0000 0.4324-0.0000 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4045 -41.4045 -41.4024 -41.4024 -18.4126 -18.4126 -15.9528 -15.9528 -15.7276 -15.7276 -15.7033 -15.7033 -3.1019 -3.1019 -2.2701 -2.2701 -2.2028 -2.2028 0.5145 0.5145 1.8247 1.8247 1.8636 1.8636 2.5964 2.5964 2.6728 2.6728 2.6800 2.6800 3.0416 3.0416 3.1632 3.1632 3.1966 3.1966 5.0039 5.0039 5.7438 5.7438 5.7457 5.7457 6.0081 6.0081 7.2086 7.2086 12.5181 12.5181 13.5624 13.5624 14.4079 14.4079 16.0064 16.0064 k = 0.0000 0.4459-0.0000 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4046 -41.4046 -41.4024 -41.4024 -18.4120 -18.4120 -15.9527 -15.9527 -15.7275 -15.7275 -15.7025 -15.7025 -3.1016 -3.1016 -2.2699 -2.2699 -2.2015 -2.2015 0.4964 0.4964 1.8255 1.8255 1.8637 1.8637 2.5880 2.5880 2.6652 2.6652 2.6729 2.6729 3.0392 3.0392 3.1612 3.1612 3.1944 3.1944 5.0045 5.0045 5.7472 5.7472 5.7550 5.7550 6.0174 6.0174 7.2242 7.2242 12.6331 12.6331 13.4732 13.4732 14.4226 14.4226 15.9994 15.9994 k = 0.0000 0.4595-0.0000 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4046 -41.4046 -41.4024 -41.4024 -18.4114 -18.4114 -15.9526 -15.9526 -15.7275 -15.7275 -15.7018 -15.7018 -3.1013 -3.1013 -2.2697 -2.2697 -2.2005 -2.2005 0.4823 0.4823 1.8261 1.8261 1.8637 1.8637 2.5814 2.5814 2.6593 2.6593 2.6673 2.6673 3.0374 3.0374 3.1597 3.1597 3.1926 3.1926 5.0049 5.0049 5.7484 5.7484 5.7637 5.7637 6.0247 6.0247 7.2364 7.2364 12.7468 12.7468 13.3795 13.3795 14.4342 14.4342 15.9939 15.9939 k = 0.0000 0.4730-0.0000 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4046 -41.4046 -41.4024 -41.4024 -18.4110 -18.4110 -15.9525 -15.9525 -15.7274 -15.7274 -15.7012 -15.7012 -3.1010 -3.1010 -2.2696 -2.2696 -2.1998 -2.1998 0.4722 0.4722 1.8266 1.8266 1.8638 1.8638 2.5767 2.5767 2.6550 2.6550 2.6633 2.6633 3.0360 3.0360 3.1585 3.1585 3.1914 3.1914 5.0053 5.0053 5.7492 5.7492 5.7700 5.7700 6.0300 6.0300 7.2451 7.2451 12.8587 12.8587 13.2818 13.2818 14.4426 14.4426 15.9899 15.9899 k = 0.0000 0.4865-0.0000 ( 4104 PWs) bands (ev): -77.0419 -77.0419 -45.8683 -45.8683 -41.4046 -41.4046 -41.4024 -41.4024 -18.4108 -18.4108 -15.9525 -15.9525 -15.7274 -15.7274 -15.7009 -15.7009 -3.1009 -3.1009 -2.2695 -2.2695 -2.1994 -2.1994 0.4661 0.4661 1.8269 1.8269 1.8638 1.8638 2.5739 2.5739 2.6525 2.6525 2.6609 2.6609 3.0352 3.0352 3.1578 3.1578 3.1906 3.1906 5.0054 5.0054 5.7496 5.7496 5.7736 5.7736 6.0331 6.0331 7.2503 7.2503 12.9685 12.9685 13.1805 13.1805 14.4477 14.4477 15.9875 15.9875 k = 0.0000 0.5000-0.0000 ( 4116 PWs) bands (ev): -77.0419 -77.0419 -45.8683 -45.8683 -41.4046 -41.4046 -41.4024 -41.4024 -18.4107 -18.4107 -15.9525 -15.9525 -15.7274 -15.7274 -15.7008 -15.7008 -3.1009 -3.1009 -2.2695 -2.2695 -2.1992 -2.1992 0.4640 0.4640 1.8270 1.8270 1.8638 1.8638 2.5729 2.5729 2.6516 2.6516 2.6599 2.6599 3.0350 3.0350 3.1576 3.1576 3.1903 3.1903 5.0055 5.0055 5.7498 5.7498 5.7749 5.7749 6.0342 6.0342 7.2519 7.2519 13.0723 13.0723 13.0795 13.0795 14.4494 14.4494 15.9867 15.9867 k = 0.0000 0.5000-0.0000 ( 4116 PWs) bands (ev): -77.0419 -77.0419 -45.8683 -45.8683 -41.4046 -41.4046 -41.4024 -41.4024 -18.4107 -18.4107 -15.9525 -15.9525 -15.7274 -15.7274 -15.7008 -15.7008 -3.1009 -3.1009 -2.2695 -2.2695 -2.1992 -2.1992 0.4640 0.4640 1.8270 1.8270 1.8638 1.8638 2.5729 2.5729 2.6516 2.6516 2.6599 2.6599 3.0350 3.0350 3.1576 3.1576 3.1903 3.1903 5.0055 5.0055 5.7498 5.7498 5.7749 5.7749 6.0342 6.0342 7.2519 7.2519 13.0723 13.0723 13.0795 13.0795 14.4494 14.4494 15.9867 15.9867 k = 0.0135 0.5000-0.0000 ( 4108 PWs) bands (ev): -77.0419 -77.0419 -45.8683 -45.8683 -41.4046 -41.4046 -41.4024 -41.4024 -18.4107 -18.4107 -15.9523 -15.9523 -15.7274 -15.7274 -15.7009 -15.7009 -3.1010 -3.1010 -2.2697 -2.2697 -2.1993 -2.1993 0.4639 0.4639 1.8255 1.8255 1.8625 1.8625 2.5634 2.5634 2.6323 2.6323 2.6866 2.6866 3.0368 3.0368 3.1564 3.1564 3.1889 3.1889 5.0076 5.0076 5.7526 5.7526 5.7752 5.7752 6.0349 6.0349 7.2538 7.2538 13.0745 13.0745 13.0801 13.0801 14.4512 14.4512 15.9865 15.9865 k = 0.0270 0.5000-0.0000 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4106 -18.4106 -15.9516 -15.9516 -15.7274 -15.7274 -15.7010 -15.7010 -3.1013 -3.1013 -2.2701 -2.2701 -2.1997 -2.1997 0.4637 0.4637 1.8203 1.8203 1.8594 1.8594 2.5371 2.5371 2.6201 2.6201 2.7188 2.7188 3.0424 3.0424 3.1527 3.1527 3.1845 3.1845 5.0137 5.0137 5.7606 5.7606 5.7764 5.7764 6.0370 6.0370 7.2594 7.2594 13.0806 13.0806 13.0824 13.0824 14.4565 14.4565 15.9857 15.9857 k = 0.0405 0.5000-0.0000 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4103 -18.4103 -15.9506 -15.9506 -15.7273 -15.7273 -15.7012 -15.7012 -3.1019 -3.1019 -2.2709 -2.2709 -2.2003 -2.2003 0.4635 0.4635 1.8095 1.8095 1.8563 1.8563 2.5014 2.5014 2.6140 2.6140 2.7501 2.7501 3.0517 3.0517 3.1466 3.1466 3.1774 3.1774 5.0237 5.0237 5.7718 5.7718 5.7802 5.7802 6.0406 6.0406 7.2687 7.2687 13.0843 13.0843 13.0928 13.0928 14.4654 14.4654 15.9837 15.9837 k = 0.0541 0.5000-0.0000 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4100 -18.4100 -15.9492 -15.9492 -15.7273 -15.7273 -15.7014 -15.7014 -3.1027 -3.1027 -2.2721 -2.2721 -2.2010 -2.2010 0.4631 0.4631 1.7919 1.7919 1.8547 1.8547 2.4616 2.4616 2.6096 2.6096 2.7793 2.7793 3.0647 3.0647 3.1381 3.1381 3.1682 3.1682 5.0373 5.0373 5.7771 5.7771 5.7948 5.7948 6.0457 6.0457 7.2818 7.2818 13.0882 13.0882 13.1084 13.1084 14.4779 14.4779 15.9797 15.9797 k = 0.0676 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4096 -18.4096 -15.9473 -15.9473 -15.7272 -15.7272 -15.7017 -15.7017 -3.1038 -3.1038 -2.2736 -2.2736 -2.2019 -2.2019 0.4625 0.4625 1.7678 1.7678 1.8546 1.8546 2.4200 2.4200 2.6056 2.6056 2.8058 2.8058 3.0813 3.0813 3.1273 3.1273 3.1576 3.1576 5.0544 5.0544 5.7798 5.7798 5.8163 5.8163 6.0526 6.0526 7.2989 7.2989 13.0932 13.0932 13.1285 13.1285 14.4939 14.4939 15.9733 15.9733 k = 0.0811 0.5000-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4092 -18.4092 -15.9451 -15.9451 -15.7271 -15.7271 -15.7021 -15.7021 -3.1051 -3.1051 -2.2755 -2.2755 -2.2029 -2.2029 0.4619 0.4619 1.7374 1.7374 1.8556 1.8556 2.3775 2.3775 2.6014 2.6014 2.8294 2.8294 3.1000 3.1000 3.1149 3.1149 3.1466 3.1466 5.0745 5.0745 5.7825 5.7825 5.8408 5.8408 6.0615 6.0615 7.3201 7.3201 13.0993 13.0993 13.1530 13.1530 14.5135 14.5135 15.9643 15.9643 k = 0.0946 0.5000-0.0000 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4026 -41.4026 -18.4086 -18.4086 -15.9426 -15.9426 -15.7269 -15.7269 -15.7025 -15.7025 -3.1066 -3.1066 -2.2779 -2.2779 -2.2040 -2.2040 0.4611 0.4611 1.7016 1.7016 1.8575 1.8575 2.3346 2.3346 2.5967 2.5967 2.8504 2.8504 3.0951 3.0951 3.1254 3.1254 3.1366 3.1366 5.0975 5.0975 5.7855 5.7855 5.8672 5.8672 6.0725 6.0725 7.3453 7.3453 13.1065 13.1065 13.1817 13.1817 14.5365 14.5365 15.9531 15.9531 k = 0.1081 0.5000-0.0000 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4026 -41.4026 -18.4080 -18.4080 -15.9396 -15.9396 -15.7268 -15.7268 -15.7030 -15.7030 -3.1083 -3.1083 -2.2806 -2.2806 -2.2050 -2.2050 0.4602 0.4602 1.6609 1.6609 1.8599 1.8599 2.2916 2.2916 2.5915 2.5915 2.8690 2.8690 3.0761 3.0761 3.1249 3.1249 3.1521 3.1521 5.1228 5.1228 5.7888 5.7888 5.8941 5.8941 6.0858 6.0858 7.3748 7.3748 13.1148 13.1148 13.2146 13.2146 14.5629 14.5629 15.9401 15.9401 k = 0.1216 0.5000-0.0000 ( 4084 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4026 -41.4026 -18.4073 -18.4073 -15.9364 -15.9364 -15.7267 -15.7267 -15.7036 -15.7036 -3.1102 -3.1102 -2.2838 -2.2838 -2.2060 -2.2060 0.4592 0.4592 1.6159 1.6159 1.8630 1.8630 2.2487 2.2487 2.5859 2.5859 2.8858 2.8858 3.0544 3.0544 3.1160 3.1160 3.1790 3.1790 5.1501 5.1501 5.7923 5.7923 5.9206 5.9206 6.1018 6.1018 7.4085 7.4085 13.1242 13.1242 13.2516 13.2516 14.5928 14.5928 15.9255 15.9255 k = 0.1351 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4027 -41.4027 -18.4066 -18.4066 -15.9329 -15.9329 -15.7265 -15.7265 -15.7042 -15.7042 -3.1123 -3.1123 -2.2875 -2.2875 -2.2069 -2.2069 0.4581 0.4581 1.5669 1.5669 1.8665 1.8665 2.2062 2.2062 2.5798 2.5798 2.9011 2.9011 3.0305 3.0305 3.1080 3.1080 3.2071 3.2071 5.1791 5.1791 5.7959 5.7959 5.9457 5.9457 6.1203 6.1203 7.4464 7.4464 13.1347 13.1347 13.2925 13.2925 14.6260 14.6260 15.9097 15.9097 k = 0.1486 0.5000-0.0000 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4027 -41.4027 -18.4057 -18.4057 -15.9290 -15.9290 -15.7264 -15.7264 -15.7048 -15.7048 -3.1145 -3.1145 -2.2916 -2.2916 -2.2076 -2.2076 0.4569 0.4569 1.5147 1.5147 1.8706 1.8706 2.1642 2.1642 2.5733 2.5733 2.9153 2.9153 3.0052 3.0052 3.1013 3.1013 3.2358 3.2358 5.2096 5.2096 5.7998 5.7998 5.9693 5.9693 6.1410 6.1410 7.4884 7.4884 13.1463 13.1463 13.3372 13.3372 14.6625 14.6625 15.8929 15.8929 k = 0.1622 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4047 -41.4047 -41.4028 -41.4028 -18.4049 -18.4049 -15.9249 -15.9249 -15.7262 -15.7262 -15.7055 -15.7055 -3.1170 -3.1170 -2.2961 -2.2961 -2.2082 -2.2082 0.4556 0.4556 1.4598 1.4598 1.8750 1.8750 2.1229 2.1229 2.5664 2.5664 2.9286 2.9286 2.9785 2.9785 3.0956 3.0956 3.2646 3.2646 5.2411 5.2411 5.8037 5.8037 5.9910 5.9910 6.1634 6.1634 7.5343 7.5343 13.1589 13.1589 13.3855 13.3855 14.7022 14.7022 15.8755 15.8755 k = 0.1757 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4048 -41.4048 -41.4028 -41.4028 -18.4040 -18.4040 -15.9206 -15.9206 -15.7260 -15.7260 -15.7062 -15.7062 -3.1196 -3.1196 -2.3010 -2.3010 -2.2086 -2.2086 0.4541 0.4541 1.4028 1.4028 1.8798 1.8798 2.0823 2.0823 2.5591 2.5591 2.9403 2.9403 2.9520 2.9520 3.0913 3.0913 3.2930 3.2930 5.2734 5.2734 5.8077 5.8077 6.0113 6.0113 6.1867 6.1867 7.5839 7.5839 13.1725 13.1725 13.4373 13.4373 14.7449 14.7449 15.8576 15.8576 k = 0.1892 0.5000-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4048 -41.4048 -41.4029 -41.4029 -18.4030 -18.4030 -15.9161 -15.9161 -15.7259 -15.7259 -15.7070 -15.7070 -3.1223 -3.1223 -2.3062 -2.3062 -2.2088 -2.2088 0.4526 0.4526 1.3442 1.3442 1.8850 1.8850 2.0427 2.0427 2.5515 2.5515 2.9214 2.9214 2.9548 2.9548 3.0881 3.0881 3.3208 3.3208 5.3062 5.3062 5.8118 5.8118 6.0304 6.0304 6.2103 6.2103 7.6368 7.6368 13.1872 13.1872 13.4924 13.4924 14.7906 14.7906 15.8396 15.8396 k = 0.2027 0.5000-0.0000 ( 4082 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4048 -41.4048 -41.4029 -41.4029 -18.4020 -18.4020 -15.9114 -15.9114 -15.7257 -15.7257 -15.7077 -15.7077 -3.1251 -3.1251 -2.3118 -2.3118 -2.2089 -2.2089 0.4510 0.4510 1.2847 1.2847 1.8906 1.8906 2.0042 2.0042 2.5437 2.5437 2.8925 2.8925 2.9667 2.9667 3.0860 3.0860 3.3478 3.3478 5.3392 5.3392 5.8159 5.8159 6.0488 6.0488 6.2333 6.2333 7.6924 7.6924 13.2027 13.2027 13.5506 13.5506 14.8390 14.8390 15.8216 15.8216 k = 0.2162 0.5000-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4049 -41.4049 -41.4030 -41.4030 -18.4010 -18.4010 -15.9066 -15.9066 -15.7256 -15.7256 -15.7085 -15.7085 -3.1281 -3.1281 -2.3176 -2.3176 -2.2087 -2.2087 0.4493 0.4493 1.2248 1.2248 1.8963 1.8963 1.9670 1.9670 2.5357 2.5357 2.8631 2.8631 2.9785 2.9785 3.0848 3.0848 3.3737 3.3737 5.3722 5.3722 5.8200 5.8200 6.0665 6.0665 6.2553 6.2553 7.7502 7.7502 13.2191 13.2191 13.6117 13.6117 14.8899 14.8899 15.8038 15.8038 k = 0.2297 0.5000-0.0000 ( 4078 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4049 -41.4049 -41.4030 -41.4030 -18.3999 -18.3999 -15.9017 -15.9017 -15.7255 -15.7255 -15.7092 -15.7092 -3.1311 -3.1311 -2.3236 -2.3236 -2.2084 -2.2084 0.4474 0.4474 1.1650 1.1650 1.9013 1.9013 1.9322 1.9322 2.5275 2.5275 2.8334 2.8334 2.9901 2.9901 3.0847 3.0847 3.3985 3.3985 5.4049 5.4049 5.8243 5.8243 6.0842 6.0842 6.2761 6.2761 7.8098 7.8098 13.2364 13.2364 13.6755 13.6755 14.9431 14.9431 15.7866 15.7866 k = 0.2432 0.5000-0.0000 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4049 -41.4049 -41.4031 -41.4031 -18.3989 -18.3989 -15.8967 -15.8967 -15.7254 -15.7254 -15.7100 -15.7100 -3.1342 -3.1342 -2.3297 -2.3297 -2.2080 -2.2080 0.4453 0.4453 1.1057 1.1057 1.8906 1.8906 1.9147 1.9147 2.5191 2.5191 2.8037 2.8037 3.0015 3.0015 3.0854 3.0854 3.4220 3.4220 5.4370 5.4370 5.8285 5.8285 6.1014 6.1014 6.2954 6.2954 7.8705 7.8705 13.2543 13.2543 13.7417 13.7417 14.9983 14.9983 15.7699 15.7699 k = 0.2568 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4050 -41.4050 -41.4031 -41.4031 -18.3979 -18.3979 -15.8917 -15.8917 -15.7253 -15.7253 -15.7107 -15.7107 -3.1374 -3.1374 -2.3359 -2.3359 -2.2074 -2.2074 0.4431 0.4431 1.0473 1.0473 1.8593 1.8593 1.9196 1.9196 2.5108 2.5108 2.7740 2.7740 3.0126 3.0126 3.0868 3.0868 3.4442 3.4442 5.4683 5.4683 5.8328 5.8328 6.1187 6.1187 6.3132 6.3132 7.9316 7.9316 13.2729 13.2729 13.8101 13.8101 15.0551 15.0551 15.7541 15.7541 k = 0.2703 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4050 -41.4050 -41.4031 -41.4031 -18.3968 -18.3968 -15.8867 -15.8867 -15.7253 -15.7253 -15.7114 -15.7114 -3.1405 -3.1405 -2.3421 -2.3421 -2.2067 -2.2067 0.4407 0.4407 0.9905 0.9905 1.8274 1.8274 1.9268 1.9268 2.5025 2.5025 2.7447 2.7447 3.0235 3.0235 3.0888 3.0888 3.4651 3.4651 5.4986 5.4986 5.8372 5.8372 6.1358 6.1358 6.3294 6.3294 7.9927 7.9927 13.2919 13.2919 13.8803 13.8803 15.1130 15.1130 15.7392 15.7392 k = 0.2838 0.5000-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4051 -41.4051 -41.4032 -41.4032 -18.3958 -18.3958 -15.8818 -15.8818 -15.7253 -15.7253 -15.7120 -15.7120 -3.1437 -3.1437 -2.3482 -2.3482 -2.2060 -2.2060 0.4380 0.4380 0.9356 0.9356 1.7968 1.7968 1.9347 1.9347 2.4943 2.4943 2.7157 2.7157 3.0340 3.0340 3.0913 3.0913 3.4845 3.4845 5.5277 5.5277 5.8419 5.8419 6.1527 6.1527 6.3442 6.3442 8.0531 8.0531 13.3113 13.3113 13.9522 13.9522 15.1715 15.1715 15.7254 15.7254 k = 0.2973 0.5000-0.0000 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4051 -41.4051 -41.4032 -41.4032 -18.3947 -18.3947 -15.8769 -15.8769 -15.7253 -15.7253 -15.7126 -15.7126 -3.1468 -3.1468 -2.3543 -2.3543 -2.2051 -2.2051 0.4351 0.4351 0.8829 0.8829 1.7675 1.7675 1.9429 1.9429 2.4862 2.4862 2.6872 2.6872 3.0441 3.0441 3.0942 3.0942 3.5027 3.5027 5.5553 5.5553 5.8467 5.8467 6.1694 6.1694 6.3575 6.3575 8.1122 8.1122 13.3309 13.3309 14.0253 14.0253 15.2300 15.2300 15.7128 15.7128 k = 0.3108 0.5000-0.0000 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4052 -41.4052 -41.4033 -41.4033 -18.3937 -18.3937 -15.8721 -15.8721 -15.7254 -15.7254 -15.7132 -15.7132 -3.1498 -3.1498 -2.3602 -2.3602 -2.2042 -2.2042 0.4317 0.4317 0.8329 0.8329 1.7399 1.7399 1.9515 1.9515 2.4783 2.4783 2.6594 2.6594 3.0539 3.0539 3.0975 3.0975 3.5194 3.5194 5.5813 5.5813 5.8518 5.8518 6.1857 6.1857 6.3695 6.3695 8.1696 8.1696 13.3505 13.3505 14.0993 14.0993 15.2878 15.2878 15.7013 15.7013 k = 0.3243 0.5000-0.0000 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4052 -41.4052 -41.4033 -41.4033 -18.3928 -18.3928 -15.8675 -15.8675 -15.7256 -15.7256 -15.7136 -15.7136 -3.1528 -3.1528 -2.3659 -2.3659 -2.2033 -2.2033 0.4279 0.4279 0.7859 0.7859 1.7140 1.7140 1.9604 1.9604 2.4707 2.4707 2.6323 2.6323 3.0633 3.0633 3.1009 3.1009 3.5348 3.5348 5.6055 5.6055 5.8572 5.8572 6.2017 6.2017 6.3802 6.3802 8.2248 8.2248 13.3700 13.3700 14.1740 14.1740 15.3440 15.3440 15.6912 15.6912 k = 0.3378 0.5000-0.0000 ( 4102 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4053 -41.4053 -41.4033 -41.4033 -18.3919 -18.3919 -15.8631 -15.8631 -15.7258 -15.7258 -15.7141 -15.7141 -3.1557 -3.1557 -2.3714 -2.3714 -2.2024 -2.2024 0.4235 0.4235 0.7424 0.7424 1.6898 1.6898 1.9695 1.9695 2.4632 2.4632 2.6062 2.6062 3.0721 3.0721 3.1045 3.1045 3.5489 3.5489 5.6275 5.6275 5.8629 5.8629 6.2170 6.2170 6.3898 6.3898 8.2775 8.2775 13.3891 13.3891 14.2488 14.2488 15.3977 15.3977 15.6824 15.6824 k = 0.3514 0.5000-0.0000 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4053 -41.4053 -41.4033 -41.4033 -18.3910 -18.3910 -15.8589 -15.8589 -15.7260 -15.7260 -15.7144 -15.7144 -3.1584 -3.1584 -2.3766 -2.3766 -2.2014 -2.2014 0.4184 0.4184 0.7025 0.7025 1.6673 1.6673 1.9788 1.9788 2.4562 2.4562 2.5811 2.5811 3.0803 3.0803 3.1081 3.1081 3.5616 3.5616 5.6475 5.6475 5.8690 5.8690 6.2317 6.2317 6.3983 6.3983 8.3271 8.3271 13.4076 13.4076 14.3232 14.3232 15.4480 15.4480 15.6748 15.6748 k = 0.3649 0.5000-0.0000 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4054 -41.4054 -41.4033 -41.4033 -18.3901 -18.3901 -15.8549 -15.8549 -15.7262 -15.7262 -15.7147 -15.7147 -3.1610 -3.1610 -2.3815 -2.3815 -2.2005 -2.2005 0.4125 0.4125 0.6668 0.6668 1.6467 1.6467 1.9882 1.9882 2.4495 2.4495 2.5572 2.5572 3.0880 3.0880 3.1117 3.1117 3.5731 3.5731 5.6653 5.6653 5.8754 5.8754 6.2456 6.2456 6.4059 6.4059 8.3734 8.3734 13.4255 13.4255 14.3969 14.3969 15.4940 15.4940 15.6685 15.6685 k = 0.3784 0.5000-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4054 -41.4054 -41.4034 -41.4034 -18.3894 -18.3894 -15.8512 -15.8512 -15.7265 -15.7265 -15.7149 -15.7149 -3.1634 -3.1634 -2.3860 -2.3860 -2.1996 -2.1996 0.4056 0.4056 0.6354 0.6354 1.6279 1.6279 1.9975 1.9975 2.4431 2.4431 2.5348 2.5348 3.0951 3.0951 3.1153 3.1153 3.5834 3.5834 5.6809 5.6809 5.8821 5.8821 6.2586 6.2586 6.4126 6.4126 8.4161 8.4161 13.4424 13.4424 14.4690 14.4690 15.5346 15.5346 15.6633 15.6633 k = 0.3919 0.5000-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4054 -41.4054 -41.4034 -41.4034 -18.3887 -18.3887 -15.8478 -15.8478 -15.7268 -15.7268 -15.7151 -15.7151 -3.1656 -3.1656 -2.3901 -2.3901 -2.1988 -2.1988 0.3978 0.3978 0.6087 0.6087 1.6109 1.6109 2.0067 2.0067 2.4371 2.4371 2.5139 2.5139 3.1015 3.1015 3.1186 3.1186 3.5925 3.5925 5.6943 5.6943 5.8888 5.8888 6.2706 6.2706 6.4184 6.4184 8.4548 8.4548 13.4581 13.4581 14.5389 14.5389 15.5692 15.5692 15.6593 15.6593 k = 0.4054 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4055 -41.4055 -41.4034 -41.4034 -18.3880 -18.3880 -15.8448 -15.8448 -15.7271 -15.7271 -15.7153 -15.7153 -3.1676 -3.1676 -2.3938 -2.3938 -2.1980 -2.1980 0.3893 0.3893 0.5863 0.5863 1.5959 1.5959 2.0157 2.0157 2.4315 2.4315 2.4949 2.4949 3.1071 3.1071 3.1218 3.1218 3.6004 3.6004 5.7056 5.7056 5.8954 5.8954 6.2814 6.2814 6.4234 6.4234 8.4895 8.4895 13.4725 13.4725 14.6057 14.6057 15.5971 15.5971 15.6563 15.6563 k = 0.4189 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4055 -41.4055 -41.4034 -41.4034 -18.3875 -18.3875 -15.8421 -15.8421 -15.7274 -15.7274 -15.7154 -15.7154 -3.1694 -3.1694 -2.3971 -2.3971 -2.1973 -2.1973 0.3802 0.3802 0.5684 0.5684 1.5829 1.5829 2.0241 2.0241 2.4261 2.4261 2.4780 2.4780 3.1119 3.1119 3.1247 3.1247 3.6072 3.6072 5.7149 5.7149 5.9018 5.9018 6.2909 6.2909 6.4277 6.4277 8.5199 8.5199 13.4854 13.4854 14.6684 14.6684 15.6181 15.6181 15.6543 15.6543 k = 0.4324 0.5000-0.0000 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4055 -41.4055 -41.4034 -41.4034 -18.3870 -18.3870 -15.8398 -15.8398 -15.7276 -15.7276 -15.7155 -15.7155 -3.1709 -3.1709 -2.3999 -2.3999 -2.1967 -2.1967 0.3712 0.3712 0.5544 0.5544 1.5718 1.5718 2.0318 2.0318 2.4208 2.4208 2.4636 2.4636 3.1160 3.1160 3.1274 3.1274 3.6129 3.6129 5.7224 5.7224 5.9076 5.9076 6.2992 6.2992 6.4313 6.4313 8.5458 8.5458 13.4965 13.4965 14.7257 14.7257 15.6320 15.6320 15.6537 15.6537 k = 0.4459 0.5000-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3866 -18.3866 -15.8378 -15.8378 -15.7278 -15.7278 -15.7155 -15.7155 -3.1722 -3.1722 -2.4022 -2.4022 -2.1961 -2.1961 0.3628 0.3628 0.5439 0.5439 1.5627 1.5627 2.0387 2.0387 2.4157 2.4157 2.4521 2.4521 3.1193 3.1193 3.1297 3.1297 3.6175 3.6175 5.7283 5.7283 5.9127 5.9127 6.3060 6.3060 6.4342 6.4342 8.5672 8.5672 13.5059 13.5059 14.7761 14.7761 15.6391 15.6391 15.6547 15.6547 k = 0.4595 0.5000-0.0000 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3863 -18.3863 -15.8363 -15.8363 -15.7280 -15.7280 -15.7156 -15.7156 -3.1732 -3.1732 -2.4040 -2.4040 -2.1957 -2.1957 0.3556 0.3556 0.5362 0.5362 1.5556 1.5556 2.0443 2.0443 2.4109 2.4109 2.4436 2.4436 3.1218 3.1218 3.1316 3.1316 3.6210 3.6210 5.7327 5.7327 5.9169 5.9169 6.3114 6.3114 6.4364 6.4364 8.5839 8.5839 13.5133 13.5133 14.8179 14.8179 15.6412 15.6412 15.6566 15.6566 k = 0.4730 0.5000-0.0000 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3861 -18.3861 -15.8352 -15.8352 -15.7281 -15.7281 -15.7156 -15.7156 -3.1739 -3.1739 -2.4053 -2.4053 -2.1954 -2.1954 0.3501 0.3501 0.5311 0.5311 1.5505 1.5505 2.0486 2.0486 2.4068 2.4068 2.4380 2.4380 3.1235 3.1235 3.1330 3.1330 3.6236 3.6236 5.7358 5.7358 5.9200 5.9200 6.3153 6.3153 6.4380 6.4380 8.5959 8.5959 13.5187 13.5187 14.8495 14.8495 15.6413 15.6413 15.6579 15.6579 k = 0.4865 0.5000-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3859 -18.3859 -15.8346 -15.8346 -15.7282 -15.7282 -15.7156 -15.7156 -3.1744 -3.1744 -2.4061 -2.4061 -2.1952 -2.1952 0.3466 0.3466 0.5282 0.5282 1.5474 1.5474 2.0513 2.0513 2.4039 2.4039 2.4349 2.4349 3.1246 3.1246 3.1339 3.1339 3.6251 3.6251 5.7376 5.7376 5.9219 5.9219 6.3176 6.3176 6.4390 6.4390 8.6031 8.6031 13.5219 13.5219 14.8692 14.8692 15.6409 15.6409 15.6584 15.6584 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3859 -18.3859 -15.8343 -15.8343 -15.7282 -15.7282 -15.7156 -15.7156 -3.1745 -3.1745 -2.4064 -2.4064 -2.1952 -2.1952 0.3455 0.3455 0.5273 0.5273 1.5465 1.5465 2.0522 2.0522 2.4030 2.4030 2.4340 2.4340 3.1250 3.1250 3.1342 3.1342 3.6256 3.6256 5.7383 5.7383 5.9226 5.9226 6.3185 6.3185 6.4393 6.4393 8.6056 8.6056 13.5230 13.5230 14.8760 14.8760 15.6406 15.6406 15.6585 15.6585 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3859 -18.3859 -15.8343 -15.8343 -15.7282 -15.7282 -15.7156 -15.7156 -3.1745 -3.1745 -2.4064 -2.4064 -2.1952 -2.1952 0.3455 0.3455 0.5273 0.5273 1.5465 1.5465 2.0522 2.0522 2.4030 2.4030 2.4340 2.4340 3.1250 3.1250 3.1342 3.1342 3.6256 3.6256 5.7383 5.7383 5.9226 5.9226 6.3185 6.3185 6.4393 6.4393 8.6056 8.6056 13.5230 13.5230 14.8760 14.8760 15.6406 15.6406 15.6585 15.6585 k = 0.4904 0.4904-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3859 -18.3859 -15.8346 -15.8346 -15.7282 -15.7282 -15.7156 -15.7156 -3.1744 -3.1744 -2.4061 -2.4061 -2.1952 -2.1952 0.3467 0.3467 0.5282 0.5282 1.5475 1.5475 2.0513 2.0513 2.4040 2.4040 2.4349 2.4349 3.1246 3.1246 3.1339 3.1339 3.6251 3.6251 5.7376 5.7376 5.9219 5.9219 6.3177 6.3177 6.4390 6.4390 8.6031 8.6031 13.5219 13.5219 14.8692 14.8692 15.6408 15.6408 15.6585 15.6585 k = 0.4808 0.4808-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3861 -18.3861 -15.8352 -15.8352 -15.7281 -15.7281 -15.7156 -15.7156 -3.1739 -3.1739 -2.4053 -2.4053 -2.1954 -2.1954 0.3503 0.3503 0.5311 0.5311 1.5506 1.5506 2.0486 2.0486 2.4069 2.4069 2.4380 2.4380 3.1234 3.1234 3.1331 3.1331 3.6236 3.6236 5.7358 5.7358 5.9199 5.9199 6.3153 6.3153 6.4380 6.4380 8.5958 8.5958 13.5184 13.5184 14.8494 14.8494 15.6410 15.6410 15.6584 15.6584 k = 0.4712 0.4712-0.0000 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3863 -18.3863 -15.8363 -15.8363 -15.7280 -15.7280 -15.7156 -15.7156 -3.1732 -3.1732 -2.4040 -2.4040 -2.1957 -2.1957 0.3562 0.3562 0.5359 0.5359 1.5557 1.5557 2.0442 2.0442 2.4115 2.4115 2.4432 2.4432 3.1211 3.1211 3.1323 3.1323 3.6210 3.6210 5.7328 5.7328 5.9166 5.9166 6.3113 6.3113 6.4364 6.4364 8.5836 8.5836 13.5123 13.5123 14.8180 14.8180 15.6399 15.6399 15.6587 15.6587 k = 0.4615 0.4615-0.0000 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3866 -18.3866 -15.8378 -15.8378 -15.7278 -15.7278 -15.7155 -15.7155 -3.1722 -3.1722 -2.4022 -2.4022 -2.1962 -2.1962 0.3646 0.3646 0.5426 0.5426 1.5629 1.5629 2.0385 2.0385 2.4173 2.4173 2.4510 2.4510 3.1175 3.1175 3.1316 3.1316 3.6176 3.6176 5.7286 5.7286 5.9121 5.9121 6.3058 6.3058 6.4342 6.4342 8.5668 8.5668 13.5030 13.5030 14.7775 14.7775 15.6368 15.6368 15.6595 15.6595 k = 0.4519 0.4519-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4055 -41.4055 -41.4034 -41.4034 -18.3870 -18.3870 -15.8397 -15.8397 -15.7277 -15.7277 -15.7155 -15.7155 -3.1709 -3.1709 -2.3999 -2.3999 -2.1967 -2.1967 0.3752 0.3752 0.5512 0.5512 1.5721 1.5721 2.0315 2.0315 2.4240 2.4240 2.4612 2.4612 3.1124 3.1124 3.1310 3.1310 3.6130 3.6130 5.7232 5.7232 5.9063 5.9063 6.2986 6.2986 6.4313 6.4313 8.5451 8.5451 13.4896 13.4896 14.7305 14.7305 15.6310 15.6310 15.6600 15.6600 k = 0.4423 0.4423-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4055 -41.4055 -41.4034 -41.4034 -18.3875 -18.3875 -15.8420 -15.8420 -15.7274 -15.7274 -15.7155 -15.7155 -3.1694 -3.1694 -2.3971 -2.3971 -2.1973 -2.1973 0.3883 0.3883 0.5616 0.5616 1.5835 1.5835 2.0235 2.0235 2.4314 2.4314 2.4739 2.4739 3.1062 3.1062 3.1307 3.1307 3.6076 3.6076 5.7167 5.7167 5.8991 5.8991 6.2900 6.2900 6.4277 6.4277 8.5189 8.5189 13.4713 13.4713 14.6796 14.6796 15.6227 15.6227 15.6595 15.6595 k = 0.4327 0.4327-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4055 -41.4055 -41.4034 -41.4034 -18.3881 -18.3881 -15.8446 -15.8446 -15.7272 -15.7272 -15.7154 -15.7154 -3.1676 -3.1676 -2.3938 -2.3938 -2.1981 -2.1981 0.4035 0.4035 0.5740 0.5740 1.5968 1.5968 2.0149 2.0149 2.4394 2.4394 2.4887 2.4887 3.0989 3.0989 3.1305 3.1305 3.6012 3.6012 5.7089 5.7089 5.8908 5.8908 6.2798 6.2798 6.4236 6.4236 8.4882 8.4882 13.4468 13.4468 14.6278 14.6278 15.6115 15.6115 15.6575 15.6575 k = 0.4231 0.4231-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4054 -41.4054 -41.4034 -41.4034 -18.3888 -18.3888 -15.8476 -15.8476 -15.7270 -15.7270 -15.7154 -15.7154 -3.1657 -3.1657 -2.3902 -2.3902 -2.1989 -2.1989 0.4211 0.4211 0.5882 0.5882 1.6122 1.6122 2.0057 2.0057 2.4482 2.4482 2.5054 2.5054 3.0908 3.0908 3.1304 3.1304 3.5940 3.5940 5.7001 5.7001 5.8812 5.8812 6.2681 6.2681 6.4188 6.4188 8.4532 8.4532 13.4151 13.4151 14.5776 14.5776 15.5972 15.5972 15.6537 15.6537 k = 0.4135 0.4135-0.0000 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4054 -41.4054 -41.4034 -41.4034 -18.3896 -18.3896 -15.8508 -15.8508 -15.7268 -15.7268 -15.7154 -15.7154 -3.1636 -3.1636 -2.3861 -2.3861 -2.1999 -2.1999 0.4408 0.4408 0.6043 0.6043 1.6296 1.6296 1.9963 1.9963 2.4577 2.4577 2.5237 2.5237 3.0820 3.0820 3.1303 3.1303 3.5859 3.5859 5.6901 5.6901 5.8704 5.8704 6.2549 6.2549 6.4133 6.4133 8.4139 8.4139 13.3749 13.3749 14.5311 14.5311 15.5795 15.5795 15.6482 15.6482 k = 0.4038 0.4038-0.0000 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4053 -41.4053 -41.4034 -41.4034 -18.3905 -18.3905 -15.8542 -15.8542 -15.7267 -15.7267 -15.7155 -15.7155 -3.1613 -3.1613 -2.3818 -2.3818 -2.2009 -2.2009 0.4626 0.4626 0.6221 0.6221 1.6490 1.6490 1.9866 1.9866 2.4681 2.4681 2.5433 2.5433 3.0725 3.0725 3.1303 3.1303 3.5770 3.5770 5.6789 5.6789 5.8583 5.8583 6.2401 6.2401 6.4071 6.4071 8.3705 8.3705 13.3256 13.3256 14.4900 14.4900 15.5581 15.5581 15.6409 15.6409 k = 0.3942 0.3942-0.0000 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4053 -41.4053 -41.4033 -41.4033 -18.3914 -18.3914 -15.8579 -15.8579 -15.7265 -15.7265 -15.7155 -15.7155 -3.1588 -3.1588 -2.3771 -2.3771 -2.2020 -2.2020 0.4865 0.4865 0.6416 0.6416 1.6704 1.6704 1.9770 1.9770 2.4793 2.4793 2.5641 2.5641 3.0626 3.0626 3.1304 3.1304 3.5674 3.5674 5.6667 5.6667 5.8452 5.8452 6.2240 6.2240 6.4003 6.4003 8.3233 8.3233 13.2667 13.2667 14.4554 14.4554 15.5326 15.5326 15.6322 15.6322 k = 0.3846 0.3846-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4052 -41.4052 -41.4033 -41.4033 -18.3925 -18.3925 -15.8618 -15.8618 -15.7264 -15.7264 -15.7156 -15.7156 -3.1563 -3.1563 -2.3722 -2.3722 -2.2031 -2.2031 0.5125 0.5125 0.6630 0.6630 1.6937 1.6937 1.9674 1.9674 2.4915 2.4915 2.5859 2.5859 3.0525 3.0525 3.1306 3.1306 3.5571 3.5571 5.6534 5.6534 5.8309 5.8309 6.2065 6.2065 6.3928 6.3928 8.2725 8.2725 13.1984 13.1984 14.4276 14.4276 15.5029 15.5029 15.6222 15.6222 k = 0.3750 0.3750-0.0000 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4052 -41.4052 -41.4033 -41.4033 -18.3936 -18.3936 -15.8658 -15.8658 -15.7264 -15.7264 -15.7157 -15.7157 -3.1537 -3.1537 -2.3671 -2.3671 -2.2044 -2.2044 0.5404 0.5404 0.6860 0.6860 1.7190 1.7190 1.9581 1.9581 2.5046 2.5046 2.6084 2.6084 3.0423 3.0423 3.1308 3.1308 3.5462 3.5462 5.6391 5.6391 5.8155 5.8155 6.1876 6.1876 6.3846 6.3846 8.2182 8.2182 13.1213 13.1213 14.4064 14.4064 15.4687 15.4687 15.6113 15.6113 k = 0.3654 0.3654-0.0000 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4051 -41.4051 -41.4033 -41.4033 -18.3948 -18.3948 -15.8699 -15.8699 -15.7263 -15.7263 -15.7159 -15.7159 -3.1510 -3.1510 -2.3618 -2.3618 -2.2056 -2.2056 0.5701 0.5701 0.7106 0.7106 1.7463 1.7463 1.9489 1.9489 2.5184 2.5184 2.6317 2.6317 3.0321 3.0321 3.1312 3.1312 3.5346 3.5346 5.6237 5.6237 5.7990 5.7990 6.1674 6.1674 6.3758 6.3758 8.1605 8.1605 13.0363 13.0363 14.3910 14.3910 15.4301 15.4301 15.6000 15.6000 k = 0.3558 0.3558-0.0000 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4050 -41.4050 -41.4033 -41.4033 -18.3961 -18.3961 -15.8742 -15.8742 -15.7263 -15.7263 -15.7162 -15.7162 -3.1484 -3.1484 -2.3565 -2.3565 -2.2069 -2.2069 0.6015 0.6015 0.7368 0.7368 1.7754 1.7754 1.9401 1.9401 2.5331 2.5331 2.6556 2.6556 3.0222 3.0222 3.1316 3.1316 3.5226 3.5226 5.6073 5.6073 5.7815 5.7815 6.1459 6.1459 6.3662 6.3662 8.0998 8.0998 12.9444 12.9444 14.3803 14.3803 15.3871 15.3871 15.5887 15.5887 k = 0.3462 0.3462-0.0000 ( 4102 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4049 -41.4049 -41.4032 -41.4032 -18.3975 -18.3975 -15.8786 -15.8786 -15.7264 -15.7264 -15.7165 -15.7165 -3.1457 -3.1457 -2.3511 -2.3511 -2.2083 -2.2083 0.6346 0.6346 0.7645 0.7645 1.8063 1.8063 1.9317 1.9317 2.5487 2.5487 2.6800 2.6800 3.0126 3.0126 3.1321 3.1321 3.5100 3.5100 5.5900 5.5900 5.7629 5.7629 6.1231 6.1231 6.3559 6.3559 8.0362 8.0362 12.8470 12.8470 14.3731 14.3731 15.3398 15.3398 15.5779 15.5779 k = 0.3365 0.3365-0.0000 ( 4108 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4049 -41.4049 -41.4032 -41.4032 -18.3990 -18.3990 -15.8830 -15.8830 -15.7264 -15.7264 -15.7168 -15.7168 -3.1431 -3.1431 -2.3457 -2.3457 -2.2096 -2.2096 0.6693 0.6693 0.7938 0.7938 1.8389 1.8389 1.9239 1.9239 2.5651 2.5651 2.7047 2.7047 3.0037 3.0037 3.1328 3.1328 3.4971 3.4971 5.5717 5.5717 5.7433 5.7433 6.0991 6.0991 6.3448 6.3448 7.9699 7.9699 12.7449 12.7449 14.3682 14.3682 15.2886 15.2886 15.5680 15.5680 k = 0.3269 0.3269-0.0000 ( 4108 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4048 -41.4048 -41.4032 -41.4032 -18.4006 -18.4006 -15.8875 -15.8875 -15.7265 -15.7265 -15.7172 -15.7172 -3.1405 -3.1405 -2.3404 -2.3404 -2.2110 -2.2110 0.7055 0.7055 0.8245 0.8245 1.8724 1.8724 1.9173 1.9173 2.5823 2.5823 2.7299 2.7299 2.9955 2.9955 3.1336 3.1336 3.4840 3.4840 5.5526 5.5526 5.7229 5.7229 6.0741 6.0741 6.3331 6.3331 7.9011 7.9011 12.6393 12.6393 14.3644 14.3644 15.2337 15.2337 15.5598 15.5598 k = 0.3173 0.3173-0.0000 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4047 -41.4047 -41.4032 -41.4032 -18.4022 -18.4022 -15.8920 -15.8920 -15.7266 -15.7266 -15.7177 -15.7177 -3.1380 -3.1380 -2.3352 -2.3352 -2.2125 -2.2125 0.7430 0.7430 0.8566 0.8566 1.8988 1.8988 1.9202 1.9202 2.6002 2.6002 2.7553 2.7553 2.9881 2.9881 3.1346 3.1346 3.4706 3.4706 5.5326 5.5326 5.7015 5.7015 6.0481 6.0481 6.3207 6.3207 7.8302 7.8302 12.5310 12.5310 14.3607 14.3607 15.1754 15.1754 15.5536 15.5536 k = 0.3077 0.3077-0.0000 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4046 -41.4046 -41.4031 -41.4031 -18.4039 -18.4039 -15.8965 -15.8965 -15.7267 -15.7267 -15.7182 -15.7182 -3.1356 -3.1356 -2.3301 -2.3301 -2.2139 -2.2139 0.7818 0.7818 0.8901 0.8901 1.8981 1.8981 1.9523 1.9523 2.6189 2.6189 2.7809 2.7809 2.9818 2.9818 3.1359 3.1359 3.4570 3.4570 5.5119 5.5119 5.6793 5.6793 6.0211 6.0211 6.3075 6.3075 7.7572 7.7572 12.4208 12.4208 14.3562 14.3562 15.1143 15.1143 15.5501 15.5501 k = 0.2981 0.2981-0.0000 ( 4102 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4045 -41.4045 -41.4031 -41.4031 -18.4057 -18.4057 -15.9010 -15.9010 -15.7269 -15.7269 -15.7187 -15.7187 -3.1333 -3.1333 -2.3253 -2.3253 -2.2154 -2.2154 0.8216 0.8216 0.9246 0.9246 1.8925 1.8925 1.9915 1.9915 2.6382 2.6382 2.8066 2.8066 2.9766 2.9766 3.1372 3.1372 3.4433 3.4433 5.4904 5.4904 5.6562 5.6562 5.9932 5.9932 6.2936 6.2936 7.6824 7.6824 12.3091 12.3091 14.3499 14.3499 15.0508 15.0508 15.5496 15.5496 k = 0.2885 0.2885-0.0000 ( 4102 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4044 -41.4044 -41.4031 -41.4031 -18.4075 -18.4075 -15.9055 -15.9055 -15.7270 -15.7270 -15.7193 -15.7193 -3.1312 -3.1312 -2.3206 -2.3206 -2.2169 -2.2169 0.8624 0.8624 0.9604 0.9604 1.8866 1.8866 2.0329 2.0329 2.6582 2.6582 2.8324 2.8324 2.9726 2.9726 3.1389 3.1389 3.4297 3.4297 5.4683 5.4683 5.6324 5.6324 5.9645 5.9645 6.2789 6.2789 7.6059 7.6059 12.1967 12.1967 14.3413 14.3413 14.9853 14.9853 15.5527 15.5527 k = 0.2788 0.2788-0.0000 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4043 -41.4043 -41.4031 -41.4031 -18.4094 -18.4094 -15.9099 -15.9099 -15.7272 -15.7272 -15.7199 -15.7199 -3.1292 -3.1292 -2.3163 -2.3163 -2.2184 -2.2184 0.9041 0.9041 0.9973 0.9973 1.8810 1.8810 2.0761 2.0761 2.6788 2.6788 2.8582 2.8582 2.9700 2.9700 3.1408 3.1408 3.4161 3.4161 5.4456 5.4456 5.6078 5.6078 5.9351 5.9351 6.2636 6.2636 7.5281 7.5281 12.0841 12.0841 14.3299 14.3299 14.9182 14.9182 15.5597 15.5597 k = 0.2692 0.2692-0.0000 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4043 -41.4043 -41.4030 -41.4030 -18.4113 -18.4113 -15.9143 -15.9143 -15.7274 -15.7274 -15.7205 -15.7205 -3.1274 -3.1274 -2.3122 -2.3122 -2.2200 -2.2200 0.9465 0.9465 1.0351 1.0351 1.8758 1.8758 2.1209 2.1209 2.7000 2.7000 2.8840 2.8840 2.9687 2.9687 3.1430 3.1430 3.4026 3.4026 5.4224 5.4224 5.5826 5.5826 5.9050 5.9050 6.2476 6.2476 7.4492 7.4492 11.9715 11.9715 14.3154 14.3154 14.8500 14.8500 15.5706 15.5706 k = 0.2596 0.2596-0.0000 ( 4084 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4042 -41.4042 -41.4030 -41.4030 -18.4133 -18.4133 -15.9187 -15.9187 -15.7276 -15.7276 -15.7212 -15.7212 -3.1257 -3.1257 -2.3084 -2.3084 -2.2216 -2.2216 0.9894 0.9894 1.0737 1.0737 1.8709 1.8709 2.1672 2.1672 2.7217 2.7217 2.9097 2.9097 2.9689 2.9689 3.1454 3.1454 3.3894 3.3894 5.3986 5.3986 5.5566 5.5566 5.8743 5.8743 6.2308 6.2308 7.3692 7.3692 11.8594 11.8594 14.2976 14.2976 14.7810 14.7810 15.5857 15.5857 k = 0.2500 0.2500-0.0000 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4041 -41.4041 -41.4030 -41.4030 -18.4153 -18.4153 -15.9230 -15.9230 -15.7278 -15.7278 -15.7218 -15.7218 -3.1243 -3.1243 -2.3049 -2.3049 -2.2233 -2.2233 1.0328 1.0328 1.1131 1.1131 1.8664 1.8664 2.2148 2.2148 2.7438 2.7438 2.9352 2.9352 2.9707 2.9707 3.1482 3.1482 3.3765 3.3765 5.3744 5.3744 5.5301 5.5301 5.8431 5.8431 6.2134 6.2134 7.2885 7.2885 11.7482 11.7482 14.2765 14.2765 14.7118 14.7118 15.6048 15.6048 k = 0.2404 0.2404-0.0000 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4040 -41.4040 -41.4030 -41.4030 -18.4173 -18.4173 -15.9271 -15.9271 -15.7280 -15.7280 -15.7225 -15.7225 -3.1230 -3.1230 -2.3018 -2.3018 -2.2251 -2.2251 1.0763 1.0763 1.1531 1.1531 1.8622 1.8622 2.2636 2.2636 2.7663 2.7663 2.9604 2.9604 2.9740 2.9740 3.1513 3.1513 3.3639 3.3639 5.3499 5.3499 5.5029 5.5029 5.8115 5.8115 6.1953 6.1953 7.2072 7.2072 11.6381 11.6381 14.2524 14.2524 14.6426 14.6426 15.6278 15.6278 k = 0.2308 0.2308-0.0000 ( 4082 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4039 -41.4039 -41.4029 -41.4029 -18.4194 -18.4194 -15.9313 -15.9313 -15.7282 -15.7282 -15.7232 -15.7232 -3.1219 -3.1219 -2.2989 -2.2989 -2.2270 -2.2270 1.1200 1.1200 1.1936 1.1936 1.8585 1.8585 2.3136 2.3136 2.7891 2.7891 2.9784 2.9784 2.9858 2.9858 3.1548 3.1548 3.3517 3.3517 5.3250 5.3250 5.4752 5.4752 5.7796 5.7796 6.1766 6.1766 7.1257 7.1257 11.5295 11.5295 14.2254 14.2254 14.5738 14.5738 15.6546 15.6546 k = 0.2212 0.2212-0.0000 ( 4078 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4038 -41.4038 -41.4029 -41.4029 -18.4214 -18.4214 -15.9353 -15.9353 -15.7284 -15.7284 -15.7238 -15.7238 -3.1210 -3.1210 -2.2963 -2.2963 -2.2290 -2.2290 1.1635 1.1635 1.2345 1.2345 1.8552 1.8552 2.3646 2.3646 2.8122 2.8122 2.9848 2.9848 3.0103 3.0103 3.1587 3.1587 3.3402 3.3402 5.3001 5.3001 5.4470 5.4470 5.7475 5.7475 6.1574 6.1574 7.0441 7.0441 11.4226 11.4226 14.1960 14.1960 14.5057 14.5057 15.6849 15.6849 k = 0.2115 0.2115-0.0000 ( 4082 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4037 -41.4037 -41.4029 -41.4029 -18.4235 -18.4235 -15.9392 -15.9392 -15.7286 -15.7286 -15.7245 -15.7245 -3.1203 -3.1203 -2.2940 -2.2940 -2.2312 -2.2312 1.2068 1.2068 1.2755 1.2755 1.8521 1.8521 2.4164 2.4164 2.8354 2.8354 2.9926 2.9926 3.0346 3.0346 3.1630 3.1630 3.3292 3.3292 5.2749 5.2749 5.4183 5.4183 5.7153 5.7153 6.1377 6.1377 6.9626 6.9626 11.3176 11.3176 14.1643 14.1643 14.4386 14.4386 15.7184 15.7184 k = 0.2019 0.2019-0.0000 ( 4074 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4036 -41.4036 -41.4028 -41.4028 -18.4256 -18.4256 -15.9429 -15.9429 -15.7288 -15.7288 -15.7251 -15.7251 -3.1197 -3.1197 -2.2919 -2.2919 -2.2334 -2.2334 1.2497 1.2497 1.3167 1.3167 1.8495 1.8495 2.4689 2.4689 2.8589 2.8589 3.0018 3.0018 3.0584 3.0584 3.1677 3.1677 3.3189 3.3189 5.2498 5.2498 5.3893 5.3893 5.6833 5.6833 6.1175 6.1175 6.8816 6.8816 11.2149 11.2149 14.1309 14.1309 14.3728 14.3728 15.7548 15.7548 k = 0.1923 0.1923-0.0000 ( 4078 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4035 -41.4035 -41.4028 -41.4028 -18.4277 -18.4277 -15.9466 -15.9466 -15.7290 -15.7290 -15.7257 -15.7257 -3.1193 -3.1193 -2.2901 -2.2901 -2.2358 -2.2358 1.2920 1.2920 1.3576 1.3576 1.8471 1.8471 2.5219 2.5219 2.8823 2.8823 3.0123 3.0123 3.0816 3.0816 3.1728 3.1728 3.3095 3.3095 5.2247 5.2247 5.3599 5.3599 5.6513 5.6513 6.0969 6.0969 6.8012 6.8012 11.1147 11.1147 14.0962 14.0962 14.3085 14.3085 15.7938 15.7938 k = 0.1827 0.1827-0.0000 ( 4066 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4034 -41.4034 -41.4028 -41.4028 -18.4297 -18.4297 -15.9501 -15.9501 -15.7292 -15.7292 -15.7262 -15.7262 -3.1191 -3.1191 -2.2885 -2.2885 -2.2383 -2.2383 1.3336 1.3336 1.3982 1.3982 1.8452 1.8452 2.5752 2.5752 2.9057 2.9057 3.0242 3.0242 3.1042 3.1042 3.1783 3.1783 3.3011 3.3011 5.1999 5.1999 5.3303 5.3303 5.6197 5.6197 6.0760 6.0760 6.7218 6.7218 11.0172 11.0172 14.0606 14.0606 14.2460 14.2460 15.8351 15.8351 k = 0.1731 0.1731-0.0000 ( 4070 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4034 -41.4034 -41.4028 -41.4028 -18.4317 -18.4317 -15.9535 -15.9535 -15.7294 -15.7294 -15.7268 -15.7268 -3.1191 -3.1191 -2.2871 -2.2871 -2.2409 -2.2409 1.3742 1.3742 1.4383 1.4383 1.8435 1.8435 2.6285 2.6285 2.9289 2.9289 3.0372 3.0372 3.1260 3.1260 3.1841 3.1841 3.2938 3.2938 5.1752 5.1752 5.3003 5.3003 5.5884 5.5884 6.0548 6.0548 6.6434 6.6434 10.9227 10.9227 14.0244 14.0244 14.1855 14.1855 15.8783 15.8783 k = 0.1635 0.1635-0.0000 ( 4074 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4033 -41.4033 -41.4027 -41.4027 -18.4337 -18.4337 -15.9568 -15.9568 -15.7296 -15.7296 -15.7273 -15.7273 -3.1192 -3.1192 -2.2858 -2.2858 -2.2437 -2.2437 1.4137 1.4137 1.4778 1.4778 1.8420 1.8420 2.6816 2.6816 2.9519 2.9519 3.0513 3.0513 3.1469 3.1469 3.1901 3.1901 3.2880 3.2880 5.1508 5.1508 5.2702 5.2702 5.5577 5.5577 6.0335 6.0335 6.5665 6.5665 10.8314 10.8314 13.9880 13.9880 14.1272 14.1272 15.9233 15.9233 k = 0.1538 0.1538-0.0000 ( 4070 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4032 -41.4032 -41.4027 -41.4027 -18.4356 -18.4356 -15.9599 -15.9599 -15.7297 -15.7297 -15.7278 -15.7278 -3.1194 -3.1194 -2.2847 -2.2847 -2.2465 -2.2465 1.4520 1.4520 1.5163 1.5163 1.8410 1.8410 2.7341 2.7341 2.9745 2.9745 3.0663 3.0663 3.1664 3.1664 3.1963 3.1963 3.2840 3.2840 5.1269 5.1269 5.2401 5.2401 5.5278 5.5278 6.0122 6.0122 6.4913 6.4913 10.7435 10.7435 13.9517 13.9517 14.0713 14.0713 15.9697 15.9697 k = 0.1442 0.1442-0.0000 ( 4066 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4031 -41.4031 -41.4027 -41.4027 -18.4375 -18.4375 -15.9629 -15.9629 -15.7299 -15.7299 -15.7282 -15.7282 -3.1197 -3.1197 -2.2837 -2.2837 -2.2493 -2.2493 1.4888 1.4888 1.5537 1.5537 1.8402 1.8402 2.7858 2.7858 2.9967 2.9967 3.0823 3.0823 3.1837 3.1837 3.2032 3.2032 3.2822 3.2822 5.1037 5.1037 5.2099 5.2099 5.4987 5.4987 5.9910 5.9910 6.4181 6.4181 10.6594 10.6594 13.9160 13.9160 14.0180 14.0180 16.0171 16.0171 k = 0.1346 0.1346-0.0000 ( 4064 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4031 -41.4031 -41.4027 -41.4027 -18.4393 -18.4393 -15.9656 -15.9656 -15.7301 -15.7301 -15.7286 -15.7286 -3.1201 -3.1201 -2.2829 -2.2829 -2.2522 -2.2522 1.5239 1.5239 1.5897 1.5897 1.8398 1.8398 2.8362 2.8362 3.0184 3.0184 3.0989 3.0989 3.1960 3.1960 3.2131 3.2131 3.2831 3.2831 5.0810 5.0810 5.1799 5.1799 5.4706 5.4706 5.9700 5.9700 6.3472 6.3472 10.5792 10.5792 13.8811 13.8811 13.9673 13.9673 16.0653 16.0653 k = 0.1250 0.1250-0.0000 ( 4054 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4030 -41.4030 -41.4027 -41.4027 -18.4410 -18.4410 -15.9683 -15.9683 -15.7302 -15.7302 -15.7290 -15.7290 -3.1206 -3.1206 -2.2821 -2.2821 -2.2551 -2.2551 1.5573 1.5573 1.6243 1.6243 1.8397 1.8397 2.8849 2.8849 3.0393 3.0393 3.1162 3.1162 3.2018 3.2018 3.2269 3.2269 3.2870 3.2870 5.0592 5.0592 5.1502 5.1502 5.4437 5.4437 5.9494 5.9494 6.2790 6.2790 10.5033 10.5033 13.8474 13.8474 13.9196 13.9196 16.1140 16.1140 k = 0.1154 0.1154-0.0000 ( 4044 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4029 -41.4029 -41.4026 -41.4026 -18.4426 -18.4426 -15.9707 -15.9707 -15.7303 -15.7303 -15.7293 -15.7293 -3.1211 -3.1211 -2.2815 -2.2815 -2.2579 -2.2579 1.5886 1.5886 1.6571 1.6571 1.8400 1.8400 2.9313 2.9313 3.0595 3.0595 3.1341 3.1341 3.2043 3.2043 3.2418 3.2418 3.2937 3.2937 5.0383 5.0383 5.1209 5.1209 5.4180 5.4180 5.9293 5.9293 6.2138 6.2138 10.4317 10.4317 13.8150 13.8150 13.8748 13.8748 16.1627 16.1627 k = 0.1058 0.1058-0.0000 ( 4044 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4029 -41.4029 -41.4026 -41.4026 -18.4441 -18.4441 -15.9730 -15.9730 -15.7304 -15.7304 -15.7296 -15.7296 -3.1217 -3.1217 -2.2809 -2.2809 -2.2607 -2.2607 1.6176 1.6176 1.6880 1.6880 1.8406 1.8406 2.9748 2.9748 3.0788 3.0788 3.1522 3.1522 3.2052 3.2052 3.2564 3.2564 3.3027 3.3027 5.0184 5.0184 5.0922 5.0922 5.3938 5.3938 5.9099 5.9099 6.1519 6.1519 10.3649 10.3649 13.7842 13.7842 13.8332 13.8332 16.2110 16.2110 k = 0.0962 0.0962-0.0000 ( 4040 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4028 -41.4028 -41.4026 -41.4026 -18.4456 -18.4456 -15.9751 -15.9751 -15.7305 -15.7305 -15.7298 -15.7298 -3.1223 -3.1223 -2.2804 -2.2804 -2.2634 -2.2634 1.6443 1.6443 1.7169 1.7169 1.8415 1.8415 3.0147 3.0147 3.0970 3.0970 3.1703 3.1703 3.2058 3.2058 3.2707 3.2707 3.3133 3.3133 4.9996 4.9996 5.0644 5.0644 5.3711 5.3711 5.8913 5.8913 6.0937 6.0937 10.3029 10.3029 13.7554 13.7554 13.7949 13.7949 16.2585 16.2585 k = 0.0865 0.0865-0.0000 ( 4036 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4026 -41.4026 -18.4469 -18.4469 -15.9770 -15.9770 -15.7306 -15.7306 -15.7301 -15.7301 -3.1229 -3.1229 -2.2800 -2.2800 -2.2660 -2.2660 1.6684 1.6684 1.7435 1.7435 1.8429 1.8429 3.0505 3.0505 3.1140 3.1140 3.1865 3.1865 3.2081 3.2081 3.2850 3.2850 3.3244 3.3244 4.9822 4.9822 5.0377 5.0377 5.3501 5.3501 5.8738 5.8738 6.0395 6.0395 10.2461 10.2461 13.7286 13.7286 13.7599 13.7599 16.3046 16.3046 k = 0.0769 0.0769-0.0000 ( 4038 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4026 -41.4026 -18.4481 -18.4481 -15.9788 -15.9788 -15.7307 -15.7307 -15.7303 -15.7303 -3.1235 -3.1235 -2.2796 -2.2796 -2.2684 -2.2684 1.6896 1.6896 1.7677 1.7677 1.8448 1.8448 3.0815 3.0815 3.1296 3.1296 3.1953 3.1953 3.2177 3.2177 3.2994 3.2994 3.3357 3.3357 4.9660 4.9660 5.0123 5.0123 5.3309 5.3309 5.8575 5.8575 5.9897 5.9897 10.1946 10.1946 13.7041 13.7041 13.7283 13.7283 16.3487 16.3487 k = 0.0673 0.0673-0.0000 ( 4038 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4026 -41.4026 -18.4491 -18.4491 -15.9803 -15.9803 -15.7308 -15.7308 -15.7304 -15.7304 -3.1241 -3.1241 -2.2793 -2.2793 -2.2706 -2.2706 1.7080 1.7080 1.7894 1.7894 1.8470 1.8470 3.1077 3.1077 3.1437 3.1437 3.1975 3.1975 3.2336 3.2336 3.3140 3.3140 3.3464 3.3464 4.9515 4.9515 4.9887 4.9887 5.3136 5.3136 5.8426 5.8426 5.9447 5.9447 10.1487 10.1487 13.6821 13.6821 13.7002 13.7002 16.3901 16.3901 k = 0.0577 0.0577-0.0000 ( 4052 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4501 -18.4501 -15.9816 -15.9816 -15.7309 -15.7309 -15.7306 -15.7306 -3.1246 -3.1246 -2.2790 -2.2790 -2.2725 -2.2725 1.7234 1.7234 1.8084 1.8084 1.8496 1.8496 3.1289 3.1289 3.1557 3.1557 3.1982 3.1982 3.2499 3.2499 3.3290 3.3290 3.3564 3.3564 4.9385 4.9385 4.9671 4.9671 5.2983 5.2983 5.8292 5.8292 5.9049 5.9049 10.1084 10.1084 13.6626 13.6626 13.6758 13.6758 16.4280 16.4280 k = 0.0481 0.0481-0.0000 ( 4042 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4509 -18.4509 -15.9828 -15.9828 -15.7309 -15.7309 -15.7307 -15.7307 -3.1251 -3.1251 -2.2788 -2.2788 -2.2742 -2.2742 1.7360 1.7360 1.8247 1.8247 1.8526 1.8526 3.1459 3.1459 3.1655 3.1655 3.1993 3.1993 3.2646 3.2646 3.3438 3.3438 3.3654 3.3654 4.9274 4.9274 4.9480 4.9480 5.2852 5.2852 5.8176 5.8176 5.8706 5.8706 10.0741 10.0741 13.6460 13.6460 13.6550 13.6550 16.4616 16.4616 k = 0.0385 0.0385-0.0000 ( 4054 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4025 -41.4025 -18.4516 -18.4516 -15.9837 -15.9837 -15.7310 -15.7310 -15.7308 -15.7308 -3.1255 -3.1255 -2.2786 -2.2786 -2.2757 -2.2757 1.7457 1.7457 1.8382 1.8382 1.8555 1.8555 3.1589 3.1589 3.1725 3.1725 3.2012 3.2012 3.2767 3.2767 3.3577 3.3577 3.3730 3.3730 4.9181 4.9181 4.9317 4.9317 5.2743 5.2743 5.8078 5.8078 5.8420 5.8420 10.0458 10.0458 13.6322 13.6322 13.6379 13.6379 16.4900 16.4900 k = 0.0288 0.0288-0.0000 ( 4052 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4025 -41.4025 -18.4521 -18.4521 -15.9844 -15.9844 -15.7310 -15.7310 -15.7309 -15.7309 -3.1258 -3.1258 -2.2785 -2.2785 -2.2768 -2.2768 1.7530 1.7530 1.8487 1.8487 1.8582 1.8582 3.1686 3.1686 3.1769 3.1769 3.2040 3.2040 3.2861 3.2861 3.3699 3.3699 3.3792 3.3792 4.9108 4.9108 4.9186 4.9186 5.2658 5.2658 5.8001 5.8001 5.8194 5.8194 10.0236 10.0236 13.6214 13.6214 13.6245 13.6245 16.5120 16.5120 k = 0.0192 0.0192-0.0000 ( 4054 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4524 -18.4524 -15.9849 -15.9849 -15.7310 -15.7310 -15.7310 -15.7310 -3.1261 -3.1261 -2.2784 -2.2784 -2.2776 -2.2776 1.7579 1.7579 1.8563 1.8563 1.8604 1.8604 3.1753 3.1753 3.1792 3.1792 3.2068 3.2068 3.2928 3.2928 3.3794 3.3794 3.3837 3.3837 4.9055 4.9055 4.9091 4.9091 5.2596 5.2596 5.7945 5.7945 5.8031 5.8031 10.0077 10.0077 13.6136 13.6136 13.6150 13.6150 16.5267 16.5267 k = 0.0096 0.0096-0.0000 ( 4067 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4527 -18.4527 -15.9853 -15.9853 -15.7310 -15.7310 -15.7310 -15.7310 -3.1262 -3.1262 -2.2783 -2.2783 -2.2782 -2.2782 1.7607 1.7607 1.8608 1.8608 1.8618 1.8618 3.1792 3.1792 3.1802 3.1802 3.2089 3.2089 3.2967 3.2967 3.3854 3.3854 3.3865 3.3865 4.9022 4.9022 4.9031 4.9031 5.2559 5.2559 5.7911 5.7911 5.7932 5.7932 9.9982 9.9982 13.6089 13.6089 13.6092 13.6092 16.5335 16.5335 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4528 -18.4528 -15.9854 -15.9854 -15.7311 -15.7311 -15.7311 -15.7311 -3.1263 -3.1263 -2.2783 -2.2783 -2.2783 -2.2783 1.7616 1.7616 1.8623 1.8623 1.8623 1.8623 3.1805 3.1805 3.1805 3.1805 3.2096 3.2096 3.2980 3.2980 3.3874 3.3874 3.3874 3.3874 4.9011 4.9011 4.9011 4.9011 5.2546 5.2546 5.7899 5.7899 5.7899 5.7899 9.9950 9.9950 13.6073 13.6073 13.6073 13.6073 16.5351 16.5351 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4528 -18.4528 -15.9854 -15.9854 -15.7311 -15.7311 -15.7311 -15.7311 -3.1263 -3.1263 -2.2783 -2.2783 -2.2783 -2.2783 1.7616 1.7616 1.8623 1.8623 1.8623 1.8623 3.1805 3.1805 3.1805 3.1805 3.2096 3.2096 3.2980 3.2980 3.3874 3.3874 3.3874 3.3874 4.9011 4.9011 4.9011 4.9011 5.2546 5.2546 5.7899 5.7899 5.7899 5.7899 9.9950 9.9950 13.6073 13.6073 13.6073 13.6073 16.5351 16.5351 k = 0.0078 0.0078 0.0078 ( 4067 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4527 -18.4527 -15.9853 -15.9853 -15.7310 -15.7310 -15.7310 -15.7310 -3.1262 -3.1262 -2.2783 -2.2783 -2.2782 -2.2782 1.7607 1.7607 1.8612 1.8612 1.8614 1.8614 3.1792 3.1792 3.1803 3.1803 3.2089 3.2089 3.2967 3.2967 3.3854 3.3854 3.3864 3.3864 4.9025 4.9025 4.9028 4.9028 5.2559 5.2559 5.7921 5.7921 5.7922 5.7922 9.9982 9.9982 13.6090 13.6090 13.6091 13.6091 16.5335 16.5335 k = 0.0156 0.0156 0.0156 ( 4052 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4025 -41.4025 -41.4025 -41.4025 -18.4524 -18.4524 -15.9849 -15.9849 -15.7310 -15.7310 -15.7310 -15.7310 -3.1261 -3.1261 -2.2784 -2.2784 -2.2776 -2.2776 1.7580 1.7580 1.8581 1.8581 1.8586 1.8586 3.1752 3.1752 3.1793 3.1793 3.2069 3.2069 3.2929 3.2929 3.3796 3.3796 3.3836 3.3836 4.9066 4.9066 4.9078 4.9078 5.2596 5.2596 5.7986 5.7986 5.7989 5.7989 10.0076 10.0076 13.6142 13.6142 13.6143 13.6143 16.5257 16.5257 k = 0.0234 0.0234 0.0234 ( 4052 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4521 -18.4521 -15.9844 -15.9844 -15.7310 -15.7310 -15.7309 -15.7309 -3.1258 -3.1258 -2.2786 -2.2786 -2.2768 -2.2768 1.7534 1.7534 1.8527 1.8527 1.8540 1.8540 3.1685 3.1685 3.1768 3.1768 3.2044 3.2044 3.2862 3.2862 3.3702 3.3702 3.3791 3.3791 4.9132 4.9132 4.9161 4.9161 5.2657 5.2657 5.8093 5.8093 5.8100 5.8100 10.0233 10.0233 13.6227 13.6227 13.6229 13.6229 16.5087 16.5087 k = 0.0312 0.0312 0.0312 ( 4052 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4516 -18.4516 -15.9837 -15.9837 -15.7310 -15.7310 -15.7308 -15.7308 -3.1255 -3.1255 -2.2788 -2.2788 -2.2756 -2.2756 1.7470 1.7470 1.8453 1.8453 1.8474 1.8474 3.1591 3.1591 3.1716 3.1716 3.2025 3.2025 3.2767 3.2767 3.3580 3.3580 3.3731 3.3731 4.9223 4.9223 4.9273 4.9273 5.2740 5.2740 5.8242 5.8242 5.8253 5.8253 10.0452 10.0452 13.6346 13.6346 13.6350 13.6350 16.4833 16.4833 k = 0.0391 0.0391 0.0391 ( 4046 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4509 -18.4509 -15.9828 -15.9828 -15.7309 -15.7309 -15.7307 -15.7307 -3.1251 -3.1251 -2.2790 -2.2790 -2.2741 -2.2741 1.7388 1.7388 1.8358 1.8358 1.8391 1.8391 3.1470 3.1470 3.1628 3.1628 3.2021 3.2021 3.2637 3.2637 3.3438 3.3438 3.3658 3.3658 4.9338 4.9338 4.9415 4.9415 5.2847 5.2847 5.8431 5.8431 5.8449 5.8449 10.0732 10.0732 13.6498 13.6498 13.6505 13.6505 16.4513 16.4513 k = 0.0469 0.0469 0.0469 ( 4049 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4501 -18.4501 -15.9816 -15.9816 -15.7309 -15.7309 -15.7306 -15.7306 -3.1247 -3.1247 -2.2794 -2.2794 -2.2723 -2.2723 1.7287 1.7287 1.8243 1.8243 1.8289 1.8289 3.1323 3.1323 3.1503 3.1503 3.2031 3.2031 3.2467 3.2467 3.3289 3.3289 3.3576 3.3576 4.9476 4.9476 4.9582 4.9582 5.2974 5.2974 5.8660 5.8660 5.8685 5.8685 10.1071 10.1071 13.6684 13.6684 13.6693 13.6693 16.4140 16.4140 k = 0.0547 0.0547 0.0547 ( 4037 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4492 -18.4492 -15.9803 -15.9803 -15.7308 -15.7308 -15.7305 -15.7305 -3.1242 -3.1242 -2.2798 -2.2798 -2.2702 -2.2702 1.7170 1.7170 1.8108 1.8108 1.8169 1.8169 3.1150 3.1150 3.1345 3.1345 3.2052 3.2052 3.2250 3.2250 3.3145 3.3145 3.3489 3.3489 4.9636 4.9636 4.9775 4.9775 5.3121 5.3121 5.8928 5.8928 5.8960 5.8960 10.1467 10.1467 13.6901 13.6901 13.6913 13.6913 16.3729 16.3729 k = 0.0625 0.0625 0.0625 ( 4043 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4026 -41.4026 -41.4026 -41.4026 -18.4481 -18.4481 -15.9787 -15.9787 -15.7308 -15.7308 -15.7303 -15.7303 -3.1236 -3.1236 -2.2803 -2.2803 -2.2679 -2.2679 1.7034 1.7034 1.7954 1.7954 1.8031 1.8031 3.0952 3.0952 3.1156 3.1156 3.1983 3.1983 3.2084 3.2084 3.3012 3.3012 3.3398 3.3398 4.9814 4.9814 4.9988 4.9988 5.3286 5.3286 5.9232 5.9232 5.9272 5.9272 10.1920 10.1920 13.7150 13.7150 13.7166 13.7166 16.3291 16.3291 k = 0.0703 0.0703 0.0703 ( 4043 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4027 -41.4027 -18.4469 -18.4469 -15.9769 -15.9769 -15.7307 -15.7307 -15.7301 -15.7301 -3.1231 -3.1231 -2.2810 -2.2810 -2.2654 -2.2654 1.6880 1.6880 1.7782 1.7782 1.7876 1.7876 3.0731 3.0731 3.0940 3.0940 3.1675 3.1675 3.2120 3.2120 3.2894 3.2894 3.3307 3.3307 5.0010 5.0010 5.0220 5.0220 5.3469 5.3469 5.9571 5.9571 5.9618 5.9618 10.2426 10.2426 13.7429 13.7429 13.7450 13.7450 16.2838 16.2838 k = 0.0781 0.0781 0.0781 ( 4046 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4027 -41.4027 -18.4456 -18.4456 -15.9749 -15.9749 -15.7307 -15.7307 -15.7299 -15.7299 -3.1226 -3.1226 -2.2818 -2.2818 -2.2627 -2.2627 1.6710 1.6710 1.7592 1.7592 1.7704 1.7704 3.0489 3.0489 3.0697 3.0697 3.1330 3.1330 3.2162 3.2162 3.2790 3.2790 3.3218 3.3218 5.0222 5.0222 5.0468 5.0468 5.3666 5.3666 5.9944 5.9944 5.9998 5.9998 10.2983 10.2983 13.7739 13.7739 13.7764 13.7764 16.2377 16.2377 k = 0.0859 0.0859 0.0859 ( 4049 PWs) bands (ev): -77.0418 -77.0418 -45.8678 -45.8678 -41.4027 -41.4027 -41.4027 -41.4027 -18.4442 -18.4442 -15.9726 -15.9726 -15.7306 -15.7306 -15.7297 -15.7297 -3.1221 -3.1221 -2.2827 -2.2827 -2.2598 -2.2598 1.6523 1.6523 1.7386 1.7386 1.7515 1.7515 3.0229 3.0229 3.0426 3.0426 3.0956 3.0956 3.2208 3.2208 3.2698 3.2698 3.3131 3.3131 5.0449 5.0449 5.0731 5.0731 5.3879 5.3879 6.0347 6.0347 6.0408 6.0408 10.3589 10.3589 13.8076 13.8076 13.8107 13.8107 16.1918 16.1918 k = 0.0938 0.0937 0.0937 ( 4061 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4028 -41.4028 -41.4028 -41.4028 -18.4426 -18.4426 -15.9702 -15.9702 -15.7305 -15.7305 -15.7294 -15.7294 -3.1216 -3.1216 -2.2838 -2.2838 -2.2568 -2.2568 1.6320 1.6320 1.7164 1.7164 1.7310 1.7310 2.9952 2.9952 3.0125 3.0125 3.0568 3.0568 3.2257 3.2257 3.2618 3.2618 3.3050 3.3050 5.0689 5.0689 5.1005 5.1005 5.4103 5.4103 6.0780 6.0780 6.0846 6.0846 10.4242 10.4242 13.8442 13.8442 13.8478 13.8478 16.1467 16.1467 k = 0.1016 0.1016 0.1016 ( 4064 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4028 -41.4028 -41.4028 -41.4028 -18.4410 -18.4410 -15.9675 -15.9675 -15.7304 -15.7304 -15.7291 -15.7291 -3.1213 -3.1213 -2.2851 -2.2851 -2.2538 -2.2538 1.6102 1.6102 1.6927 1.6927 1.7091 1.7091 2.9663 2.9663 2.9784 2.9784 3.0182 3.0182 3.2305 3.2305 3.2554 3.2554 3.2974 3.2974 5.0940 5.0940 5.1289 5.1289 5.4339 5.4339 6.1241 6.1241 6.1312 6.1312 10.4938 10.4938 13.8834 13.8834 13.8875 13.8875 16.1029 16.1029 k = 0.1094 0.1094 0.1094 ( 4070 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4029 -41.4029 -41.4029 -41.4029 -18.4393 -18.4393 -15.9646 -15.9646 -15.7303 -15.7303 -15.7289 -15.7289 -3.1211 -3.1211 -2.2866 -2.2866 -2.2507 -2.2507 1.5869 1.5869 1.6677 1.6677 1.6857 1.6857 2.9362 2.9362 2.9394 2.9394 2.9812 2.9812 3.2340 3.2340 3.2516 3.2516 3.2904 3.2904 5.1203 5.1203 5.1582 5.1582 5.4586 5.4586 6.1727 6.1727 6.1801 6.1801 10.5676 10.5676 13.9250 13.9250 13.9298 13.9298 16.0609 16.0609 k = 0.1172 0.1172 0.1172 ( 4073 PWs) bands (ev): -77.0418 -77.0418 -45.8679 -45.8679 -41.4029 -41.4029 -41.4029 -41.4029 -18.4375 -18.4375 -15.9614 -15.9614 -15.7302 -15.7302 -15.7285 -15.7285 -3.1210 -3.1210 -2.2882 -2.2882 -2.2477 -2.2477 1.5621 1.5621 1.6415 1.6415 1.6609 1.6609 2.8960 2.8960 2.9053 2.9053 2.9462 2.9462 3.2341 3.2341 3.2525 3.2525 3.2842 3.2842 5.1475 5.1475 5.1882 5.1882 5.4842 5.4842 6.2236 6.2236 6.2314 6.2314 10.6453 10.6453 13.9690 13.9690 13.9745 13.9745 16.0211 16.0211 k = 0.1250 0.1250 0.1250 ( 4085 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4030 -41.4030 -41.4030 -41.4030 -18.4356 -18.4356 -15.9581 -15.9581 -15.7301 -15.7301 -15.7282 -15.7282 -3.1210 -3.1210 -2.2902 -2.2902 -2.2448 -2.2448 1.5360 1.5360 1.6140 1.6140 1.6349 1.6349 2.8495 2.8495 2.8738 2.8738 2.9123 2.9123 3.2314 3.2314 3.2574 3.2574 3.2788 3.2788 5.1755 5.1755 5.2187 5.2187 5.5106 5.5106 6.2767 6.2767 6.2846 6.2846 10.7265 10.7265 14.0151 14.0151 14.0214 14.0214 15.9838 15.9838 k = 0.1328 0.1328 0.1328 ( 4085 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4030 -41.4030 -41.4030 -41.4030 -18.4337 -18.4337 -15.9545 -15.9545 -15.7300 -15.7300 -15.7279 -15.7279 -3.1213 -3.1213 -2.2924 -2.2924 -2.2420 -2.2420 1.5087 1.5087 1.5856 1.5856 1.6077 1.6077 2.8011 2.8011 2.8419 2.8419 2.8789 2.8789 3.2283 3.2283 3.2640 3.2640 3.2742 3.2742 5.2042 5.2042 5.2496 5.2496 5.5377 5.5377 6.3318 6.3318 6.3397 6.3397 10.8109 10.8109 14.0632 14.0632 14.0703 14.0703 15.9492 15.9492 k = 0.1406 0.1406 0.1406 ( 4067 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4031 -41.4031 -41.4031 -41.4031 -18.4316 -18.4316 -15.9506 -15.9506 -15.7298 -15.7298 -15.7275 -15.7275 -3.1217 -3.1217 -2.2948 -2.2948 -2.2394 -2.2394 1.4802 1.4802 1.5564 1.5564 1.5795 1.5795 2.7517 2.7517 2.8098 2.8098 2.8457 2.8457 3.2257 3.2257 3.2705 3.2705 3.2716 3.2716 5.2336 5.2336 5.2809 5.2809 5.5656 5.5656 6.3887 6.3887 6.3966 6.3966 10.8984 10.8984 14.1131 14.1131 14.1210 14.1210 15.9176 15.9176 k = 0.1484 0.1484 0.1484 ( 4073 PWs) bands (ev): -77.0418 -77.0418 -45.8680 -45.8680 -41.4031 -41.4031 -41.4031 -41.4031 -18.4296 -18.4296 -15.9466 -15.9466 -15.7297 -15.7297 -15.7271 -15.7271 -3.1225 -3.1225 -2.2975 -2.2975 -2.2371 -2.2371 1.4505 1.4505 1.5262 1.5262 1.5501 1.5501 2.7018 2.7018 2.7775 2.7775 2.8125 2.8125 3.2239 3.2239 3.2678 3.2678 3.2797 3.2797 5.2634 5.2634 5.3123 5.3123 5.5938 5.5938 6.4471 6.4471 6.4549 6.4549 10.9887 10.9887 14.1646 14.1646 14.1733 14.1733 15.8891 15.8891 k = 0.1562 0.1562 0.1562 ( 4073 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4032 -41.4032 -41.4032 -41.4032 -18.4275 -18.4275 -15.9423 -15.9423 -15.7295 -15.7295 -15.7267 -15.7267 -3.1235 -3.1235 -2.3006 -2.3006 -2.2351 -2.2351 1.4199 1.4199 1.4954 1.4954 1.5200 1.5200 2.6517 2.6517 2.7454 2.7454 2.7795 2.7795 3.2228 3.2228 3.2659 3.2659 3.2882 3.2882 5.2937 5.2937 5.3438 5.3438 5.6225 5.6225 6.5070 6.5070 6.5146 6.5146 11.0813 11.0813 14.2173 14.2173 14.2270 14.2270 15.8638 15.8638 k = 0.1641 0.1641 0.1641 ( 4073 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4033 -41.4033 -41.4033 -41.4033 -18.4254 -18.4254 -15.9377 -15.9377 -15.7294 -15.7294 -15.7262 -15.7262 -3.1247 -3.1247 -2.3039 -2.3039 -2.2335 -2.2335 1.3883 1.3883 1.4640 1.4640 1.4891 1.4891 2.6018 2.6018 2.7136 2.7136 2.7467 2.7467 3.2227 3.2227 3.2650 3.2650 3.2971 3.2971 5.3243 5.3243 5.3754 5.3754 5.6515 5.6515 6.5682 6.5682 6.5754 6.5754 11.1761 11.1761 14.2710 14.2710 14.2817 14.2817 15.8419 15.8419 k = 0.1719 0.1719 0.1719 ( 4073 PWs) bands (ev): -77.0418 -77.0418 -45.8681 -45.8681 -41.4033 -41.4033 -41.4033 -41.4033 -18.4232 -18.4232 -15.9330 -15.9330 -15.7292 -15.7292 -15.7258 -15.7258 -3.1263 -3.1263 -2.3076 -2.3076 -2.2323 -2.2323 1.3559 1.3559 1.4322 1.4322 1.4575 1.4575 2.5525 2.5525 2.6820 2.6820 2.7142 2.7142 3.2235 3.2235 3.2650 3.2650 3.3063 3.3063 5.3551 5.3551 5.4069 5.4069 5.6807 5.6807 6.6304 6.6304 6.6373 6.6373 11.2728 11.2728 14.3254 14.3254 14.3372 14.3372 15.8233 15.8233 k = 0.1797 0.1797 0.1797 ( 4073 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4034 -41.4034 -41.4034 -41.4034 -18.4210 -18.4210 -15.9280 -15.9280 -15.7290 -15.7290 -15.7253 -15.7253 -3.1283 -3.1283 -2.3116 -2.3116 -2.2317 -2.2317 1.3228 1.3228 1.3999 1.3999 1.4254 1.4254 2.5040 2.5040 2.6510 2.6510 2.6820 2.6820 3.2253 3.2253 3.2660 3.2660 3.3159 3.3159 5.3861 5.3861 5.4383 5.4383 5.7101 5.7101 6.6936 6.6936 6.7001 6.7001 11.3710 11.3710 14.3800 14.3800 14.3930 14.3930 15.8082 15.8082 k = 0.1875 0.1875 0.1875 ( 4079 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4035 -41.4035 -41.4035 -41.4035 -18.4189 -18.4189 -15.9229 -15.9229 -15.7288 -15.7288 -15.7249 -15.7249 -3.1305 -3.1305 -2.3160 -2.3160 -2.2317 -2.2317 1.2891 1.2891 1.3673 1.3673 1.3927 1.3927 2.4565 2.4565 2.6204 2.6204 2.6503 2.6503 3.2280 3.2280 3.2680 3.2680 3.3257 3.3257 5.4173 5.4173 5.4696 5.4696 5.7396 5.7396 6.7576 6.7576 6.7635 6.7635 11.4705 11.4705 14.4345 14.4345 14.4487 14.4487 15.7966 15.7966 k = 0.1953 0.1953 0.1953 ( 4085 PWs) bands (ev): -77.0418 -77.0418 -45.8682 -45.8682 -41.4035 -41.4035 -41.4035 -41.4035 -18.4167 -18.4167 -15.9175 -15.9175 -15.7286 -15.7286 -15.7244 -15.7244 -3.1332 -3.1332 -2.3207 -2.3207 -2.2323 -2.2323 1.2548 1.2548 1.3346 1.3346 1.3598 1.3598 2.4104 2.4104 2.5905 2.5905 2.6191 2.6191 3.2317 3.2317 3.2708 3.2708 3.3357 3.3357 5.4484 5.4484 5.5007 5.5007 5.7692 5.7692 6.8221 6.8221 6.8276 6.8276 11.5710 11.5710 14.4880 14.4880 14.5036 14.5036 15.7884 15.7884 k = 0.2031 0.2031 0.2031 ( 4091 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4036 -41.4036 -41.4036 -41.4036 -18.4145 -18.4145 -15.9119 -15.9119 -15.7284 -15.7284 -15.7239 -15.7239 -3.1362 -3.1362 -2.3258 -2.3258 -2.2337 -2.2337 1.2200 1.2200 1.3017 1.3017 1.3265 1.3265 2.3658 2.3658 2.5613 2.5613 2.5885 2.5885 3.2363 3.2363 3.2747 3.2747 3.3460 3.3460 5.4795 5.4795 5.5315 5.5315 5.7987 5.7987 6.8873 6.8873 6.8922 6.8922 11.6721 11.6721 14.5401 14.5401 14.5572 14.5572 15.7837 15.7837 k = 0.2109 0.2109 0.2109 ( 4091 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4037 -41.4037 -41.4037 -41.4037 -18.4124 -18.4124 -15.9061 -15.9061 -15.7282 -15.7282 -15.7234 -15.7234 -3.1396 -3.1396 -2.3312 -2.3312 -2.2357 -2.2357 1.1849 1.1849 1.2688 1.2688 1.2932 1.2932 2.3229 2.3229 2.5329 2.5329 2.5585 2.5585 3.2418 3.2418 3.2795 3.2795 3.3564 3.3564 5.5107 5.5107 5.5620 5.5620 5.8281 5.8281 6.9528 6.9528 6.9572 6.9572 11.7737 11.7737 14.5899 14.5899 14.6086 14.6086 15.7824 15.7824 k = 0.2188 0.2187 0.2187 ( 4079 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4037 -41.4037 -41.4037 -41.4037 -18.4103 -18.4103 -15.9002 -15.9002 -15.7279 -15.7279 -15.7228 -15.7228 -3.1434 -3.1434 -2.3370 -2.3370 -2.2385 -2.2385 1.1495 1.1495 1.2361 1.2361 1.2598 1.2598 2.2820 2.2820 2.5053 2.5053 2.5294 2.5294 3.2483 3.2483 3.2852 3.2852 3.3670 3.3670 5.5417 5.5417 5.5922 5.5922 5.8575 5.8575 7.0186 7.0186 7.0224 7.0224 11.8752 11.8752 14.6362 14.6362 14.6568 14.6568 15.7846 15.7846 k = 0.2266 0.2266 0.2266 ( 4079 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4038 -41.4038 -41.4038 -41.4038 -18.4082 -18.4082 -15.8940 -15.8940 -15.7277 -15.7277 -15.7223 -15.7223 -3.1476 -3.1476 -2.3431 -2.3431 -2.2422 -2.2422 1.1139 1.1139 1.2034 1.2034 1.2265 1.2265 2.2433 2.2433 2.4785 2.4785 2.5009 2.5009 3.2556 3.2556 3.2917 3.2917 3.3778 3.3778 5.5725 5.5725 5.6220 5.6220 5.8866 5.8866 7.0845 7.0845 7.0878 7.0878 11.9765 11.9765 14.6778 14.6778 14.7007 14.7007 15.7900 15.7900 k = 0.2344 0.2344 0.2344 ( 4079 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4039 -41.4039 -41.4039 -41.4039 -18.4061 -18.4061 -15.8877 -15.8877 -15.7274 -15.7274 -15.7217 -15.7217 -3.1522 -3.1522 -2.3496 -2.3496 -2.2467 -2.2467 1.0781 1.0781 1.1709 1.1709 1.1932 1.1932 2.2068 2.2068 2.4527 2.4527 2.4733 2.4733 3.2638 3.2638 3.2991 3.2991 3.3886 3.3886 5.6030 5.6030 5.6514 5.6514 5.9155 5.9155 7.1504 7.1504 7.1531 7.1531 12.0773 12.0773 14.7134 14.7134 14.7387 14.7387 15.7987 15.7987 k = 0.2422 0.2422 0.2422 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4040 -41.4040 -41.4040 -41.4040 -18.4041 -18.4041 -15.8813 -15.8813 -15.7272 -15.7272 -15.7212 -15.7212 -3.1571 -3.1571 -2.3564 -2.3564 -2.2521 -2.2521 1.0422 1.0422 1.1387 1.1387 1.1601 1.1601 2.1726 2.1726 2.4277 2.4277 2.4464 2.4464 3.2728 3.2728 3.3073 3.3073 3.3996 3.3996 5.6332 5.6332 5.6802 5.6802 5.9440 5.9440 7.2162 7.2162 7.2184 7.2184 12.1771 12.1771 14.7414 14.7414 14.7693 14.7693 15.8106 15.8106 k = 0.2500 0.2500 0.2500 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4040 -41.4040 -41.4040 -41.4040 -18.4021 -18.4021 -15.8747 -15.8747 -15.7269 -15.7269 -15.7206 -15.7206 -3.1625 -3.1625 -2.3635 -2.3635 -2.2583 -2.2583 1.0062 1.0062 1.1068 1.1068 1.1274 1.1274 2.1410 2.1410 2.4036 2.4036 2.4205 2.4205 3.2825 3.2825 3.3163 3.3163 3.4105 3.4105 5.6630 5.6630 5.7086 5.7086 5.9721 5.9721 7.2818 7.2818 7.2834 7.2834 12.2757 12.2757 14.7603 14.7603 14.7912 14.7912 15.8255 15.8255 k = 0.2578 0.2578 0.2578 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4041 -41.4041 -41.4041 -41.4041 -18.4002 -18.4002 -15.8681 -15.8681 -15.7266 -15.7266 -15.7201 -15.7201 -3.1682 -3.1682 -2.3709 -2.3709 -2.2654 -2.2654 0.9704 0.9704 1.0754 1.0754 1.0950 1.0950 2.1121 2.1121 2.3805 2.3805 2.3955 2.3955 3.2930 3.2930 3.3261 3.3261 3.4215 3.4215 5.6926 5.6926 5.7365 5.7365 5.9999 5.9999 7.3470 7.3470 7.3481 7.3481 12.3727 12.3727 14.7688 14.7688 14.8029 14.8029 15.8434 15.8434 k = 0.2656 0.2656 0.2656 ( 4091 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4042 -41.4042 -41.4042 -41.4042 -18.3983 -18.3983 -15.8613 -15.8613 -15.7264 -15.7264 -15.7195 -15.7195 -3.1743 -3.1743 -2.3786 -2.3786 -2.2734 -2.2734 0.9345 0.9345 1.0445 1.0445 1.0631 1.0631 2.0858 2.0858 2.3584 2.3584 2.3714 2.3714 3.3041 3.3041 3.3365 3.3365 3.4326 3.4326 5.7215 5.7215 5.7638 5.7638 6.0272 6.0272 7.4118 7.4118 7.4124 7.4124 12.4678 12.4678 14.7664 14.7664 14.8038 14.8038 15.8645 15.8645 k = 0.2734 0.2734 0.2734 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4042 -41.4042 -41.4042 -41.4042 -18.3965 -18.3965 -15.8544 -15.8544 -15.7261 -15.7261 -15.7189 -15.7189 -3.1807 -3.1807 -2.3865 -2.3865 -2.2822 -2.2822 0.8989 0.8989 1.0140 1.0140 1.0317 1.0317 2.0623 2.0623 2.3373 2.3373 2.3482 2.3482 3.3159 3.3159 3.3476 3.3476 3.4436 3.4436 5.7500 5.7500 5.7905 5.7905 6.0541 6.0541 7.4760 7.4760 7.4762 7.4762 12.5607 12.5607 14.7530 14.7530 14.7937 14.7937 15.8891 15.8891 k = 0.2812 0.2812 0.2812 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4043 -41.4043 -41.4043 -41.4043 -18.3948 -18.3948 -15.8475 -15.8475 -15.7258 -15.7258 -15.7183 -15.7183 -3.1874 -3.1874 -2.3946 -2.3946 -2.2917 -2.2917 0.8635 0.8635 0.9842 0.9842 1.0009 1.0009 2.0415 2.0415 2.3170 2.3170 2.3259 2.3259 3.3283 3.3283 3.3593 3.3593 3.4545 3.4545 5.7780 5.7780 5.8166 5.8166 6.0804 6.0804 7.5393 7.5393 7.5396 7.5396 12.6511 12.6511 14.7293 14.7293 14.7732 14.7732 15.9171 15.9171 k = 0.2891 0.2891 0.2891 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4044 -41.4044 -41.4044 -41.4044 -18.3931 -18.3931 -15.8405 -15.8405 -15.7255 -15.7255 -15.7178 -15.7178 -3.1944 -3.1944 -2.4029 -2.4029 -2.3021 -2.3021 0.8284 0.8284 0.9550 0.9550 0.9706 0.9706 2.0234 2.0234 2.2977 2.2977 2.3046 2.3046 3.3411 3.3411 3.3715 3.3715 3.4653 3.4653 5.8053 5.8053 5.8420 5.8420 6.1061 6.1061 7.6017 7.6017 7.6023 7.6023 12.7385 12.7385 14.6966 14.6966 14.7433 14.7433 15.9484 15.9484 k = 0.2969 0.2969 0.2969 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4045 -41.4045 -41.4045 -41.4045 -18.3915 -18.3915 -15.8335 -15.8335 -15.7252 -15.7252 -15.7172 -15.7172 -3.2017 -3.2017 -2.4114 -2.4114 -2.3131 -2.3131 0.7937 0.7937 0.9265 0.9265 0.9411 0.9411 2.0079 2.0079 2.2794 2.2794 2.2843 2.2843 3.3544 3.3544 3.3842 3.3842 3.4761 3.4761 5.8321 5.8321 5.8667 5.8667 6.1312 6.1312 7.6633 7.6633 7.6642 7.6642 12.8226 12.8226 14.6561 14.6561 14.7055 14.7055 15.9824 15.9824 k = 0.3047 0.3047 0.3047 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4045 -41.4045 -41.4045 -41.4045 -18.3900 -18.3900 -15.8265 -15.8265 -15.7248 -15.7248 -15.7166 -15.7166 -3.2092 -3.2092 -2.4200 -2.4200 -2.3248 -2.3248 0.7594 0.7594 0.8988 0.8988 0.9124 0.9124 1.9952 1.9952 2.2621 2.2621 2.2649 2.2649 3.3682 3.3682 3.3974 3.3974 3.4868 3.4868 5.8582 5.8582 5.8908 5.8908 6.1558 6.1558 7.7240 7.7240 7.7252 7.7252 12.9033 12.9033 14.6095 14.6095 14.6612 14.6612 16.0190 16.0190 k = 0.3125 0.3125 0.3125 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4046 -41.4046 -41.4046 -41.4046 -18.3885 -18.3885 -15.8195 -15.8195 -15.7245 -15.7245 -15.7161 -15.7161 -3.2169 -3.2169 -2.4287 -2.4287 -2.3370 -2.3370 0.7257 0.7257 0.8718 0.8718 0.8844 0.8844 1.9849 1.9849 2.2456 2.2456 2.2465 2.2465 3.3822 3.3822 3.4109 3.4109 3.4973 3.4973 5.8835 5.8835 5.9141 5.9141 6.1796 6.1796 7.7835 7.7835 7.7850 7.7850 12.9801 12.9801 14.5580 14.5580 14.6119 14.6119 16.0578 16.0578 k = 0.3203 0.3203 0.3203 ( 4089 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4047 -41.4047 -41.4047 -41.4047 -18.3871 -18.3871 -15.8126 -15.8126 -15.7242 -15.7242 -15.7155 -15.7155 -3.2248 -3.2248 -2.4374 -2.4374 -2.3497 -2.3497 0.6926 0.6926 0.8456 0.8456 0.8572 0.8572 1.9771 1.9771 2.2289 2.2289 2.2301 2.2301 3.3964 3.3964 3.4246 3.4246 3.5075 3.5075 5.9081 5.9081 5.9366 5.9366 6.2026 6.2026 7.8419 7.8419 7.8436 7.8436 13.0527 13.0527 14.5030 14.5030 14.5587 14.5587 16.0988 16.0988 k = 0.3281 0.3281 0.3281 ( 4089 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4047 -41.4047 -41.4047 -41.4047 -18.3858 -18.3858 -15.8057 -15.8057 -15.7239 -15.7239 -15.7150 -15.7150 -3.2328 -3.2328 -2.4462 -2.4462 -2.3627 -2.3627 0.6602 0.6602 0.8202 0.8202 0.8309 0.8309 1.9715 1.9715 2.2123 2.2123 2.2154 2.2154 3.4108 3.4108 3.4386 3.4386 3.5177 3.5177 5.9318 5.9318 5.9584 5.9584 6.2249 6.2249 7.8990 7.8990 7.9009 7.9009 13.1210 13.1210 14.4454 14.4454 14.5027 14.5027 16.1419 16.1419 k = 0.3359 0.3359 0.3359 ( 4095 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4048 -41.4048 -41.4048 -41.4048 -18.3845 -18.3845 -15.7990 -15.7990 -15.7235 -15.7235 -15.7144 -15.7144 -3.2409 -3.2409 -2.4549 -2.4549 -2.3761 -2.3761 0.6286 0.6286 0.7958 0.7958 0.8055 0.8055 1.9679 1.9679 2.1966 2.1966 2.2016 2.2016 3.4253 3.4253 3.4527 3.4527 3.5275 3.5275 5.9547 5.9547 5.9794 5.9794 6.2465 6.2465 7.9548 7.9548 7.9567 7.9567 13.1847 13.1847 14.3861 14.3861 14.4450 14.4450 16.1867 16.1867 k = 0.3438 0.3437 0.3437 ( 4083 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4049 -41.4049 -41.4049 -41.4049 -18.3833 -18.3833 -15.7924 -15.7924 -15.7231 -15.7231 -15.7139 -15.7139 -3.2490 -3.2490 -2.4635 -2.4635 -2.3897 -2.3897 0.5979 0.5979 0.7723 0.7723 0.7812 0.7812 1.9664 1.9664 2.1819 2.1819 2.1887 2.1887 3.4399 3.4399 3.4669 3.4669 3.5372 3.5372 5.9769 5.9769 5.9996 5.9996 6.2673 6.2673 8.0090 8.0090 8.0111 8.0111 13.2436 13.2436 14.3260 14.3260 14.3861 14.3861 16.2330 16.2330 k = 0.3516 0.3516 0.3516 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4049 -41.4049 -41.4049 -41.4049 -18.3822 -18.3822 -15.7859 -15.7859 -15.7228 -15.7228 -15.7134 -15.7134 -3.2572 -3.2572 -2.4721 -2.4721 -2.4033 -2.4033 0.5681 0.5681 0.7498 0.7498 0.7578 0.7578 1.9666 1.9666 2.1680 2.1680 2.1765 2.1765 3.4544 3.4544 3.4811 3.4811 3.5466 3.5466 5.9982 5.9982 6.0189 6.0189 6.2872 6.2872 8.0617 8.0617 8.0638 8.0638 13.2975 13.2975 14.2657 14.2657 14.3269 14.3269 16.2804 16.2804 k = 0.3594 0.3594 0.3594 ( 4083 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4050 -41.4050 -41.4050 -41.4050 -18.3811 -18.3811 -15.7796 -15.7796 -15.7224 -15.7224 -15.7129 -15.7129 -3.2653 -3.2653 -2.4805 -2.4805 -2.4170 -2.4170 0.5394 0.5394 0.7283 0.7283 0.7354 0.7354 1.9683 1.9683 2.1550 2.1550 2.1652 2.1652 3.4687 3.4687 3.4952 3.4952 3.5557 3.5557 6.0185 6.0185 6.0374 6.0374 6.3063 6.3063 8.1126 8.1126 8.1147 8.1147 13.3464 13.3464 14.2057 14.2057 14.2679 14.2679 16.3283 16.3283 k = 0.3672 0.3672 0.3672 ( 4083 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4050 -41.4050 -41.4050 -41.4050 -18.3802 -18.3802 -15.7736 -15.7736 -15.7220 -15.7220 -15.7124 -15.7124 -3.2733 -3.2733 -2.4887 -2.4887 -2.4306 -2.4306 0.5117 0.5117 0.7077 0.7077 0.7141 0.7141 1.9715 1.9715 2.1429 2.1429 2.1547 2.1547 3.4828 3.4828 3.5091 3.5091 3.5644 3.5644 6.0379 6.0379 6.0550 6.0550 6.3245 6.3245 8.1616 8.1616 8.1637 8.1637 13.3901 13.3901 14.1466 14.1466 14.2096 14.2096 16.3757 16.3757 k = 0.3750 0.3750 0.3750 ( 4062 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4051 -41.4051 -41.4051 -41.4051 -18.3792 -18.3792 -15.7677 -15.7677 -15.7215 -15.7215 -15.7119 -15.7119 -3.2812 -3.2812 -2.4967 -2.4967 -2.4439 -2.4439 0.4853 0.4853 0.6882 0.6882 0.6939 0.6939 1.9758 1.9758 2.1317 2.1317 2.1449 2.1449 3.4966 3.4966 3.5228 3.5228 3.5729 3.5729 6.0564 6.0564 6.0717 6.0717 6.3419 6.3419 8.2088 8.2088 8.2108 8.2108 13.4289 13.4289 14.0889 14.0889 14.1524 14.1524 16.4209 16.4209 k = 0.3828 0.3828 0.3828 ( 4074 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4051 -41.4051 -41.4051 -41.4051 -18.3784 -18.3784 -15.7622 -15.7622 -15.7211 -15.7211 -15.7115 -15.7115 -3.2889 -3.2889 -2.5044 -2.5044 -2.4570 -2.4570 0.4601 0.4601 0.6697 0.6697 0.6747 0.6747 1.9810 1.9810 2.1212 2.1212 2.1358 2.1358 3.5100 3.5100 3.5361 3.5361 3.5810 3.5810 6.0738 6.0738 6.0875 6.0875 6.3582 6.3582 8.2538 8.2538 8.2557 8.2557 13.4625 13.4625 14.0329 14.0329 14.0968 14.0968 16.4609 16.4609 k = 0.3906 0.3906 0.3906 ( 4074 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4052 -41.4052 -41.4052 -41.4052 -18.3776 -18.3776 -15.7569 -15.7569 -15.7205 -15.7205 -15.7110 -15.7110 -3.2963 -3.2963 -2.5119 -2.5119 -2.4697 -2.4697 0.4362 0.4362 0.6524 0.6524 0.6567 0.6567 1.9870 1.9870 2.1116 2.1116 2.1274 2.1274 3.5229 3.5229 3.5490 3.5490 3.5887 3.5887 6.0903 6.0903 6.1023 6.1023 6.3736 6.3736 8.2966 8.2966 8.2985 8.2985 13.4913 13.4913 13.9791 13.9791 14.0432 14.0432 16.4901 16.4901 k = 0.3984 0.3984 0.3984 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4052 -41.4052 -41.4052 -41.4052 -18.3769 -18.3769 -15.7520 -15.7520 -15.7200 -15.7200 -15.7106 -15.7106 -3.3035 -3.3035 -2.5189 -2.5189 -2.4819 -2.4819 0.4137 0.4137 0.6360 0.6360 0.6398 0.6398 1.9934 1.9934 2.1028 2.1028 2.1197 2.1197 3.5353 3.5353 3.5614 3.5614 3.5960 3.5960 6.1057 6.1057 6.1161 6.1161 6.3881 6.3881 8.3372 8.3372 8.3389 8.3389 13.5153 13.5153 13.9278 13.9278 13.9918 13.9918 16.5008 16.5008 k = 0.4062 0.4062 0.4062 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4053 -41.4053 -41.4053 -41.4053 -18.3763 -18.3763 -15.7475 -15.7475 -15.7193 -15.7193 -15.7103 -15.7103 -3.3104 -3.3104 -2.5257 -2.5257 -2.4936 -2.4936 0.3926 0.3926 0.6210 0.6210 0.6241 0.6241 2.0002 2.0002 2.0950 2.0950 2.1127 2.1127 3.5470 3.5470 3.5733 3.5733 3.6029 3.6029 6.1200 6.1200 6.1289 6.1289 6.4015 6.4015 8.3753 8.3753 8.3768 8.3768 13.5348 13.5348 13.8795 13.8795 13.9430 13.9430 16.4897 16.4897 k = 0.4141 0.4141 0.4141 ( 4089 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4053 -41.4053 -41.4053 -41.4053 -18.3757 -18.3757 -15.7434 -15.7434 -15.7186 -15.7186 -15.7099 -15.7099 -3.3169 -3.3169 -2.5320 -2.5320 -2.5046 -2.5046 0.3730 0.3730 0.6070 0.6070 0.6097 0.6097 2.0070 2.0070 2.0880 2.0880 2.1063 2.1063 3.5580 3.5580 3.5845 3.5845 3.6095 3.6095 6.1332 6.1332 6.1408 6.1408 6.4139 6.4139 8.4108 8.4108 8.4122 8.4122 13.5500 13.5500 13.8345 13.8345 13.8970 13.8970 16.4632 16.4632 k = 0.4219 0.4219 0.4219 ( 4089 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4053 -41.4053 -41.4053 -41.4053 -18.3751 -18.3751 -15.7398 -15.7398 -15.7177 -15.7177 -15.7096 -15.7096 -3.3230 -3.3230 -2.5378 -2.5378 -2.5149 -2.5149 0.3550 0.3550 0.5942 0.5942 0.5964 0.5964 2.0137 2.0137 2.0819 2.0819 2.1005 2.1005 3.5682 3.5682 3.5950 3.5950 3.6156 3.6156 6.1454 6.1454 6.1517 6.1517 6.4254 6.4254 8.4438 8.4438 8.4450 8.4450 13.5610 13.5610 13.7933 13.7933 13.8542 13.8542 16.4301 16.4301 k = 0.4297 0.4297 0.4297 ( 4089 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4054 -41.4054 -41.4054 -41.4054 -18.3746 -18.3746 -15.7367 -15.7367 -15.7166 -15.7166 -15.7093 -15.7093 -3.3287 -3.3287 -2.5432 -2.5432 -2.5244 -2.5244 0.3385 0.3385 0.5825 0.5825 0.5843 0.5843 2.0198 2.0198 2.0769 2.0769 2.0954 2.0954 3.5775 3.5775 3.6048 3.6048 3.6213 3.6213 6.1565 6.1565 6.1617 6.1617 6.4358 6.4358 8.4740 8.4740 8.4750 8.4750 13.5681 13.5681 13.7563 13.7563 13.8146 13.8146 16.3960 16.3960 k = 0.4375 0.4375 0.4375 ( 4095 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4054 -41.4054 -41.4054 -41.4054 -18.3742 -18.3742 -15.7342 -15.7342 -15.7155 -15.7155 -15.7090 -15.7090 -3.3339 -3.3339 -2.5481 -2.5481 -2.5331 -2.5331 0.3237 0.3237 0.5720 0.5720 0.5734 0.5734 2.0252 2.0252 2.0730 2.0730 2.0908 2.0908 3.5859 3.5859 3.6136 3.6136 3.6266 3.6266 6.1665 6.1665 6.1705 6.1705 6.4451 6.4451 8.5013 8.5013 8.5021 8.5021 13.5714 13.5714 13.7242 13.7242 13.7787 13.7787 16.3637 16.3637 k = 0.4453 0.4453 0.4453 ( 4095 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4054 -41.4054 -41.4054 -41.4054 -18.3738 -18.3738 -15.7321 -15.7321 -15.7142 -15.7142 -15.7088 -15.7088 -3.3385 -3.3385 -2.5525 -2.5525 -2.5409 -2.5409 0.3105 0.3105 0.5628 0.5628 0.5639 0.5639 2.0295 2.0295 2.0705 2.0705 2.0868 2.0868 3.5933 3.5933 3.6216 3.6216 3.6314 3.6314 6.1753 6.1753 6.1784 6.1784 6.4534 6.4534 8.5257 8.5257 8.5263 8.5263 13.5707 13.5707 13.6976 13.6976 13.7465 13.7465 16.3345 16.3345 k = 0.4531 0.4531 0.4531 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3735 -18.3735 -15.7305 -15.7305 -15.7129 -15.7129 -15.7086 -15.7086 -3.3426 -3.3426 -2.5564 -2.5564 -2.5478 -2.5478 0.2990 0.2990 0.5547 0.5547 0.5555 0.5555 2.0324 2.0324 2.0693 2.0693 2.0834 2.0834 3.5997 3.5997 3.6286 3.6286 3.6358 3.6358 6.1829 6.1829 6.1852 6.1852 6.4605 6.4605 8.5470 8.5470 8.5474 8.5474 13.5664 13.5664 13.6768 13.6768 13.7182 13.7182 16.3090 16.3090 k = 0.4609 0.4609 0.4609 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3732 -18.3732 -15.7293 -15.7293 -15.7115 -15.7115 -15.7084 -15.7084 -3.3462 -3.3462 -2.5597 -2.5597 -2.5537 -2.5537 0.2893 0.2893 0.5479 0.5479 0.5485 0.5485 2.0341 2.0341 2.0694 2.0694 2.0805 2.0805 3.6051 3.6051 3.6347 3.6347 3.6396 3.6396 6.1894 6.1894 6.1910 6.1910 6.4666 6.4666 8.5652 8.5652 8.5655 8.5655 13.5591 13.5591 13.6619 13.6619 13.6940 13.6940 16.2875 16.2875 k = 0.4688 0.4687 0.4687 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3730 -18.3730 -15.7285 -15.7285 -15.7104 -15.7104 -15.7083 -15.7083 -3.3491 -3.3491 -2.5624 -2.5624 -2.5585 -2.5585 0.2813 0.2813 0.5424 0.5424 0.5428 0.5428 2.0348 2.0348 2.0703 2.0703 2.0781 2.0781 3.6095 3.6095 3.6397 3.6397 3.6428 3.6428 6.1948 6.1948 6.1959 6.1959 6.4717 6.4717 8.5802 8.5802 8.5804 8.5804 13.5503 13.5503 13.6517 13.6517 13.6741 13.6741 16.2699 16.2699 k = 0.4766 0.4766 0.4766 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3728 -18.3728 -15.7279 -15.7279 -15.7094 -15.7094 -15.7081 -15.7081 -3.3514 -3.3514 -2.5645 -2.5645 -2.5623 -2.5623 0.2751 0.2751 0.5381 0.5381 0.5383 0.5383 2.0349 2.0349 2.0717 2.0717 2.0764 2.0764 3.6129 3.6129 3.6436 3.6436 3.6453 3.6453 6.1989 6.1989 6.1996 6.1996 6.4756 6.4756 8.5919 8.5919 8.5920 8.5920 13.5417 13.5417 13.6451 13.6451 13.6584 13.6584 16.2564 16.2564 k = 0.4844 0.4844 0.4844 ( 4062 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3727 -18.3727 -15.7274 -15.7274 -15.7086 -15.7086 -15.7080 -15.7080 -3.3530 -3.3530 -2.5660 -2.5660 -2.5651 -2.5651 0.2707 0.2707 0.5351 0.5351 0.5352 0.5352 2.0347 2.0347 2.0729 2.0729 2.0752 2.0752 3.6154 3.6154 3.6465 3.6465 3.6472 3.6472 6.2020 6.2020 6.2024 6.2024 6.4785 6.4785 8.6004 8.6004 8.6005 8.6005 13.5346 13.5346 13.6411 13.6411 13.6472 13.6472 16.2467 16.2467 k = 0.4922 0.4922 0.4922 ( 4032 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3726 -18.3726 -15.7272 -15.7272 -15.7081 -15.7081 -15.7080 -15.7080 -3.3540 -3.3540 -2.5669 -2.5669 -2.5667 -2.5667 0.2681 0.2681 0.5333 0.5333 0.5334 0.5334 2.0346 2.0346 2.0739 2.0739 2.0744 2.0744 3.6169 3.6169 3.6483 3.6483 3.6484 3.6484 6.2040 6.2040 6.2040 6.2040 6.4803 6.4803 8.6056 8.6056 8.6056 8.6056 13.5301 13.5301 13.6389 13.6389 13.6404 13.6404 16.2410 16.2410 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3726 -18.3726 -15.7271 -15.7271 -15.7079 -15.7079 -15.7079 -15.7079 -3.3543 -3.3543 -2.5672 -2.5672 -2.5672 -2.5672 0.2672 0.2672 0.5327 0.5327 0.5327 0.5327 2.0345 2.0345 2.0742 2.0742 2.0742 2.0742 3.6173 3.6173 3.6488 3.6488 3.6488 3.6488 6.2046 6.2046 6.2046 6.2046 6.4809 6.4809 8.6072 8.6072 8.6072 8.6072 13.5285 13.5285 13.6382 13.6382 13.6382 13.6382 16.2391 16.2391 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3726 -18.3726 -15.7271 -15.7271 -15.7079 -15.7079 -15.7079 -15.7079 -3.3543 -3.3543 -2.5672 -2.5672 -2.5672 -2.5672 0.2672 0.2672 0.5327 0.5327 0.5327 0.5327 2.0345 2.0345 2.0742 2.0742 2.0742 2.0742 3.6173 3.6173 3.6488 3.6488 3.6488 3.6488 6.2046 6.2046 6.2046 6.2046 6.4809 6.4809 8.6072 8.6072 8.6072 8.6072 13.5285 13.5285 13.6382 13.6382 13.6382 13.6382 16.2391 16.2391 k = 0.4904 0.5000 0.4904 ( 4032 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3726 -18.3726 -15.7272 -15.7272 -15.7081 -15.7081 -15.7080 -15.7080 -3.3540 -3.3540 -2.5669 -2.5669 -2.5667 -2.5667 0.2681 0.2681 0.5330 0.5330 0.5337 0.5337 2.0346 2.0346 2.0738 2.0738 2.0745 2.0745 3.6169 3.6169 3.6482 3.6482 3.6485 3.6485 6.2039 6.2039 6.2041 6.2041 6.4803 6.4803 8.6047 8.6047 8.6064 8.6064 13.5301 13.5301 13.6388 13.6388 13.6405 13.6405 16.2410 16.2410 k = 0.4808 0.5000 0.4808 ( 4064 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3727 -18.3727 -15.7274 -15.7274 -15.7086 -15.7086 -15.7080 -15.7080 -3.3530 -3.3530 -2.5660 -2.5660 -2.5650 -2.5650 0.2707 0.2707 0.5339 0.5339 0.5364 0.5364 2.0347 2.0347 2.0728 2.0728 2.0753 2.0753 3.6153 3.6153 3.6463 3.6463 3.6474 3.6474 6.2015 6.2015 6.2027 6.2027 6.4784 6.4784 8.5970 8.5970 8.6038 8.6038 13.5347 13.5347 13.6410 13.6410 13.6473 13.6473 16.2468 16.2468 k = 0.4712 0.5000 0.4712 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3729 -18.3729 -15.7279 -15.7279 -15.7094 -15.7094 -15.7081 -15.7081 -3.3513 -3.3513 -2.5645 -2.5645 -2.5622 -2.5622 0.2750 0.2750 0.5354 0.5354 0.5411 0.5411 2.0347 2.0347 2.0712 2.0712 2.0768 2.0768 3.6128 3.6128 3.6432 3.6432 3.6457 3.6457 6.1980 6.1980 6.2004 6.2004 6.4755 6.4755 8.5842 8.5842 8.5994 8.5994 13.5418 13.5418 13.6452 13.6452 13.6588 13.6588 16.2565 16.2565 k = 0.4615 0.5000 0.4615 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3730 -18.3730 -15.7285 -15.7285 -15.7104 -15.7104 -15.7082 -15.7082 -3.3490 -3.3490 -2.5624 -2.5624 -2.5583 -2.5583 0.2811 0.2811 0.5379 0.5379 0.5478 0.5478 2.0344 2.0344 2.0698 2.0698 2.0791 2.0791 3.6092 3.6092 3.6390 3.6390 3.6434 3.6434 6.1931 6.1931 6.1973 6.1973 6.4716 6.4716 8.5666 8.5666 8.5935 8.5935 13.5505 13.5505 13.6520 13.6520 13.6746 13.6746 16.2702 16.2702 k = 0.4519 0.5000 0.4519 ( 4108 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3733 -18.3733 -15.7294 -15.7294 -15.7116 -15.7116 -15.7084 -15.7084 -3.3461 -3.3461 -2.5598 -2.5598 -2.5534 -2.5534 0.2887 0.2887 0.5411 0.5411 0.5564 0.5564 2.0330 2.0330 2.0687 2.0687 2.0820 2.0820 3.6045 3.6045 3.6337 3.6337 3.6406 3.6406 6.1867 6.1867 6.1934 6.1934 6.4666 6.4666 8.5440 8.5440 8.5858 8.5858 13.5595 13.5595 13.6625 13.6625 13.6947 13.6947 16.2878 16.2878 k = 0.4423 0.5000 0.4423 ( 4108 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4054 -41.4054 -18.3735 -18.3735 -15.7306 -15.7306 -15.7129 -15.7129 -15.7086 -15.7086 -3.3425 -3.3425 -2.5565 -2.5565 -2.5474 -2.5474 0.2977 0.2977 0.5453 0.5453 0.5669 0.5669 2.0303 2.0303 2.0687 2.0687 2.0858 2.0858 3.5986 3.5986 3.6275 3.6275 3.6373 3.6373 6.1790 6.1790 6.1887 6.1887 6.4606 6.4606 8.5168 8.5168 8.5765 8.5765 13.5675 13.5675 13.6778 13.6778 13.7189 13.7189 16.3096 16.3096 k = 0.4327 0.5000 0.4327 ( 4106 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4054 -41.4054 -18.3738 -18.3738 -15.7322 -15.7322 -15.7143 -15.7143 -15.7087 -15.7087 -3.3384 -3.3384 -2.5527 -2.5527 -2.5404 -2.5404 0.3078 0.3078 0.5508 0.5508 0.5793 0.5793 2.0258 2.0258 2.0699 2.0699 2.0905 2.0905 3.5915 3.5915 3.6203 3.6203 3.6336 3.6336 6.1700 6.1700 6.1832 6.1832 6.4535 6.4535 8.4850 8.4850 8.5655 8.5655 13.5735 13.5735 13.6988 13.6988 13.7469 13.7469 16.3355 16.3355 k = 0.4231 0.5000 0.4231 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4053 -41.4053 -18.3742 -18.3742 -15.7342 -15.7342 -15.7156 -15.7156 -15.7089 -15.7089 -3.3337 -3.3337 -2.5483 -2.5483 -2.5324 -2.5324 0.3188 0.3188 0.5578 0.5578 0.5937 0.5937 2.0198 2.0198 2.0724 2.0724 2.0962 2.0962 3.5830 3.5830 3.6124 3.6124 3.6295 3.6295 6.1596 6.1596 6.1770 6.1770 6.4456 6.4456 8.4488 8.4488 8.5528 8.5528 13.5771 13.5771 13.7252 13.7252 13.7785 13.7785 16.3657 16.3657 k = 0.4135 0.5000 0.4135 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4054 -41.4054 -41.4053 -41.4053 -18.3746 -18.3746 -15.7368 -15.7368 -15.7168 -15.7168 -15.7092 -15.7092 -3.3285 -3.3285 -2.5434 -2.5434 -2.5236 -2.5236 0.3304 0.3304 0.5664 0.5664 0.6098 0.6098 2.0124 2.0124 2.0758 2.0758 2.1029 2.1029 3.5732 3.5732 3.6037 3.6037 3.6250 3.6250 6.1477 6.1477 6.1700 6.1700 6.4367 6.4367 8.4084 8.4084 8.5384 8.5384 13.5784 13.5784 13.7565 13.7565 13.8133 13.8133 16.4002 16.4002 k = 0.4038 0.5000 0.4038 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4054 -41.4054 -41.4052 -41.4052 -18.3751 -18.3751 -15.7399 -15.7399 -15.7178 -15.7178 -15.7094 -15.7094 -3.3228 -3.3228 -2.5380 -2.5380 -2.5139 -2.5139 0.3421 0.3421 0.5771 0.5771 0.6277 0.6277 2.0039 2.0039 2.0799 2.0799 2.1108 2.1108 3.5621 3.5621 3.5944 3.5944 3.6201 3.6201 6.1344 6.1344 6.1622 6.1622 6.4268 6.4268 8.3638 8.3638 8.5224 8.5224 13.5779 13.5779 13.7919 13.7919 13.8511 13.8511 16.4391 16.4391 k = 0.3942 0.5000 0.3942 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4054 -41.4054 -41.4052 -41.4052 -18.3756 -18.3756 -15.7436 -15.7436 -15.7186 -15.7186 -15.7097 -15.7097 -3.3166 -3.3166 -2.5322 -2.5322 -2.5034 -2.5034 0.3537 0.3537 0.5900 0.5900 0.6474 0.6474 1.9947 1.9947 2.0846 2.0846 2.1198 2.1198 3.5498 3.5498 3.5844 3.5844 3.6147 3.6147 6.1198 6.1198 6.1537 6.1537 6.4162 6.4162 8.3154 8.3154 8.5047 8.5047 13.5757 13.5757 13.8307 13.8307 13.8914 13.8914 16.4824 16.4824 k = 0.3846 0.5000 0.3846 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4054 -41.4054 -41.4051 -41.4051 -18.3762 -18.3762 -15.7478 -15.7478 -15.7194 -15.7194 -15.7100 -15.7100 -3.3101 -3.3101 -2.5258 -2.5258 -2.4922 -2.4922 0.3648 0.3648 0.6056 0.6056 0.6688 0.6688 1.9849 1.9849 2.0899 2.0899 2.1300 2.1300 3.5364 3.5364 3.5740 3.5740 3.6089 3.6089 6.1038 6.1038 6.1446 6.1446 6.4048 6.4048 8.2633 8.2633 8.4854 8.4854 13.5720 13.5720 13.8718 13.8718 13.9340 13.9340 16.5303 16.5303 k = 0.3750 0.5000 0.3750 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4054 -41.4054 -41.4051 -41.4051 -18.3768 -18.3768 -15.7523 -15.7523 -15.7200 -15.7200 -15.7103 -15.7103 -3.3031 -3.3031 -2.5191 -2.5191 -2.4804 -2.4804 0.3751 0.3751 0.6240 0.6240 0.6920 0.6920 1.9749 1.9749 2.0957 2.0957 2.1414 2.1414 3.5219 3.5219 3.5630 3.5630 3.6027 3.6027 6.0865 6.0865 6.1349 6.1349 6.3928 6.3928 8.2078 8.2078 8.4646 8.4646 13.5670 13.5670 13.9144 13.9144 13.9788 13.9788 16.5826 16.5826 k = 0.3654 0.5000 0.3654 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4054 -41.4054 -41.4050 -41.4050 -18.3775 -18.3775 -15.7573 -15.7573 -15.7205 -15.7205 -15.7105 -15.7105 -3.2959 -3.2959 -2.5119 -2.5119 -2.4680 -2.4680 0.3843 0.3843 0.6453 0.6453 0.7167 0.7167 1.9647 1.9647 2.1019 2.1019 2.1541 2.1541 3.5064 3.5064 3.5515 3.5515 3.5959 3.5959 6.0679 6.0679 6.1246 6.1246 6.3801 6.3801 8.1490 8.1490 8.4420 8.4420 13.5605 13.5605 13.9571 13.9571 14.0259 14.0259 16.5420 16.5420 k = 0.3558 0.5000 0.3558 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4053 -41.4053 -41.4049 -41.4049 -18.3782 -18.3782 -15.7627 -15.7627 -15.7209 -15.7209 -15.7108 -15.7108 -3.2883 -3.2883 -2.5043 -2.5043 -2.4552 -2.4552 0.3926 0.3926 0.6695 0.6695 0.7431 0.7431 1.9546 1.9546 2.1086 2.1086 2.1681 2.1681 3.4902 3.4902 3.5396 3.5396 3.5887 3.5887 6.0479 6.0479 6.1138 6.1138 6.3668 6.3668 8.0873 8.0873 8.4180 8.4180 13.5528 13.5528 13.9985 13.9985 14.0757 14.0757 16.4857 16.4857 k = 0.3462 0.5000 0.3462 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4053 -41.4053 -41.4049 -41.4049 -18.3789 -18.3789 -15.7683 -15.7683 -15.7213 -15.7213 -15.7111 -15.7111 -3.2805 -3.2805 -2.4964 -2.4964 -2.4420 -2.4420 0.3997 0.3997 0.6966 0.6966 0.7711 0.7711 1.9449 1.9449 2.1157 2.1157 2.1832 2.1832 3.4732 3.4732 3.5272 3.5272 3.5808 3.5808 6.0266 6.0266 6.1025 6.1025 6.3530 6.3530 8.0228 8.0228 8.3924 8.3924 13.5438 13.5438 14.0368 14.0368 14.1283 14.1283 16.4339 16.4339 k = 0.3365 0.5000 0.3365 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4053 -41.4053 -41.4048 -41.4048 -18.3797 -18.3797 -15.7743 -15.7743 -15.7216 -15.7216 -15.7114 -15.7114 -3.2726 -3.2726 -2.4882 -2.4882 -2.4285 -2.4285 0.4059 0.4059 0.7263 0.7263 0.8006 0.8006 1.9356 1.9356 2.1234 2.1234 2.1996 2.1996 3.4556 3.4556 3.5144 3.5144 3.5725 3.5725 6.0040 6.0040 6.0908 6.0908 6.3389 6.3389 7.9557 7.9557 8.3652 8.3652 13.5335 13.5335 14.0710 14.0710 14.1838 14.1838 16.3859 16.3859 k = 0.3269 0.5000 0.3269 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4053 -41.4053 -41.4047 -41.4047 -18.3806 -18.3806 -15.7805 -15.7805 -15.7218 -15.7218 -15.7116 -15.7116 -3.2645 -3.2645 -2.4797 -2.4797 -2.4149 -2.4149 0.4111 0.4111 0.7585 0.7585 0.8316 0.8316 1.9271 1.9271 2.1315 2.1315 2.2173 2.2173 3.4375 3.4375 3.5011 3.5011 3.5636 3.5636 5.9801 5.9801 6.0787 6.0787 6.3243 6.3243 7.8863 7.8863 8.3366 8.3366 13.5221 13.5221 14.0998 14.0998 14.2421 14.2421 16.3224 16.3224 k = 0.3173 0.5000 0.3173 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4052 -41.4052 -41.4046 -41.4046 -18.3815 -18.3815 -15.7869 -15.7869 -15.7221 -15.7221 -15.7118 -15.7118 -3.2563 -3.2563 -2.4710 -2.4710 -2.4012 -2.4012 0.4157 0.4157 0.7929 0.7929 0.8639 0.8639 1.9195 1.9195 2.1402 2.1402 2.2363 2.2363 3.4191 3.4191 3.4874 3.4874 3.5541 3.5541 5.9551 5.9551 6.0663 6.0663 6.3095 6.3095 7.8149 7.8149 8.3066 8.3066 13.5095 13.5095 14.1224 14.1224 14.3029 14.3029 16.2292 16.2292 k = 0.3077 0.5000 0.3077 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4052 -41.4052 -41.4045 -41.4045 -18.3824 -18.3824 -15.7935 -15.7935 -15.7223 -15.7223 -15.7121 -15.7121 -3.2480 -3.2480 -2.4620 -2.4620 -2.3876 -2.3876 0.4195 0.4195 0.8292 0.8292 0.8975 0.8975 1.9129 1.9129 2.1494 2.1494 2.2566 2.2566 3.4004 3.4004 3.4733 3.4733 3.5440 3.5440 5.9288 5.9288 6.0536 6.0536 6.2944 6.2944 7.7414 7.7414 8.2751 8.2751 13.4958 13.4958 14.1380 14.1380 14.3657 14.3657 16.1341 16.1341 k = 0.2981 0.5000 0.2981 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4052 -41.4052 -41.4044 -41.4044 -18.3834 -18.3834 -15.8003 -15.8003 -15.7224 -15.7224 -15.7122 -15.7122 -3.2397 -3.2397 -2.4529 -2.4529 -2.3740 -2.3740 0.4229 0.4229 0.8672 0.8672 0.9325 0.9325 1.9076 1.9076 2.1592 2.1592 2.2782 2.2782 3.3815 3.3815 3.4586 3.4586 3.5332 3.5332 5.9013 5.9013 6.0406 6.0406 6.2791 6.2791 7.6664 7.6664 8.2422 8.2422 13.4812 13.4812 14.1461 14.1461 14.4302 14.4302 16.0401 16.0401 k = 0.2885 0.5000 0.2885 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4052 -41.4052 -41.4044 -41.4044 -18.3845 -18.3845 -15.8072 -15.8072 -15.7226 -15.7226 -15.7124 -15.7124 -3.2314 -3.2314 -2.4437 -2.4437 -2.3607 -2.3607 0.4258 0.4258 0.9067 0.9067 0.9686 0.9686 1.9037 1.9037 2.1695 2.1695 2.3012 2.3012 3.3627 3.3627 3.4436 3.4436 3.5218 3.5218 5.8727 5.8727 6.0276 6.0276 6.2638 6.2638 7.5898 7.5898 8.2081 8.2081 13.4656 13.4656 14.1464 14.1464 14.4963 14.4963 15.9478 15.9478 k = 0.2788 0.5000 0.2788 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4052 -41.4052 -41.4043 -41.4043 -18.3855 -18.3855 -15.8142 -15.8142 -15.7228 -15.7228 -15.7124 -15.7124 -3.2232 -3.2232 -2.4343 -2.4343 -2.3477 -2.3477 0.4284 0.4284 0.9474 0.9474 1.0058 1.0058 1.9015 1.9015 2.1804 2.1804 2.3255 2.3255 3.3438 3.3438 3.4281 3.4281 3.5098 3.5098 5.8431 5.8431 6.0144 6.0144 6.2484 6.2484 7.5121 7.5121 8.1727 8.1727 13.4493 13.4493 14.1388 14.1388 14.5635 14.5635 15.8575 15.8575 k = 0.2692 0.5000 0.2692 ( 4112 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4051 -41.4051 -41.4042 -41.4042 -18.3866 -18.3866 -15.8213 -15.8213 -15.7229 -15.7229 -15.7125 -15.7125 -3.2151 -3.2151 -2.4249 -2.4249 -2.3351 -2.3351 0.4307 0.4307 0.9891 0.9891 1.0440 1.0440 1.9010 1.9010 2.1918 2.1918 2.3512 2.3512 3.3252 3.3252 3.4120 3.4120 3.4971 3.4971 5.8123 5.8123 6.0011 6.0011 6.2330 6.2330 7.4333 7.4333 8.1362 8.1362 13.4322 13.4322 14.1234 14.1234 14.6317 14.6317 15.7691 15.7691 k = 0.2596 0.5000 0.2596 ( 4108 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4051 -41.4051 -41.4041 -41.4041 -18.3877 -18.3877 -15.8285 -15.8285 -15.7230 -15.7230 -15.7124 -15.7124 -3.2072 -3.2072 -2.4155 -2.4155 -2.3229 -2.3229 0.4328 0.4328 1.0316 1.0316 1.0831 1.0831 1.9024 1.9024 2.2039 2.2039 2.3782 2.3782 3.3069 3.3069 3.3955 3.3955 3.4838 3.4838 5.7807 5.7807 5.9879 5.9879 6.2176 6.2176 7.3537 7.3537 8.0985 8.0985 13.4146 13.4146 14.1007 14.1007 14.7007 14.7007 15.6829 15.6829 k = 0.2500 0.5000 0.2500 ( 4130 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4051 -41.4051 -41.4040 -41.4040 -18.3889 -18.3889 -15.8356 -15.8356 -15.7232 -15.7232 -15.7123 -15.7123 -3.1994 -3.1994 -2.4061 -2.4061 -2.3113 -2.3113 0.4348 0.4348 1.0745 1.0745 1.1230 1.1230 1.9058 1.9058 2.2165 2.2165 2.4063 2.4063 3.2890 3.2890 3.3783 3.3783 3.4698 3.4698 5.7480 5.7480 5.9746 5.9746 6.2023 6.2023 7.2734 7.2734 8.0599 8.0599 13.3965 13.3965 14.0713 14.0713 14.7701 14.7701 15.5989 15.5989 k = 0.2404 0.5000 0.2404 ( 4106 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4050 -41.4050 -41.4039 -41.4039 -18.3900 -18.3900 -15.8428 -15.8428 -15.7233 -15.7233 -15.7122 -15.7122 -3.1917 -3.1917 -2.3967 -2.3967 -2.3003 -2.3003 0.4367 0.4367 1.1180 1.1180 1.1637 1.1637 1.9113 1.9113 2.2298 2.2298 2.4360 2.4360 3.2718 3.2718 3.3607 3.3607 3.4551 3.4551 5.7147 5.7147 5.9616 5.9616 6.1873 6.1873 7.1931 7.1931 8.0204 8.0204 13.3781 13.3781 14.0359 14.0359 14.8399 14.8399 15.5173 15.5173 k = 0.2308 0.5000 0.2308 ( 4106 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4050 -41.4050 -41.4038 -41.4038 -18.3912 -18.3912 -15.8499 -15.8499 -15.7235 -15.7235 -15.7119 -15.7119 -3.1844 -3.1844 -2.3875 -2.3875 -2.2899 -2.2899 0.4384 0.4384 1.1614 1.1614 1.2049 1.2049 1.9190 1.9190 2.2436 2.2436 2.4670 2.4670 3.2551 3.2551 3.3424 3.3424 3.4398 3.4398 5.6806 5.6806 5.9487 5.9487 6.1723 6.1723 7.1125 7.1125 7.9801 7.9801 13.3595 13.3595 13.9954 13.9954 14.9097 14.9097 15.4381 15.4381 k = 0.2212 0.5000 0.2212 ( 4098 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4050 -41.4050 -41.4037 -41.4037 -18.3924 -18.3924 -15.8569 -15.8569 -15.7237 -15.7237 -15.7116 -15.7116 -3.1772 -3.1772 -2.3783 -2.3783 -2.2802 -2.2802 0.4401 0.4401 1.2048 1.2048 1.2465 1.2465 1.9289 1.9289 2.2580 2.2580 2.4991 2.4991 3.2392 3.2392 3.3235 3.3235 3.4238 3.4238 5.6457 5.6457 5.9361 5.9361 6.1577 6.1577 7.0320 7.0320 7.9392 7.9392 13.3407 13.3407 13.9506 13.9506 14.9794 14.9794 15.3614 15.3614 k = 0.2115 0.5000 0.2115 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4050 -41.4050 -41.4036 -41.4036 -18.3936 -18.3936 -15.8639 -15.8639 -15.7239 -15.7239 -15.7112 -15.7112 -3.1704 -3.1704 -2.3694 -2.3694 -2.2711 -2.2711 0.4417 0.4417 1.2480 1.2480 1.2883 1.2883 1.9411 1.9411 2.2730 2.2730 2.5325 2.5325 3.2241 3.2241 3.3039 3.3039 3.4071 3.4071 5.6103 5.6103 5.9236 5.9236 6.1432 6.1432 6.9518 6.9518 7.8978 7.8978 13.3220 13.3220 13.9023 13.9023 15.0488 15.0488 15.2873 15.2873 k = 0.2019 0.5000 0.2019 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4049 -41.4049 -41.4035 -41.4035 -18.3948 -18.3948 -15.8707 -15.8707 -15.7241 -15.7241 -15.7108 -15.7108 -3.1638 -3.1638 -2.3606 -2.3606 -2.2628 -2.2628 0.4432 0.4432 1.2906 1.2906 1.3300 1.3300 1.9555 1.9555 2.2886 2.2886 2.5669 2.5669 3.2099 3.2099 3.2837 3.2837 3.3899 3.3899 5.5744 5.5744 5.9114 5.9114 6.1289 6.1289 6.8723 6.8723 7.8559 7.8559 13.3035 13.3035 13.8513 13.8513 15.1176 15.1176 15.2160 15.2160 k = 0.1923 0.5000 0.1923 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8686 -45.8686 -41.4049 -41.4049 -41.4034 -41.4034 -18.3960 -18.3960 -15.8774 -15.8774 -15.7243 -15.7243 -15.7103 -15.7103 -3.1575 -3.1575 -2.3521 -2.3521 -2.2552 -2.2552 0.4448 0.4448 1.3328 1.3328 1.3716 1.3716 1.9723 1.9723 2.3047 2.3047 2.6024 2.6024 3.1967 3.1967 3.2628 3.2628 3.3720 3.3720 5.5381 5.5381 5.8997 5.8997 6.1149 6.1149 6.7939 6.7939 7.8139 7.8139 13.2851 13.2851 13.7984 13.7984 15.1470 15.1470 15.1859 15.1859 k = 0.1827 0.5000 0.1827 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4049 -41.4049 -41.4034 -41.4034 -18.3972 -18.3972 -15.8840 -15.8840 -15.7245 -15.7245 -15.7098 -15.7098 -3.1516 -3.1516 -2.3439 -2.3439 -2.2483 -2.2483 0.4463 0.4463 1.3742 1.3742 1.4127 1.4127 1.9912 1.9912 2.3213 2.3213 2.6387 2.6387 3.1844 3.1844 3.2414 3.2414 3.3535 3.3535 5.5015 5.5015 5.8883 5.8883 6.1012 6.1012 6.7166 6.7166 7.7718 7.7718 13.2672 13.2672 13.7442 13.7442 15.0814 15.0814 15.2528 15.2528 k = 0.1731 0.5000 0.1731 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4049 -41.4049 -41.4033 -41.4033 -18.3983 -18.3983 -15.8903 -15.8903 -15.7247 -15.7247 -15.7092 -15.7092 -3.1460 -3.1460 -2.3360 -2.3360 -2.2420 -2.2420 0.4477 0.4477 1.4147 1.4147 1.4532 1.4532 2.0124 2.0124 2.3385 2.3385 2.6758 2.6758 3.1728 3.1728 3.2196 3.2196 3.3345 3.3345 5.4647 5.4647 5.8773 5.8773 6.0876 6.0876 6.6409 6.6409 7.7298 7.7298 13.2496 13.2496 13.6895 13.6895 15.0186 15.0186 15.3185 15.3185 k = 0.1635 0.5000 0.1635 ( 4108 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4048 -41.4048 -41.4032 -41.4032 -18.3995 -18.3995 -15.8965 -15.8965 -15.7250 -15.7250 -15.7086 -15.7086 -3.1407 -3.1407 -2.3285 -2.3285 -2.2364 -2.2364 0.4492 0.4492 1.4542 1.4542 1.4927 1.4927 2.0356 2.0356 2.3561 2.3561 2.7135 2.7135 3.1613 3.1613 3.1982 3.1982 3.3150 3.3150 5.4279 5.4279 5.8666 5.8666 6.0740 6.0740 6.5670 6.5670 7.6881 7.6881 13.2326 13.2326 13.6347 13.6347 14.9587 14.9587 15.3827 15.3827 k = 0.1538 0.5000 0.1538 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8685 -45.8685 -41.4048 -41.4048 -41.4031 -41.4031 -18.4006 -18.4006 -15.9024 -15.9024 -15.7252 -15.7252 -15.7080 -15.7080 -3.1358 -3.1358 -2.3213 -2.3213 -2.2314 -2.2314 0.4506 0.4506 1.4925 1.4925 1.5313 1.5313 2.0609 2.0609 2.3742 2.3742 2.7517 2.7517 3.1480 3.1480 3.1791 3.1791 3.2950 3.2950 5.3913 5.3913 5.8567 5.8567 6.0606 6.0606 6.4957 6.4957 7.6470 7.6470 13.2162 13.2162 13.5803 13.5803 14.9020 14.9020 15.4453 15.4453 k = 0.1442 0.5000 0.1442 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4048 -41.4048 -41.4030 -41.4030 -18.4017 -18.4017 -15.9081 -15.9081 -15.7254 -15.7254 -15.7073 -15.7073 -3.1313 -3.1313 -2.3146 -2.3146 -2.2269 -2.2269 0.4521 0.4521 1.5295 1.5295 1.5684 1.5684 2.0881 2.0881 2.3927 2.3927 2.7900 2.7900 3.1300 3.1300 3.1653 3.1653 3.2748 3.2748 5.3549 5.3549 5.8472 5.8472 6.0469 6.0469 6.4271 6.4271 7.6067 7.6067 13.2005 13.2005 13.5270 13.5270 14.8483 14.8483 15.5058 15.5058 k = 0.1346 0.5000 0.1346 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4048 -41.4048 -41.4030 -41.4030 -18.4027 -18.4027 -15.9135 -15.9135 -15.7256 -15.7256 -15.7067 -15.7067 -3.1270 -3.1270 -2.3083 -2.3083 -2.2229 -2.2229 0.4534 0.4534 1.5649 1.5649 1.6040 1.6040 2.1170 2.1170 2.4115 2.4115 2.8283 2.8283 3.1070 3.1070 3.1570 3.1570 3.2542 3.2542 5.3191 5.3191 5.8381 5.8381 6.0326 6.0326 6.3620 6.3620 7.5673 7.5673 13.1856 13.1856 13.4751 13.4751 14.7978 14.7978 15.5641 15.5641 k = 0.1250 0.5000 0.1250 ( 4086 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4047 -41.4047 -41.4029 -41.4029 -18.4038 -18.4038 -15.9186 -15.9186 -15.7258 -15.7258 -15.7060 -15.7060 -3.1232 -3.1232 -2.3025 -2.3025 -2.2193 -2.2193 0.4547 0.4547 1.5988 1.5988 1.6380 1.6380 2.1477 2.1477 2.4305 2.4305 2.8662 2.8662 3.0810 3.0810 3.1520 3.1520 3.2334 3.2334 5.2838 5.2838 5.8296 5.8296 6.0174 6.0174 6.3012 6.3012 7.5292 7.5292 13.1715 13.1715 13.4250 13.4250 14.7505 14.7505 15.6199 15.6199 k = 0.1154 0.5000 0.1154 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4047 -41.4047 -41.4028 -41.4028 -18.4047 -18.4047 -15.9234 -15.9234 -15.7261 -15.7261 -15.7054 -15.7054 -3.1197 -3.1197 -2.2972 -2.2972 -2.2162 -2.2162 0.4559 0.4559 1.6307 1.6307 1.6699 1.6699 2.1798 2.1798 2.4497 2.4497 2.9035 2.9035 3.0533 3.0533 3.1493 3.1493 3.2125 3.2125 5.2494 5.2494 5.8217 5.8217 6.0005 6.0005 6.2457 6.2457 7.4926 7.4926 13.1583 13.1583 13.3770 13.3770 14.7066 14.7066 15.6728 15.6728 k = 0.1058 0.5000 0.1058 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8684 -45.8684 -41.4047 -41.4047 -41.4028 -41.4028 -18.4056 -18.4056 -15.9279 -15.9279 -15.7263 -15.7263 -15.7047 -15.7047 -3.1165 -3.1165 -2.2923 -2.2923 -2.2134 -2.2134 0.4571 0.4571 1.6607 1.6607 1.6998 1.6998 2.2133 2.2133 2.4690 2.4690 2.9397 2.9397 3.0243 3.0243 3.1481 3.1481 3.1918 3.1918 5.2160 5.2160 5.8144 5.8144 5.9811 5.9811 6.1967 6.1967 7.4576 7.4576 13.1460 13.1460 13.3317 13.3317 14.6659 14.6659 15.7228 15.7228 k = 0.0962 0.5000 0.0962 ( 4094 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4027 -41.4027 -18.4065 -18.4065 -15.9320 -15.9320 -15.7265 -15.7265 -15.7041 -15.7041 -3.1136 -3.1136 -2.2880 -2.2880 -2.2109 -2.2109 0.4582 0.4582 1.6885 1.6885 1.7275 1.7275 2.2480 2.2480 2.4882 2.4882 2.9735 2.9735 2.9953 2.9953 3.1480 3.1480 3.1717 3.1717 5.1841 5.1841 5.8076 5.8076 5.9584 5.9584 6.1553 6.1553 7.4246 7.4246 13.1346 13.1346 13.2892 13.2892 14.6287 14.6287 15.7694 15.7694 k = 0.0865 0.5000 0.0865 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4027 -41.4027 -18.4072 -18.4072 -15.9358 -15.9358 -15.7266 -15.7266 -15.7035 -15.7035 -3.1111 -3.1111 -2.2842 -2.2842 -2.2087 -2.2087 0.4592 0.4592 1.7141 1.7141 1.7529 1.7529 2.2837 2.2837 2.5071 2.5071 2.9616 2.9616 3.0091 3.0091 3.1451 3.1451 3.1561 3.1561 5.1538 5.1538 5.8015 5.8015 5.9321 5.9321 6.1223 6.1223 7.3939 7.3939 13.1243 13.1243 13.2498 13.2498 14.5949 14.5949 15.8124 15.8124 k = 0.0769 0.5000 0.0769 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4026 -41.4026 -18.4079 -18.4079 -15.9392 -15.9392 -15.7268 -15.7268 -15.7030 -15.7030 -3.1089 -3.1089 -2.2809 -2.2809 -2.2068 -2.2068 0.4602 0.4602 1.7373 1.7373 1.7758 1.7758 2.3203 2.3203 2.5256 2.5256 2.9297 2.9297 3.0398 3.0398 3.1291 3.1291 3.1552 3.1552 5.1255 5.1255 5.7960 5.7960 5.9031 5.9031 6.0970 6.0970 7.3656 7.3656 13.1149 13.1149 13.2139 13.2139 14.5645 14.5645 15.8515 15.8515 k = 0.0673 0.5000 0.0673 ( 4090 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4047 -41.4047 -41.4026 -41.4026 -18.4086 -18.4086 -15.9423 -15.9423 -15.7269 -15.7269 -15.7025 -15.7025 -3.1069 -3.1069 -2.2780 -2.2780 -2.2050 -2.2050 0.4611 0.4611 1.7580 1.7580 1.7962 1.7962 2.3574 2.3574 2.5434 2.5434 2.8966 2.8966 3.0680 3.0680 3.1109 3.1109 3.1582 3.1582 5.0993 5.0993 5.7911 5.7911 5.8730 5.8730 6.0782 6.0782 7.3400 7.3400 13.1067 13.1067 13.1816 13.1816 14.5376 14.5376 15.8865 15.8865 k = 0.0577 0.5000 0.0577 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4091 -18.4091 -15.9450 -15.9450 -15.7271 -15.7271 -15.7021 -15.7021 -3.1053 -3.1053 -2.2756 -2.2756 -2.2035 -2.2035 0.4618 0.4618 1.7761 1.7761 1.8140 1.8140 2.3950 2.3950 2.5603 2.5603 2.8626 2.8626 3.0898 3.0898 3.0969 3.0969 3.1624 3.1624 5.0759 5.0759 5.7869 5.7869 5.8437 5.8437 6.0642 6.0642 7.3174 7.3174 13.0995 13.0995 13.1532 13.1532 14.5143 14.5143 15.9170 15.9170 k = 0.0481 0.5000 0.0481 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4096 -18.4096 -15.9472 -15.9472 -15.7272 -15.7272 -15.7017 -15.7017 -3.1039 -3.1039 -2.2737 -2.2737 -2.2022 -2.2022 0.4625 0.4625 1.7915 1.7915 1.8292 1.8292 2.4326 2.4326 2.5761 2.5761 2.8279 2.8279 3.0767 3.0767 3.1155 3.1155 3.1673 3.1673 5.0552 5.0552 5.7832 5.7832 5.8169 5.8169 6.0539 6.0539 7.2978 7.2978 13.0934 13.0934 13.1289 13.1289 14.4945 14.4945 15.9426 15.9426 k = 0.0385 0.5000 0.0385 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4100 -18.4100 -15.9491 -15.9491 -15.7273 -15.7273 -15.7014 -15.7014 -3.1028 -3.1028 -2.2721 -2.2721 -2.2012 -2.2012 0.4630 0.4630 1.8042 1.8042 1.8415 1.8415 2.4698 2.4698 2.5904 2.5904 2.7926 2.7926 3.0627 3.0627 3.1324 3.1324 3.1729 3.1729 5.0377 5.0377 5.7802 5.7802 5.7936 5.7936 6.0463 6.0463 7.2815 7.2815 13.0883 13.0883 13.1087 13.1087 14.4783 14.4783 15.9628 15.9628 k = 0.0288 0.5000 0.0288 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4103 -18.4103 -15.9506 -15.9506 -15.7273 -15.7273 -15.7012 -15.7012 -3.1019 -3.1019 -2.2710 -2.2710 -2.2003 -2.2003 0.4635 0.4635 1.8141 1.8141 1.8513 1.8513 2.5059 2.5059 2.6034 2.6034 2.7570 2.7570 3.0511 3.0511 3.1446 3.1446 3.1790 3.1790 5.0239 5.0239 5.7748 5.7748 5.7780 5.7780 6.0408 6.0408 7.2687 7.2687 13.0844 13.0844 13.0930 13.0930 14.4656 14.4656 15.9768 15.9768 k = 0.0192 0.5000 0.0192 ( 4102 PWs) bands (ev): -77.0418 -77.0418 -45.8683 -45.8683 -41.4046 -41.4046 -41.4025 -41.4025 -18.4106 -18.4106 -15.9516 -15.9516 -15.7274 -15.7274 -15.7010 -15.7010 -3.1013 -3.1013 -2.2702 -2.2702 -2.1997 -2.1997 0.4637 0.4637 1.8213 1.8213 1.8583 1.8583 2.5387 2.5387 2.6160 2.6160 2.7215 2.7215 3.0423 3.0423 3.1522 3.1522 3.1847 3.1847 5.0138 5.0138 5.7611 5.7611 5.7763 5.7763 6.0371 6.0371 7.2594 7.2594 13.0807 13.0807 13.0824 13.0824 14.4566 14.4566 15.9841 15.9841 k = 0.0096 0.5000 0.0096 ( 4110 PWs) bands (ev): -77.0419 -77.0419 -45.8683 -45.8683 -41.4046 -41.4046 -41.4024 -41.4024 -18.4107 -18.4107 -15.9523 -15.9523 -15.7274 -15.7274 -15.7009 -15.7009 -3.1010 -3.1010 -2.2697 -2.2697 -2.1993 -2.1993 0.4639 0.4639 1.8255 1.8255 1.8624 1.8624 2.5635 2.5635 2.6316 2.6316 2.6872 2.6872 3.0368 3.0368 3.1563 3.1563 3.1889 3.1889 5.0076 5.0076 5.7526 5.7526 5.7752 5.7752 6.0349 6.0349 7.2538 7.2538 13.0745 13.0745 13.0801 13.0801 14.4512 14.4512 15.9864 15.9864 k = 0.0000 0.5000-0.0000 ( 4116 PWs) bands (ev): -77.0419 -77.0419 -45.8683 -45.8683 -41.4046 -41.4046 -41.4024 -41.4024 -18.4107 -18.4107 -15.9525 -15.9525 -15.7274 -15.7274 -15.7008 -15.7008 -3.1009 -3.1009 -2.2695 -2.2695 -2.1992 -2.1992 0.4640 0.4640 1.8270 1.8270 1.8638 1.8638 2.5729 2.5729 2.6516 2.6516 2.6599 2.6599 3.0350 3.0350 3.1576 3.1576 3.1903 3.1903 5.0055 5.0055 5.7498 5.7498 5.7749 5.7749 6.0342 6.0342 7.2519 7.2519 13.0723 13.0723 13.0795 13.0795 14.4494 14.4494 15.9867 15.9867 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3859 -18.3859 -15.8343 -15.8343 -15.7282 -15.7282 -15.7156 -15.7156 -3.1745 -3.1745 -2.4064 -2.4064 -2.1952 -2.1952 0.3455 0.3455 0.5273 0.5273 1.5465 1.5465 2.0522 2.0522 2.4030 2.4030 2.4340 2.4340 3.1250 3.1250 3.1342 3.1342 3.6256 3.6256 5.7383 5.7383 5.9226 5.9226 6.3185 6.3185 6.4393 6.4393 8.6056 8.6056 13.5230 13.5230 14.8760 14.8760 15.6406 15.6406 15.6585 15.6585 k = 0.5000 0.5000 0.0135 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4034 -41.4034 -18.3859 -18.3859 -15.8341 -15.8341 -15.7282 -15.7282 -15.7156 -15.7156 -3.1748 -3.1748 -2.4067 -2.4067 -2.1960 -2.1960 0.3455 0.3455 0.5272 0.5272 1.5475 1.5475 2.0479 2.0479 2.4020 2.4020 2.4327 2.4327 3.1263 3.1263 3.1356 3.1356 3.6256 3.6256 5.7394 5.7394 5.9231 5.9231 6.3186 6.3186 6.4440 6.4440 8.6056 8.6056 13.5231 13.5231 14.8784 14.8784 15.6306 15.6306 15.6489 15.6489 k = 0.5000 0.5000 0.0270 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8687 -45.8687 -41.4056 -41.4056 -41.4035 -41.4035 -18.3858 -18.3858 -15.8335 -15.8335 -15.7282 -15.7282 -15.7155 -15.7155 -3.1758 -3.1758 -2.4076 -2.4076 -2.1983 -2.1983 0.3455 0.3455 0.5273 0.5273 1.5506 1.5506 2.0353 2.0353 2.3991 2.3991 2.4291 2.4291 3.1302 3.1302 3.1399 3.1399 3.6257 3.6257 5.7429 5.7429 5.9250 5.9250 6.3190 6.3190 6.4582 6.4582 8.6056 8.6056 13.5234 13.5234 14.8859 14.8859 15.6016 15.6016 15.6211 15.6211 k = 0.5000 0.5000 0.0405 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4035 -41.4035 -18.3857 -18.3857 -15.8325 -15.8325 -15.7281 -15.7281 -15.7155 -15.7155 -3.1773 -3.1773 -2.4091 -2.4091 -2.2022 -2.2022 0.3456 0.3456 0.5273 0.5273 1.5557 1.5557 2.0146 2.0146 2.3943 2.3943 2.4232 2.4232 3.1366 3.1366 3.1470 3.1470 3.6258 3.6258 5.7487 5.7487 5.9280 5.9280 6.3196 6.3196 6.4817 6.4817 8.6056 8.6056 13.5239 13.5239 14.8983 14.8983 15.5564 15.5564 15.5776 15.5776 k = 0.5000 0.5000 0.0541 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4035 -41.4035 -18.3855 -18.3855 -15.8310 -15.8310 -15.7280 -15.7280 -15.7154 -15.7154 -3.1795 -3.1795 -2.4112 -2.4112 -2.2076 -2.2076 0.3457 0.3457 0.5274 0.5274 1.5628 1.5628 1.9862 1.9862 2.3879 2.3879 2.4152 2.4152 3.1454 3.1454 3.1567 3.1567 3.6260 3.6260 5.7565 5.7565 5.9322 5.9322 6.3205 6.3205 6.5142 6.5142 8.6056 8.6056 13.5245 13.5245 14.9157 14.9157 15.4983 15.4983 15.5216 15.5216 k = 0.5000 0.5000 0.0676 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4035 -41.4035 -18.3853 -18.3853 -15.8292 -15.8292 -15.7279 -15.7279 -15.7153 -15.7153 -3.1823 -3.1823 -2.4138 -2.4138 -2.2144 -2.2144 0.3458 0.3458 0.5275 0.5275 1.5719 1.5719 1.9507 1.9507 2.3798 2.3798 2.4053 2.4053 3.1563 3.1563 3.1687 3.1687 3.6262 3.6262 5.7661 5.7661 5.9376 5.9376 6.3217 6.3217 6.5552 6.5552 8.6056 8.6056 13.5254 13.5254 14.9381 14.9381 15.4305 15.4305 15.4562 15.4562 k = 0.5000 0.5000 0.0811 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4036 -41.4036 -18.3851 -18.3851 -15.8269 -15.8269 -15.7277 -15.7277 -15.7151 -15.7151 -3.1857 -3.1857 -2.4170 -2.4170 -2.2226 -2.2226 0.3459 0.3459 0.5275 0.5275 1.5827 1.5827 1.9086 1.9086 2.3704 2.3704 2.3937 2.3937 3.1693 3.1693 3.1828 3.1828 3.6264 3.6264 5.7771 5.7771 5.9440 5.9440 6.3231 6.3231 6.6045 6.6045 8.6056 8.6056 13.5265 13.5265 14.9654 14.9654 15.3557 15.3557 15.3840 15.3840 k = 0.5000 0.5000 0.0946 ( 4084 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4036 -41.4036 -18.3848 -18.3848 -15.8243 -15.8243 -15.7275 -15.7275 -15.7149 -15.7149 -3.1896 -3.1896 -2.4206 -2.4206 -2.2320 -2.2320 0.3461 0.3461 0.5277 0.5277 1.5953 1.5953 1.8609 1.8609 2.3597 2.3597 2.3808 2.3808 3.1840 3.1840 3.1988 3.1988 3.6268 3.6268 5.7896 5.7896 5.9517 5.9517 6.3249 6.3249 6.6615 6.6615 8.6058 8.6058 13.5277 13.5277 14.9976 14.9976 15.2761 15.2761 15.3068 15.3068 k = 0.5000 0.5000 0.1081 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4037 -41.4037 -18.3844 -18.3844 -15.8214 -15.8214 -15.7273 -15.7273 -15.7147 -15.7147 -3.1941 -3.1941 -2.4248 -2.4248 -2.2427 -2.2427 0.3462 0.3462 0.5278 0.5278 1.6094 1.6094 1.8080 1.8080 2.3481 2.3481 2.3667 2.3667 3.2003 3.2003 3.2162 3.2162 3.6271 3.6271 5.8031 5.8031 5.9602 5.9602 6.3269 6.3269 6.7253 6.7253 8.6059 8.6059 13.5291 13.5291 15.0347 15.0347 15.1931 15.1931 15.2264 15.2264 k = 0.5000 0.5000 0.1216 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4037 -41.4037 -18.3841 -18.3841 -15.8181 -15.8181 -15.7271 -15.7271 -15.7145 -15.7145 -3.1990 -3.1990 -2.4295 -2.4295 -2.2544 -2.2544 0.3464 0.3464 0.5280 0.5280 1.6251 1.6251 1.7510 1.7510 2.3356 2.3356 2.3517 2.3517 3.2178 3.2178 3.2349 3.2349 3.6275 3.6275 5.8177 5.8177 5.9698 5.9698 6.3293 6.3293 6.7954 6.7954 8.6058 8.6058 13.5308 13.5308 15.0766 15.0766 15.1081 15.1081 15.1440 15.1440 k = 0.5000 0.5000 0.1351 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4038 -41.4038 -18.3837 -18.3837 -15.8145 -15.8145 -15.7268 -15.7268 -15.7143 -15.7143 -3.2045 -3.2045 -2.4345 -2.4345 -2.2670 -2.2670 0.3465 0.3465 0.5281 0.5281 1.6420 1.6420 1.6904 1.6904 2.3225 2.3225 2.3360 2.3360 3.2364 3.2364 3.2546 3.2546 3.6279 3.6279 5.8328 5.8328 5.9800 5.9800 6.3319 6.3319 6.8708 6.8708 8.6058 8.6058 13.5326 13.5326 15.0218 15.0218 15.0597 15.0597 15.1239 15.1239 k = 0.5000 0.5000 0.1486 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8688 -45.8688 -41.4056 -41.4056 -41.4039 -41.4039 -18.3832 -18.3832 -15.8106 -15.8106 -15.7265 -15.7265 -15.7141 -15.7141 -3.2103 -3.2103 -2.4400 -2.4400 -2.2805 -2.2805 0.3466 0.3466 0.5283 0.5283 1.6271 1.6271 1.6601 1.6601 2.3089 2.3089 2.3199 2.3199 3.2559 3.2559 3.2751 3.2751 3.6284 3.6284 5.8488 5.8488 5.9910 5.9910 6.3348 6.3348 6.9508 6.9508 8.6059 8.6059 13.5345 13.5345 14.9352 14.9352 14.9755 14.9755 15.1755 15.1755 k = 0.5000 0.5000 0.1622 ( 4076 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4056 -41.4056 -41.4039 -41.4039 -18.3827 -18.3827 -15.8064 -15.8064 -15.7262 -15.7262 -15.7138 -15.7138 -3.2166 -3.2166 -2.4457 -2.4457 -2.2947 -2.2947 0.3466 0.3466 0.5285 0.5285 1.5619 1.5619 1.6793 1.6793 2.2950 2.2950 2.3034 2.3034 3.2760 3.2760 3.2962 3.2962 3.6288 3.6288 5.8655 5.8655 6.0027 6.0027 6.3382 6.3382 7.0346 7.0346 8.6059 8.6059 13.5367 13.5367 14.8488 14.8488 14.8913 14.8913 15.2320 15.2320 k = 0.5000 0.5000 0.1757 ( 4084 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4056 -41.4056 -41.4040 -41.4040 -18.3823 -18.3823 -15.8021 -15.8021 -15.7259 -15.7259 -15.7135 -15.7135 -3.2232 -3.2232 -2.4518 -2.4518 -2.3095 -2.3095 0.3465 0.3465 0.5287 0.5287 1.4951 1.4951 1.6993 1.6993 2.2809 2.2809 2.2867 2.2867 3.2966 3.2966 3.3177 3.3177 3.6293 3.6293 5.8826 5.8826 6.0149 6.0149 6.3418 6.3418 7.1212 7.1212 8.6060 8.6060 13.5390 13.5390 14.7630 14.7630 14.8077 14.8077 15.2932 15.2932 k = 0.5000 0.5000 0.1892 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4056 -41.4056 -41.4041 -41.4041 -18.3817 -18.3817 -15.7976 -15.7976 -15.7256 -15.7256 -15.7132 -15.7132 -3.2301 -3.2301 -2.4581 -2.4581 -2.3248 -2.3248 0.3464 0.3464 0.5288 0.5288 1.4275 1.4275 1.7200 1.7200 2.2667 2.2667 2.2701 2.2701 3.3175 3.3175 3.3393 3.3393 3.6299 3.6299 5.9002 5.9002 6.0275 6.0275 6.3459 6.3459 7.2102 7.2102 8.6060 8.6060 13.5414 13.5414 14.6783 14.6783 14.7251 14.7251 15.3591 15.3591 k = 0.5000 0.5000 0.2027 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4056 -41.4056 -41.4042 -41.4042 -18.3812 -18.3812 -15.7929 -15.7929 -15.7252 -15.7252 -15.7129 -15.7129 -3.2372 -3.2372 -2.4646 -2.4646 -2.3404 -2.3404 0.3461 0.3461 0.5290 0.5290 1.3597 1.3597 1.7412 1.7412 2.2527 2.2527 2.2536 2.2536 3.3385 3.3385 3.3610 3.3610 3.6304 3.6304 5.9182 5.9182 6.0403 6.0403 6.3503 6.3503 7.3008 7.3008 8.6060 8.6060 13.5440 13.5440 14.5951 14.5951 14.6438 14.6438 15.4297 15.4297 k = 0.5000 0.5000 0.2162 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8689 -45.8689 -41.4056 -41.4056 -41.4043 -41.4043 -18.3807 -18.3807 -15.7881 -15.7881 -15.7248 -15.7248 -15.7126 -15.7126 -3.2446 -3.2446 -2.4713 -2.4713 -2.3561 -2.3561 0.3458 0.3458 0.5292 0.5292 1.2921 1.2921 1.7628 1.7628 2.2373 2.2373 2.2387 2.2387 3.3596 3.3596 3.3826 3.3826 3.6310 3.6310 5.9364 5.9364 6.0533 6.0533 6.3551 6.3551 7.3920 7.3920 8.6061 8.6061 13.5466 13.5466 14.5137 14.5137 14.5642 14.5642 15.5048 15.5048 k = 0.5000 0.5000 0.2297 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4056 -41.4056 -41.4043 -41.4043 -18.3801 -18.3801 -15.7831 -15.7831 -15.7244 -15.7244 -15.7123 -15.7123 -3.2520 -3.2520 -2.4780 -2.4780 -2.3720 -2.3720 0.3452 0.3452 0.5294 0.5294 1.2254 1.2254 1.7846 1.7846 2.2214 2.2214 2.2250 2.2250 3.3805 3.3805 3.4039 3.4039 3.6316 3.6316 5.9549 5.9549 6.0663 6.0663 6.3604 6.3604 7.4836 7.4836 8.6061 8.6061 13.5494 13.5494 14.4344 14.4344 14.4866 14.4866 15.5843 15.5843 k = 0.5000 0.5000 0.2432 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4056 -41.4056 -41.4044 -41.4044 -18.3796 -18.3796 -15.7782 -15.7782 -15.7240 -15.7240 -15.7120 -15.7120 -3.2596 -3.2596 -2.4849 -2.4849 -2.3878 -2.3878 0.3445 0.3445 0.5297 0.5297 1.1601 1.1601 1.8064 1.8064 2.2059 2.2059 2.2117 2.2117 3.4011 3.4011 3.4249 3.4249 3.6323 3.6323 5.9736 5.9736 6.0793 6.0793 6.3662 6.3662 7.5747 7.5747 8.6062 8.6062 13.5523 13.5523 14.3573 14.3573 14.4112 14.4112 15.6682 15.6682 k = 0.5000 0.5000 0.2568 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4056 -41.4056 -41.4045 -41.4045 -18.3790 -18.3790 -15.7732 -15.7732 -15.7235 -15.7235 -15.7116 -15.7116 -3.2673 -3.2673 -2.4917 -2.4917 -2.4035 -2.4035 0.3435 0.3435 0.5299 0.5299 1.0963 1.0963 1.8281 1.8281 2.1909 2.1909 2.1987 2.1987 3.4214 3.4214 3.4455 3.4455 3.6329 3.6329 5.9922 5.9922 6.0919 6.0919 6.3723 6.3723 7.6647 7.6647 8.6063 8.6063 13.5552 13.5552 14.2829 14.2829 14.3382 14.3382 15.7563 15.7563 k = 0.5000 0.5000 0.2703 ( 4080 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4056 -41.4056 -41.4046 -41.4046 -18.3784 -18.3784 -15.7683 -15.7683 -15.7230 -15.7230 -15.7113 -15.7113 -3.2749 -3.2749 -2.4985 -2.4985 -2.4189 -2.4189 0.3422 0.3422 0.5301 0.5301 1.0350 1.0350 1.8495 1.8495 2.1764 2.1764 2.1862 2.1862 3.4411 3.4411 3.4654 3.4654 3.6335 3.6335 6.0107 6.0107 6.1042 6.1042 6.3789 6.3789 7.7532 7.7532 8.6063 8.6063 13.5582 13.5582 14.2113 14.2113 14.2679 14.2679 15.8484 15.8484 k = 0.5000 0.5000 0.2838 ( 4092 PWs) bands (ev): -77.0418 -77.0418 -45.8690 -45.8690 -41.4056 -41.4056 -41.4047 -41.4047 -18.3779 -18.3779 -15.7635 -15.7635 -15.7225 -15.7225 -15.7110 -15.7110 -3.2824 -3.2824 -2.5052 -2.5052 -2.4340 -2.4340 0.3406 0.3406 0.5303 0.5303 0.9758 0.9758 1.8704 1.8704 2.1626 2.1626 2.1741 2.1741 3.4602 3.4602 3.4846 3.4846 3.6342 3.6342 6.0290 6.0290 6.1158 6.1158 6.3859 6.3859 7.8394 7.8394 8.6063 8.6063 13.5611 13.5611 14.1428 14.1428 14.2005 14.2005 15.9443 15.9443 k = 0.5000 0.5000 0.2973 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4055 -41.4055 -41.4048 -41.4048 -18.3773 -18.3773 -15.7588 -15.7588 -15.7219 -15.7219 -15.7107 -15.7107 -3.2899 -3.2899 -2.5117 -2.5117 -2.4486 -2.4486 0.3385 0.3385 0.5306 0.5306 0.9195 0.9195 1.8908 1.8908 2.1493 2.1493 2.1626 2.1626 3.4785 3.4785 3.5031 3.5031 3.6348 3.6348 6.0470 6.0470 6.1270 6.1270 6.3932 6.3932 7.9229 7.9229 8.6063 8.6063 13.5639 13.5639 14.0775 14.0775 14.1361 14.1361 16.0439 16.0439 k = 0.5000 0.5000 0.3108 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4055 -41.4055 -41.4049 -41.4049 -18.3768 -18.3768 -15.7543 -15.7543 -15.7213 -15.7213 -15.7104 -15.7104 -3.2971 -3.2971 -2.5181 -2.5181 -2.4626 -2.4626 0.3360 0.3360 0.5308 0.5308 0.8663 0.8663 1.9104 1.9104 2.1368 2.1368 2.1516 2.1516 3.4961 3.4961 3.5207 3.5207 3.6355 3.6355 6.0645 6.0645 6.1374 6.1374 6.4009 6.4009 8.0034 8.0034 8.6064 8.6064 13.5666 13.5666 14.0157 14.0157 14.0750 14.0750 16.1466 16.1466 k = 0.5000 0.5000 0.3243 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4055 -41.4055 -41.4049 -41.4049 -18.3763 -18.3763 -15.7500 -15.7500 -15.7207 -15.7207 -15.7101 -15.7101 -3.3041 -3.3041 -2.5242 -2.5242 -2.4761 -2.4761 0.3329 0.3329 0.5310 0.5310 0.8165 0.8165 1.9292 1.9292 2.1251 2.1251 2.1413 2.1413 3.5128 3.5128 3.5375 3.5375 3.6362 3.6362 6.0815 6.0815 6.1471 6.1471 6.4089 6.4089 8.0804 8.0804 8.6065 8.6065 13.5692 13.5692 13.9576 13.9576 14.0173 14.0173 16.2522 16.2522 k = 0.5000 0.5000 0.3378 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4055 -41.4055 -41.4050 -41.4050 -18.3758 -18.3758 -15.7460 -15.7460 -15.7199 -15.7199 -15.7098 -15.7098 -3.3109 -3.3109 -2.5300 -2.5300 -2.4888 -2.4888 0.3292 0.3292 0.5311 0.5311 0.7706 0.7706 1.9470 1.9470 2.1143 2.1143 2.1317 2.1317 3.5285 3.5285 3.5532 3.5532 3.6369 3.6369 6.0979 6.0979 6.1561 6.1561 6.4170 6.4170 8.1534 8.1534 8.6065 8.6065 13.5714 13.5714 13.9034 13.9034 13.9632 13.9632 16.3600 16.3600 k = 0.5000 0.5000 0.3514 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8691 -45.8691 -41.4055 -41.4055 -41.4051 -41.4051 -18.3753 -18.3753 -15.7423 -15.7423 -15.7191 -15.7191 -15.7095 -15.7095 -3.3173 -3.3173 -2.5356 -2.5356 -2.5007 -2.5007 0.3248 0.3248 0.5313 0.5313 0.7287 0.7287 1.9637 1.9637 2.1043 2.1043 2.1227 2.1227 3.5431 3.5431 3.5680 3.5680 3.6377 3.6377 6.1135 6.1135 6.1642 6.1642 6.4251 6.4251 8.2220 8.2220 8.6066 8.6066 13.5731 13.5731 13.8535 13.8535 13.9129 13.9129 16.4657 16.4657 k = 0.5000 0.5000 0.3649 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4052 -41.4052 -18.3749 -18.3749 -15.7390 -15.7390 -15.7181 -15.7181 -15.7093 -15.7093 -3.3233 -3.3233 -2.5408 -2.5408 -2.5118 -2.5118 0.3197 0.3197 0.5315 0.5315 0.6909 0.6909 1.9791 1.9791 2.0953 2.0953 2.1144 2.1144 3.5565 3.5565 3.5816 3.5816 3.6386 3.6386 6.1281 6.1281 6.1715 6.1715 6.4331 6.4331 8.2860 8.2860 8.6067 8.6067 13.5742 13.5742 13.8080 13.8080 13.8664 13.8664 16.4269 16.4269 k = 0.5000 0.5000 0.3784 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4052 -41.4052 -18.3745 -18.3745 -15.7362 -15.7362 -15.7170 -15.7170 -15.7091 -15.7091 -3.3289 -3.3289 -2.5456 -2.5456 -2.5220 -2.5220 0.3138 0.3138 0.5317 0.5317 0.6575 0.6575 1.9931 1.9931 2.0873 2.0873 2.1068 2.1068 3.5687 3.5687 3.5940 3.5940 3.6394 3.6394 6.1417 6.1417 6.1780 6.1780 6.4409 6.4409 8.3448 8.3448 8.6067 8.6067 13.5744 13.5744 13.7674 13.7674 13.8239 13.8239 16.3917 16.3917 k = 0.5000 0.5000 0.3919 ( 4100 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4053 -41.4053 -18.3741 -18.3741 -15.7338 -15.7338 -15.7157 -15.7157 -15.7088 -15.7088 -3.3340 -3.3340 -2.5500 -2.5500 -2.5313 -2.5313 0.3074 0.3074 0.5319 0.5319 0.6285 0.6285 2.0054 2.0054 2.0804 2.0804 2.1000 2.1000 3.5796 3.5796 3.6053 3.6053 3.6404 3.6404 6.1542 6.1542 6.1837 6.1837 6.4483 6.4483 8.3984 8.3984 8.6068 8.6068 13.5733 13.5733 13.7321 13.7321 13.7855 13.7855 16.3600 16.3600 k = 0.5000 0.5000 0.4054 ( 4104 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4053 -41.4053 -18.3738 -18.3738 -15.7319 -15.7319 -15.7143 -15.7143 -15.7087 -15.7087 -3.3386 -3.3386 -2.5539 -2.5539 -2.5396 -2.5396 0.3004 0.3004 0.5321 0.5321 0.6038 0.6038 2.0159 2.0159 2.0750 2.0750 2.0939 2.0939 3.5891 3.5891 3.6153 3.6153 3.6415 3.6415 6.1655 6.1655 6.1887 6.1887 6.4552 6.4552 8.4462 8.4462 8.6068 8.6068 13.5705 13.5705 13.7027 13.7027 13.7514 13.7514 16.3318 16.3318 k = 0.5000 0.5000 0.4189 ( 4112 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4054 -41.4054 -18.3735 -18.3735 -15.7304 -15.7304 -15.7130 -15.7130 -15.7085 -15.7085 -3.3427 -3.3427 -2.5574 -2.5574 -2.5468 -2.5468 0.2933 0.2933 0.5322 0.5322 0.5832 0.5832 2.0241 2.0241 2.0712 2.0712 2.0887 2.0887 3.5971 3.5971 3.6240 3.6240 3.6427 3.6427 6.1755 6.1755 6.1929 6.1929 6.4615 6.4615 8.4882 8.4882 8.6069 8.6069 13.5655 13.5655 13.6796 13.6796 13.7216 13.7216 16.3073 16.3073 k = 0.5000 0.5000 0.4324 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4054 -41.4054 -18.3732 -18.3732 -15.7293 -15.7293 -15.7116 -15.7116 -15.7083 -15.7083 -3.3462 -3.3462 -2.5604 -2.5604 -2.5530 -2.5530 0.2865 0.2865 0.5324 0.5324 0.5668 0.5668 2.0299 2.0299 2.0694 2.0694 2.0842 2.0842 3.6038 3.6038 3.6315 3.6315 3.6440 3.6440 6.1841 6.1841 6.1964 6.1964 6.4671 6.4671 8.5241 8.5241 8.6070 8.6070 13.5583 13.5583 13.6628 13.6628 13.6963 13.6963 16.2866 16.2866 k = 0.5000 0.5000 0.4459 ( 4096 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3730 -18.3730 -15.7285 -15.7285 -15.7104 -15.7104 -15.7082 -15.7082 -3.3491 -3.3491 -2.5628 -2.5628 -2.5581 -2.5581 0.2801 0.2801 0.5325 0.5325 0.5538 0.5538 2.0331 2.0331 2.0695 2.0695 2.0805 2.0805 3.6089 3.6089 3.6377 3.6377 3.6454 3.6454 6.1912 6.1912 6.1993 6.1993 6.4718 6.4718 8.5538 8.5538 8.6070 8.6070 13.5499 13.5499 13.6517 13.6517 13.6754 13.6754 16.2695 16.2695 k = 0.5000 0.5000 0.4595 ( 4088 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3728 -18.3728 -15.7278 -15.7278 -15.7094 -15.7094 -15.7081 -15.7081 -3.3514 -3.3514 -2.5648 -2.5648 -2.5621 -2.5621 0.2747 0.2747 0.5326 0.5326 0.5442 0.5442 2.0343 2.0343 2.0708 2.0708 2.0777 2.0777 3.6127 3.6127 3.6425 3.6425 3.6467 3.6467 6.1969 6.1969 6.2016 6.2016 6.4756 6.4756 8.5770 8.5770 8.6070 8.6070 13.5415 13.5415 13.6448 13.6448 13.6592 13.6592 16.2562 16.2562 k = 0.5000 0.5000 0.4730 ( 4072 PWs) bands (ev): -77.0418 -77.0418 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3727 -18.3727 -15.7274 -15.7274 -15.7086 -15.7086 -15.7080 -15.7080 -3.3530 -3.3530 -2.5661 -2.5661 -2.5650 -2.5650 0.2706 0.2706 0.5326 0.5326 0.5376 0.5376 2.0346 2.0346 2.0724 2.0724 2.0757 2.0757 3.6153 3.6153 3.6459 3.6459 3.6478 3.6478 6.2010 6.2010 6.2032 6.2032 6.4785 6.4785 8.5937 8.5937 8.6072 8.6072 13.5346 13.5346 13.6408 13.6408 13.6475 13.6475 16.2467 16.2467 k = 0.5000 0.5000 0.4865 ( 4032 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3726 -18.3726 -15.7272 -15.7272 -15.7081 -15.7081 -15.7080 -15.7080 -3.3540 -3.3540 -2.5669 -2.5669 -2.5666 -2.5666 0.2680 0.2680 0.5327 0.5327 0.5340 0.5340 2.0346 2.0346 2.0737 2.0737 2.0746 2.0746 3.6169 3.6169 3.6481 3.6481 3.6486 3.6486 6.2037 6.2037 6.2043 6.2043 6.4803 6.4803 8.6039 8.6039 8.6072 8.6072 13.5301 13.5301 13.6388 13.6388 13.6405 13.6405 16.2410 16.2410 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -77.0417 -77.0417 -45.8692 -45.8692 -41.4055 -41.4055 -41.4055 -41.4055 -18.3726 -18.3726 -15.7271 -15.7271 -15.7079 -15.7079 -15.7079 -15.7079 -3.3543 -3.3543 -2.5672 -2.5672 -2.5672 -2.5672 0.2672 0.2672 0.5327 0.5327 0.5327 0.5327 2.0345 2.0345 2.0742 2.0742 2.0742 2.0742 3.6173 3.6173 3.6488 3.6488 3.6488 3.6488 6.2046 6.2046 6.2046 6.2046 6.4809 6.4809 8.6072 8.6072 8.6072 8.6072 13.5285 13.5285 13.6382 13.6382 13.6382 13.6382 16.2391 16.2391 Writing output data file RbPdF3.save init_run : 0.37s CPU 0.60s WALL ( 1 calls) electrons : 122.68s CPU 125.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 122.66s CPU 125.06s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 285 calls) cegterg : 112.05s CPU 113.72s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 63.52s CPU 65.27s WALL ( 5852 calls) s_psi : 3.05s CPU 3.01s WALL ( 5852 calls) g_psi : 0.15s CPU 0.18s WALL ( 5209 calls) cdiaghg : 39.99s CPU 39.61s WALL ( 5494 calls) cegterg:over : 4.96s CPU 4.91s WALL ( 5209 calls) cegterg:upda : 3.64s CPU 4.06s WALL ( 5209 calls) cegterg:last : 2.33s CPU 2.48s WALL ( 928 calls) cdiaghg:chol : 2.15s CPU 2.22s WALL ( 5494 calls) cdiaghg:inve : 1.55s CPU 1.51s WALL ( 5494 calls) cdiaghg:para : 2.29s CPU 2.39s WALL ( 10988 calls) Called by h_psi: h_psi:vloc : 56.38s CPU 58.07s WALL ( 5852 calls) h_psi:vnl : 6.99s CPU 7.01s WALL ( 5852 calls) add_vuspsi : 3.26s CPU 3.43s WALL ( 5852 calls) General routines calbec : 3.71s CPU 3.57s WALL ( 5852 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 52.02s CPU 53.65s WALL ( 650600 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.20s WALL ( 570 calls) Parallel routines fft_scatter : 20.48s CPU 21.00s WALL ( 650623 calls) PWSCF : 2m18.44s CPU 2m37.02s WALL This run was terminated on: 17:51:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=