Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:52 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: ./Ca3PCl3.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 69 46 13 2627 1440 225 Max 71 47 14 2630 1459 230 Sum 2521 1685 489 94617 52179 8217 bravais-lattice index = 14 lattice parameter (alat) = 10.7393 a.u. unit-cell volume = 1238.5954 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.739313 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Cl 7.00 35.45300 Cl( 1.00) Ca 10.00 40.07800 Ca( 1.00) P 5.00 30.97380 P( 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= 218 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045872 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045872 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045872 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045872 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045872 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045872 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045872 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045872 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045872 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045872 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045872 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045872 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045872 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045872 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045872 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045872 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045872 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045872 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045872 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045872 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045872 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045872 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045872 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045872 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045872 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045872 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045872 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045872 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045872 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045872 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045872 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045872 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045872 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045872 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045872 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045872 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045872 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045872 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045872 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045872 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045872 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045872 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045872 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045872 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045872 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045872 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045872 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045872 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045872 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045872 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045872 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045872 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045872 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045872 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045872 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045872 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045872 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045872 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045872 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045872 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045872 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045872 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045872 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045872 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045872 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045872 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045872 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045872 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045872 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045872 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045872 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045872 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045872 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045872 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045872 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045872 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045872 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045872 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045872 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045872 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045872 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045872 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045872 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045872 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045872 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045872 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045872 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045872 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045872 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045872 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045872 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045872 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045872 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872 k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872 k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872 k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872 k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872 k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872 k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872 k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872 k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872 k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872 k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872 k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872 k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872 k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872 k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872 k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872 k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872 k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872 k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872 k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872 k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872 k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872 k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872 k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872 k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872 k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872 k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872 k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872 k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872 k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872 k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872 k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872 k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872 k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872 k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872 k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872 k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872 k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872 k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872 k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872 k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872 k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872 k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872 k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872 k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872 k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872 k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872 k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872 k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872 k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872 k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872 k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872 k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872 k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872 k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872 k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872 k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872 k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872 k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872 k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872 k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872 k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872 k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872 k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872 k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872 k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872 k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872 k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872 k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872 k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872 k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872 k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872 k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872 k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872 k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872 k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872 k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872 k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872 k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872 k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872 k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872 k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872 k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872 k( 189) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 190) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872 k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872 k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872 k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872 k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872 k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872 k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872 k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872 k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872 k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872 k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872 k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872 k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872 k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872 k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872 k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872 k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872 k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872 k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872 k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872 k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872 k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872 k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872 k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872 k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872 k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872 k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045872 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045872 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045872 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045872 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045872 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045872 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045872 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045872 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045872 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045872 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045872 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045872 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045872 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045872 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045872 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045872 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045872 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045872 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045872 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045872 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045872 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045872 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045872 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045872 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045872 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045872 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045872 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045872 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045872 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045872 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045872 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045872 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045872 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045872 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045872 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045872 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045872 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045872 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045872 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045872 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045872 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045872 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0045872 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0045872 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045872 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0045872 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045872 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045872 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045872 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045872 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045872 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045872 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045872 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045872 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045872 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045872 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045872 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045872 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045872 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045872 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045872 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045872 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045872 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045872 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045872 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0045872 k( 72) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0045872 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045872 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045872 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045872 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045872 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045872 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045872 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045872 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045872 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045872 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045872 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045872 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045872 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0045872 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045872 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045872 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045872 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045872 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045872 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045872 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0045872 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045872 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045872 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045872 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045872 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045872 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045872 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872 k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872 k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872 k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872 k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872 k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872 k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872 k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872 k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872 k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872 k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872 k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872 k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872 k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872 k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872 k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872 k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872 k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872 k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872 k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872 k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872 k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872 k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872 k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872 k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872 k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872 k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872 k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872 k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872 k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872 k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872 k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872 k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872 k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872 k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872 k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872 k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872 k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872 k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872 k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872 k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872 k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872 k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872 k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872 k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872 k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872 k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872 k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872 k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872 k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872 k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872 k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872 k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872 k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872 k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872 k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872 k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872 k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872 k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872 k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872 k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872 k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872 k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872 k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872 k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872 k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872 k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872 k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872 k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872 k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872 k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872 k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872 k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872 k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872 k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872 k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872 k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872 k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872 k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872 k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872 k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872 k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872 k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 190) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872 k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872 k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872 k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872 k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872 k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872 k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872 k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872 k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872 k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872 k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872 k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872 k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872 k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872 k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872 k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872 k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872 k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872 k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872 k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872 k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872 k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872 k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872 k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872 k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872 k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872 k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 Dense grid: 94617 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 52179 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 378, 68) NL pseudopotentials 0.69 Mb ( 189, 238) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2627) G-vector shells 0.00 Mb ( 537) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.57 Mb ( 378, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.49 Mb ( 238, 2, 68) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Ca3PCl3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6.2 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 9.2 secs Computing kpt #: 3 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 12.2 secs Computing kpt #: 4 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 15.1 secs Computing kpt #: 5 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 18.1 secs Computing kpt #: 6 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 21.1 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.9 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.8 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.7 secs Computing kpt #: 10 total cpu time spent up to now is 32.0 secs Computing kpt #: 11 total cpu time spent up to now is 34.4 secs Computing kpt #: 12 total cpu time spent up to now is 36.8 secs Computing kpt #: 13 total cpu time spent up to now is 39.1 secs Computing kpt #: 14 total cpu time spent up to now is 41.3 secs Computing kpt #: 15 total cpu time spent up to now is 43.7 secs Computing kpt #: 16 total cpu time spent up to now is 46.0 secs Computing kpt #: 17 total cpu time spent up to now is 48.3 secs Computing kpt #: 18 total cpu time spent up to now is 50.4 secs Computing kpt #: 19 total cpu time spent up to now is 52.3 secs Computing kpt #: 20 total cpu time spent up to now is 54.2 secs Computing kpt #: 21 total cpu time spent up to now is 56.2 secs Computing kpt #: 22 total cpu time spent up to now is 58.4 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.2 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.9 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 66.7 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.5 secs Computing kpt #: 27 total cpu time spent up to now is 71.2 secs Computing kpt #: 28 total cpu time spent up to now is 72.6 secs Computing kpt #: 29 total cpu time spent up to now is 74.1 secs Computing kpt #: 30 total cpu time spent up to now is 75.6 secs Computing kpt #: 31 total cpu time spent up to now is 77.1 secs Computing kpt #: 32 total cpu time spent up to now is 78.7 secs Computing kpt #: 33 total cpu time spent up to now is 80.6 secs Computing kpt #: 34 total cpu time spent up to now is 82.7 secs Computing kpt #: 35 total cpu time spent up to now is 84.5 secs Computing kpt #: 36 total cpu time spent up to now is 86.3 secs Computing kpt #: 37 total cpu time spent up to now is 88.2 secs Computing kpt #: 38 total cpu time spent up to now is 90.1 secs Computing kpt #: 39 total cpu time spent up to now is 91.8 secs Computing kpt #: 40 total cpu time spent up to now is 93.5 secs Computing kpt #: 41 total cpu time spent up to now is 95.3 secs Computing kpt #: 42 total cpu time spent up to now is 96.8 secs Computing kpt #: 43 total cpu time spent up to now is 98.3 secs Computing kpt #: 44 total cpu time spent up to now is 99.7 secs Computing kpt #: 45 total cpu time spent up to now is 101.4 secs Computing kpt #: 46 total cpu time spent up to now is 102.9 secs Computing kpt #: 47 total cpu time spent up to now is 104.4 secs Computing kpt #: 48 total cpu time spent up to now is 106.1 secs Computing kpt #: 49 total cpu time spent up to now is 107.7 secs Computing kpt #: 50 total cpu time spent up to now is 109.3 secs Computing kpt #: 51 total cpu time spent up to now is 110.8 secs Computing kpt #: 52 total cpu time spent up to now is 112.5 secs Computing kpt #: 53 total cpu time spent up to now is 114.1 secs Computing kpt #: 54 total cpu time spent up to now is 116.2 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.0 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.7 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.5 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.3 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.1 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.8 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 135.6 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.4 secs Computing kpt #: 63 total cpu time spent up to now is 139.9 secs Computing kpt #: 64 total cpu time spent up to now is 141.6 secs Computing kpt #: 65 total cpu time spent up to now is 143.4 secs Computing kpt #: 66 total cpu time spent up to now is 144.8 secs Computing kpt #: 67 total cpu time spent up to now is 146.3 secs Computing kpt #: 68 total cpu time spent up to now is 147.8 secs Computing kpt #: 69 total cpu time spent up to now is 149.3 secs Computing kpt #: 70 total cpu time spent up to now is 151.0 secs Computing kpt #: 71 total cpu time spent up to now is 152.8 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.6 secs Computing kpt #: 73 total cpu time spent up to now is 158.0 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.8 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.6 secs Computing kpt #: 76 total cpu time spent up to now is 166.5 secs Computing kpt #: 77 total cpu time spent up to now is 168.9 secs Computing kpt #: 78 total cpu time spent up to now is 171.4 secs Computing kpt #: 79 total cpu time spent up to now is 173.6 secs Computing kpt #: 80 total cpu time spent up to now is 175.7 secs Computing kpt #: 81 total cpu time spent up to now is 178.3 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.1 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.9 secs Computing kpt #: 84 total cpu time spent up to now is 186.6 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.4 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.2 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.0 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.9 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.7 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 91 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 206.6 secs Computing kpt #: 92 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 209.6 secs Computing kpt #: 93 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 212.6 secs Computing kpt #: 94 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 215.6 secs Computing kpt #: 95 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 218.5 secs Computing kpt #: 96 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 221.5 secs Computing kpt #: 97 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 224.5 secs Computing kpt #: 98 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 227.5 secs Computing kpt #: 99 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 230.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.3 secs Computing kpt #: 101 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 236.3 secs Computing kpt #: 102 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 239.3 secs Computing kpt #: 103 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 242.2 secs Computing kpt #: 104 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 245.2 secs Computing kpt #: 105 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 248.2 secs Computing kpt #: 106 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 251.2 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.1 secs Computing kpt #: 108 total cpu time spent up to now is 257.0 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.9 secs Computing kpt #: 110 total cpu time spent up to now is 262.6 secs Computing kpt #: 111 total cpu time spent up to now is 264.9 secs Computing kpt #: 112 total cpu time spent up to now is 267.1 secs Computing kpt #: 113 total cpu time spent up to now is 269.2 secs Computing kpt #: 114 total cpu time spent up to now is 271.2 secs Computing kpt #: 115 total cpu time spent up to now is 273.2 secs Computing kpt #: 116 total cpu time spent up to now is 275.1 secs Computing kpt #: 117 total cpu time spent up to now is 277.1 secs Computing kpt #: 118 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 280.0 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.0 secs Computing kpt #: 120 total cpu time spent up to now is 285.8 secs Computing kpt #: 121 total cpu time spent up to now is 287.9 secs Computing kpt #: 122 total cpu time spent up to now is 289.9 secs Computing kpt #: 123 total cpu time spent up to now is 291.9 secs Computing kpt #: 124 total cpu time spent up to now is 293.8 secs Computing kpt #: 125 total cpu time spent up to now is 295.8 secs Computing kpt #: 126 total cpu time spent up to now is 297.6 secs Computing kpt #: 127 total cpu time spent up to now is 299.4 secs Computing kpt #: 128 total cpu time spent up to now is 301.2 secs Computing kpt #: 129 total cpu time spent up to now is 303.2 secs Computing kpt #: 130 total cpu time spent up to now is 305.2 secs Computing kpt #: 131 total cpu time spent up to now is 307.2 secs Computing kpt #: 132 total cpu time spent up to now is 309.2 secs Computing kpt #: 133 total cpu time spent up to now is 311.2 secs Computing kpt #: 134 total cpu time spent up to now is 313.2 secs Computing kpt #: 135 total cpu time spent up to now is 315.5 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.3 secs Computing kpt #: 137 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 321.3 secs Computing kpt #: 138 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 324.3 secs Computing kpt #: 139 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 327.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.1 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 332.9 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 335.7 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.5 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 344.1 secs Computing kpt #: 146 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 347.1 secs Computing kpt #: 147 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 350.2 secs Computing kpt #: 148 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 353.1 secs Computing kpt #: 149 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 356.1 secs Computing kpt #: 150 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 359.1 secs Computing kpt #: 151 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 362.6 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.5 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.3 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.1 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.9 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 379.5 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.3 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 385.1 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.9 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.7 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.4 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 396.2 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 399.0 secs Computing kpt #: 165 total cpu time spent up to now is 401.6 secs Computing kpt #: 166 total cpu time spent up to now is 403.9 secs Computing kpt #: 167 total cpu time spent up to now is 406.2 secs Computing kpt #: 168 total cpu time spent up to now is 408.7 secs Computing kpt #: 169 total cpu time spent up to now is 411.0 secs Computing kpt #: 170 total cpu time spent up to now is 413.2 secs Computing kpt #: 171 total cpu time spent up to now is 415.5 secs Computing kpt #: 172 total cpu time spent up to now is 417.9 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.7 secs Computing kpt #: 174 total cpu time spent up to now is 423.2 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.1 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.1 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.0 secs Computing kpt #: 178 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 435.0 secs Computing kpt #: 179 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 438.0 secs Computing kpt #: 180 total cpu time spent up to now is 439.4 secs Computing kpt #: 181 total cpu time spent up to now is 441.0 secs Computing kpt #: 182 total cpu time spent up to now is 442.9 secs Computing kpt #: 183 total cpu time spent up to now is 444.4 secs Computing kpt #: 184 total cpu time spent up to now is 446.0 secs Computing kpt #: 185 total cpu time spent up to now is 447.4 secs Computing kpt #: 186 total cpu time spent up to now is 448.9 secs Computing kpt #: 187 total cpu time spent up to now is 450.4 secs Computing kpt #: 188 total cpu time spent up to now is 451.8 secs Computing kpt #: 189 total cpu time spent up to now is 453.3 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.1 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.9 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 461.7 secs Computing kpt #: 193 total cpu time spent up to now is 464.5 secs Computing kpt #: 194 total cpu time spent up to now is 467.2 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.1 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 473.2 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 476.3 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.3 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.7 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.6 secs Computing kpt #: 201 total cpu time spent up to now is 488.2 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.0 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.8 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.6 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.3 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 502.1 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 504.8 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.6 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.3 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.1 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.9 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.7 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 521.5 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.3 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.1 secs Computing kpt #: 216 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 530.1 secs Computing kpt #: 217 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 533.1 secs Computing kpt #: 218 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 536.1 secs ethr = 1.79E-08, avg # of iterations = 94.1 total cpu time spent up to now is 536.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -35.0646 -35.0646 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3704 -16.3704 -16.3309 -16.3309 -16.0303 -16.0303 -16.0303 -16.0303 -16.0159 -16.0159 -15.9269 -15.9269 -15.8696 -15.8696 -15.8696 -15.8696 -10.3923 -10.3923 -10.1725 -10.1725 -10.1725 -10.1725 -2.9481 -2.9481 0.9076 0.9076 0.9076 0.9076 0.9242 0.9242 1.4567 1.4567 1.4567 1.4567 1.5181 1.5181 2.1210 2.1210 2.2039 2.2039 2.2039 2.2039 5.3717 5.3717 5.4109 5.4109 5.4109 5.4109 7.2165 7.2165 7.2168 7.2168 7.2168 7.2168 8.2556 8.2556 9.2486 9.2486 9.2489 9.2497 k = 0.0000 0.0179-0.0000 ( 6611 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3704 -16.3704 -16.3309 -16.3309 -16.0303 -16.0303 -16.0303 -16.0303 -16.0159 -16.0159 -15.9269 -15.9269 -15.8696 -15.8696 -15.8696 -15.8696 -10.3920 -10.3920 -10.1725 -10.1725 -10.1722 -10.1722 -2.9477 -2.9477 0.9075 0.9075 0.9079 0.9079 0.9243 0.9243 1.4555 1.4555 1.4564 1.4564 1.5173 1.5173 2.1203 2.1203 2.2029 2.2029 2.2034 2.2034 5.3683 5.3683 5.4063 5.4063 5.4088 5.4088 7.2174 7.2174 7.2211 7.2211 7.2214 7.2214 8.2599 8.2599 9.2486 9.2490 9.2514 9.2522 k = 0.0000 0.0357-0.0000 ( 6575 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3703 -16.3703 -16.3310 -16.3310 -16.0303 -16.0303 -16.0303 -16.0303 -16.0159 -16.0159 -15.9268 -15.9268 -15.8698 -15.8698 -15.8696 -15.8696 -10.3910 -10.3910 -10.1727 -10.1727 -10.1714 -10.1714 -2.9465 -2.9465 0.9072 0.9072 0.9090 0.9090 0.9248 0.9248 1.4519 1.4519 1.4553 1.4553 1.5150 1.5150 2.1182 2.1182 2.1998 2.1998 2.2020 2.2020 5.3572 5.3572 5.3939 5.3939 5.4028 5.4028 7.2194 7.2194 7.2348 7.2348 7.2350 7.2350 8.2726 8.2726 9.2467 9.2475 9.2587 9.2607 k = 0.0000 0.0536-0.0000 ( 6567 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3705 -16.3705 -16.3702 -16.3702 -16.3312 -16.3312 -16.0304 -16.0304 -16.0302 -16.0302 -16.0161 -16.0161 -15.9266 -15.9266 -15.8701 -15.8701 -15.8697 -15.8697 -10.3893 -10.3893 -10.1730 -10.1730 -10.1700 -10.1700 -2.9444 -2.9444 0.9065 0.9065 0.9109 0.9109 0.9258 0.9258 1.4456 1.4456 1.4537 1.4537 1.5115 1.5115 2.1148 2.1148 2.1949 2.1949 2.1996 2.1996 5.3355 5.3355 5.3774 5.3774 5.3930 5.3930 7.2228 7.2228 7.2571 7.2571 7.2573 7.2573 8.2931 8.2931 9.2414 9.2453 9.2621 9.2656 k = 0.0000 0.0714-0.0000 ( 6551 PWs) bands (ev): -35.0644 -35.0644 -35.0535 -35.0535 -35.0533 -35.0533 -16.3706 -16.3706 -16.3700 -16.3700 -16.3315 -16.3315 -16.0305 -16.0305 -16.0302 -16.0302 -16.0162 -16.0162 -15.9264 -15.9264 -15.8705 -15.8705 -15.8698 -15.8698 -10.3870 -10.3870 -10.1734 -10.1734 -10.1681 -10.1681 -2.9416 -2.9416 0.9051 0.9051 0.9134 0.9134 0.9276 0.9276 1.4366 1.4366 1.4513 1.4513 1.5069 1.5069 2.1099 2.1099 2.1882 2.1882 2.1964 2.1964 5.3012 5.3012 5.3598 5.3598 5.3798 5.3798 7.2274 7.2274 7.2877 7.2877 7.2880 7.2880 8.3204 8.3204 9.2326 9.2327 9.2650 9.2652 k = 0.0000 0.0893-0.0000 ( 6547 PWs) bands (ev): -35.0644 -35.0644 -35.0536 -35.0536 -35.0533 -35.0533 -16.3707 -16.3707 -16.3698 -16.3698 -16.3319 -16.3319 -16.0307 -16.0307 -16.0302 -16.0302 -16.0165 -16.0165 -15.9262 -15.9262 -15.8711 -15.8711 -15.8699 -15.8699 -10.3840 -10.3840 -10.1739 -10.1739 -10.1658 -10.1658 -2.9380 -2.9380 0.9029 0.9029 0.9167 0.9167 0.9304 0.9304 1.4248 1.4248 1.4482 1.4482 1.5017 1.5017 2.1035 2.1035 2.1799 2.1799 2.1923 2.1923 5.2559 5.2559 5.3414 5.3414 5.3635 5.3635 7.2333 7.2333 7.3263 7.3263 7.3266 7.3266 8.3535 8.3535 9.2210 9.2210 9.2693 9.2694 k = 0.0000 0.1071-0.0000 ( 6535 PWs) bands (ev): -35.0643 -35.0643 -35.0536 -35.0536 -35.0533 -35.0533 -16.3709 -16.3709 -16.3695 -16.3695 -16.3324 -16.3324 -16.0309 -16.0309 -16.0302 -16.0302 -16.0167 -16.0167 -15.9259 -15.9259 -15.8719 -15.8719 -15.8700 -15.8700 -10.3805 -10.3805 -10.1745 -10.1745 -10.1630 -10.1630 -2.9336 -2.9336 0.9001 0.9001 0.9207 0.9207 0.9341 0.9341 1.4102 1.4102 1.4445 1.4445 1.4959 1.4959 2.0957 2.0957 2.1704 2.1704 2.1875 2.1875 5.2021 5.2021 5.3214 5.3214 5.3447 5.3447 7.2406 7.2406 7.3722 7.3722 7.3726 7.3726 8.3910 8.3910 9.2069 9.2069 9.2744 9.2745 k = 0.0000 0.1250-0.0000 ( 6527 PWs) bands (ev): -35.0642 -35.0642 -35.0537 -35.0537 -35.0533 -35.0533 -16.3711 -16.3711 -16.3693 -16.3693 -16.3329 -16.3329 -16.0311 -16.0311 -16.0302 -16.0302 -16.0170 -16.0170 -15.9256 -15.9256 -15.8727 -15.8727 -15.8702 -15.8702 -10.3763 -10.3763 -10.1753 -10.1753 -10.1597 -10.1597 -2.9287 -2.9287 0.8966 0.8966 0.9253 0.9253 0.9388 0.9388 1.3929 1.3929 1.4401 1.4401 1.4898 1.4898 2.0864 2.0864 2.1598 2.1598 2.1819 2.1819 5.1415 5.1415 5.3000 5.3000 5.3238 5.3238 7.2490 7.2490 7.4249 7.4249 7.4253 7.4253 8.4320 8.4320 9.1904 9.1904 9.2805 9.2805 k = 0.0000 0.1429-0.0000 ( 6547 PWs) bands (ev): -35.0641 -35.0641 -35.0538 -35.0538 -35.0533 -35.0533 -16.3714 -16.3714 -16.3690 -16.3690 -16.3335 -16.3335 -16.0314 -16.0314 -16.0303 -16.0303 -16.0174 -16.0174 -15.9252 -15.9252 -15.8737 -15.8737 -15.8705 -15.8705 -10.3717 -10.3717 -10.1762 -10.1762 -10.1561 -10.1561 -2.9231 -2.9231 0.8926 0.8926 0.9306 0.9306 0.9443 0.9443 1.3732 1.3732 1.4350 1.4350 1.4832 1.4832 2.0755 2.0755 2.1486 2.1486 2.1757 2.1757 5.0758 5.0758 5.2772 5.2772 5.3014 5.3014 7.2584 7.2584 7.4837 7.4837 7.4843 7.4843 8.4752 8.4752 9.1718 9.1718 9.2873 9.2874 k = 0.0000 0.1607-0.0000 ( 6531 PWs) bands (ev): -35.0639 -35.0639 -35.0540 -35.0540 -35.0533 -35.0533 -16.3716 -16.3716 -16.3686 -16.3686 -16.3341 -16.3341 -16.0317 -16.0317 -16.0303 -16.0303 -16.0178 -16.0178 -15.9248 -15.9248 -15.8746 -15.8746 -15.8707 -15.8707 -10.3665 -10.3665 -10.1772 -10.1772 -10.1521 -10.1521 -2.9170 -2.9170 0.8882 0.8882 0.9365 0.9365 0.9506 0.9506 1.3515 1.3515 1.4292 1.4292 1.4763 1.4763 2.0631 2.0631 2.1371 2.1371 2.1690 2.1690 5.0063 5.0063 5.2535 5.2535 5.2779 5.2779 7.2690 7.2690 7.5481 7.5481 7.5489 7.5489 8.5200 8.5200 9.1513 9.1513 9.2950 9.2950 k = 0.0000 0.1786-0.0000 ( 6539 PWs) bands (ev): -35.0638 -35.0638 -35.0541 -35.0541 -35.0533 -35.0533 -16.3720 -16.3720 -16.3683 -16.3683 -16.3349 -16.3349 -16.0320 -16.0320 -16.0304 -16.0304 -16.0182 -16.0182 -15.9244 -15.9244 -15.8758 -15.8758 -15.8709 -15.8709 -10.3609 -10.3609 -10.1784 -10.1784 -10.1478 -10.1478 -2.9105 -2.9105 0.8835 0.8835 0.9430 0.9430 0.9577 0.9577 1.3282 1.3282 1.4227 1.4227 1.4689 1.4689 2.0492 2.0492 2.1254 2.1254 2.1618 2.1618 4.9344 4.9344 5.2292 5.2292 5.2538 5.2538 7.2806 7.2806 7.6175 7.6175 7.6184 7.6184 8.5657 8.5657 9.1292 9.1292 9.3033 9.3033 k = 0.0000 0.1964-0.0000 ( 6527 PWs) bands (ev): -35.0636 -35.0636 -35.0542 -35.0542 -35.0533 -35.0533 -16.3723 -16.3723 -16.3678 -16.3678 -16.3356 -16.3356 -16.0324 -16.0324 -16.0304 -16.0304 -16.0186 -16.0186 -15.9238 -15.9238 -15.8770 -15.8770 -15.8712 -15.8712 -10.3549 -10.3549 -10.1797 -10.1797 -10.1433 -10.1433 -2.9036 -2.9036 0.8786 0.8786 0.9500 0.9500 0.9655 0.9655 1.3037 1.3037 1.4156 1.4156 1.4610 1.4610 2.0340 2.0340 2.1139 2.1139 2.1543 2.1543 4.8612 4.8612 5.2047 5.2047 5.2294 5.2294 7.2930 7.2930 7.6914 7.6914 7.6925 7.6925 8.6118 8.6118 9.1056 9.1056 9.3122 9.3122 k = 0.0000 0.2143-0.0000 ( 6527 PWs) bands (ev): -35.0634 -35.0634 -35.0544 -35.0544 -35.0533 -35.0533 -16.3726 -16.3726 -16.3674 -16.3674 -16.3365 -16.3365 -16.0327 -16.0327 -16.0305 -16.0305 -16.0190 -16.0190 -15.9233 -15.9233 -15.8783 -15.8783 -15.8715 -15.8715 -10.3485 -10.3485 -10.1812 -10.1812 -10.1386 -10.1386 -2.8964 -2.8964 0.8736 0.8736 0.9576 0.9576 0.9740 0.9740 1.2783 1.2783 1.4078 1.4078 1.4527 1.4527 2.0177 2.0177 2.1026 2.1026 2.1465 2.1465 4.7876 4.7876 5.1803 5.1803 5.2051 5.2051 7.3063 7.3063 7.7691 7.7691 7.7705 7.7705 8.6580 8.6580 9.0808 9.0808 9.3218 9.3218 k = 0.0000 0.2321-0.0000 ( 6543 PWs) bands (ev): -35.0633 -35.0633 -35.0546 -35.0546 -35.0533 -35.0533 -16.3729 -16.3729 -16.3669 -16.3669 -16.3374 -16.3374 -16.0331 -16.0331 -16.0306 -16.0306 -16.0194 -16.0194 -15.9227 -15.9227 -15.8797 -15.8797 -15.8718 -15.8718 -10.3419 -10.3419 -10.1829 -10.1829 -10.1338 -10.1338 -2.8890 -2.8890 0.8686 0.8686 0.9655 0.9655 0.9832 0.9832 1.2526 1.2526 1.3993 1.3993 1.4440 1.4440 2.0006 2.0006 2.0916 2.0916 2.1386 2.1386 4.7146 4.7146 5.1563 5.1563 5.1811 5.1811 7.3202 7.3202 7.8501 7.8501 7.8519 7.8519 8.7042 8.7042 9.0551 9.0552 9.3318 9.3318 k = 0.0000 0.2500-0.0000 ( 6527 PWs) bands (ev): -35.0631 -35.0631 -35.0548 -35.0548 -35.0533 -35.0533 -16.3733 -16.3733 -16.3663 -16.3663 -16.3383 -16.3383 -16.0335 -16.0335 -16.0307 -16.0307 -16.0198 -16.0198 -15.9220 -15.9220 -15.8810 -15.8810 -15.8720 -15.8720 -10.3349 -10.3349 -10.1848 -10.1848 -10.1289 -10.1289 -2.8815 -2.8815 0.8637 0.8637 0.9737 0.9737 0.9929 0.9929 1.2268 1.2268 1.3902 1.3902 1.4348 1.4348 1.9830 1.9830 2.0810 2.0810 2.1307 2.1307 4.6429 4.6429 5.1330 5.1330 5.1578 5.1578 7.3347 7.3347 7.9339 7.9339 7.9362 7.9362 8.7502 8.7502 9.0288 9.0288 9.3423 9.3423 k = 0.0000 0.2679-0.0000 ( 6535 PWs) bands (ev): -35.0629 -35.0629 -35.0549 -35.0549 -35.0533 -35.0533 -16.3736 -16.3736 -16.3657 -16.3657 -16.3394 -16.3394 -16.0338 -16.0338 -16.0309 -16.0309 -16.0201 -16.0201 -15.9213 -15.9213 -15.8825 -15.8825 -15.8723 -15.8723 -10.3278 -10.3278 -10.1868 -10.1868 -10.1240 -10.1240 -2.8740 -2.8740 0.8589 0.8589 0.9821 0.9821 1.0033 1.0033 1.2015 1.2015 1.3805 1.3805 1.4252 1.4252 1.9651 1.9651 2.0708 2.0708 2.1228 2.1228 4.5734 4.5734 5.1105 5.1105 5.1354 5.1354 7.3496 7.3496 8.0200 8.0200 8.0227 8.0227 8.7960 8.7960 9.0022 9.0022 9.3531 9.3531 k = 0.0000 0.2857-0.0000 ( 6543 PWs) bands (ev): -35.0627 -35.0627 -35.0551 -35.0551 -35.0533 -35.0533 -16.3739 -16.3739 -16.3651 -16.3651 -16.3404 -16.3404 -16.0342 -16.0342 -16.0311 -16.0311 -16.0204 -16.0204 -15.9205 -15.9205 -15.8841 -15.8841 -15.8726 -15.8726 -10.3206 -10.3206 -10.1891 -10.1891 -10.1191 -10.1191 -2.8666 -2.8666 0.8544 0.8544 0.9904 0.9904 1.0142 1.0142 1.1771 1.1771 1.3703 1.3703 1.4152 1.4152 1.9473 1.9473 2.0611 2.0611 2.1151 2.1151 4.5066 4.5066 5.0891 5.0891 5.1140 5.1140 7.3648 7.3648 8.1077 8.1077 8.1110 8.1110 8.8414 8.8414 8.9755 8.9755 9.3642 9.3642 k = 0.0000 0.3036-0.0000 ( 6535 PWs) bands (ev): -35.0625 -35.0625 -35.0553 -35.0553 -35.0533 -35.0533 -16.3743 -16.3743 -16.3644 -16.3644 -16.3415 -16.3415 -16.0346 -16.0346 -16.0312 -16.0312 -16.0207 -16.0207 -15.9197 -15.9197 -15.8856 -15.8856 -15.8728 -15.8728 -10.3132 -10.3132 -10.1915 -10.1915 -10.1144 -10.1144 -2.8594 -2.8594 0.8502 0.8502 0.9983 0.9983 1.0256 1.0256 1.1543 1.1543 1.3595 1.3595 1.4049 1.4049 1.9298 1.9298 2.0519 2.0519 2.1076 2.1076 4.4432 4.4432 5.0690 5.0690 5.0939 5.0939 7.3800 7.3800 8.1965 8.1965 8.2003 8.2003 8.8867 8.8867 8.9491 8.9491 9.3754 9.3754 k = 0.0000 0.3214-0.0000 ( 6539 PWs) bands (ev): -35.0623 -35.0623 -35.0555 -35.0555 -35.0533 -35.0533 -16.3746 -16.3746 -16.3638 -16.3638 -16.3426 -16.3426 -16.0349 -16.0349 -16.0314 -16.0314 -16.0210 -16.0210 -15.9189 -15.9189 -15.8872 -15.8872 -15.8731 -15.8731 -10.3059 -10.3059 -10.1942 -10.1942 -10.1099 -10.1099 -2.8524 -2.8524 0.8463 0.8463 1.0054 1.0054 1.0374 1.0374 1.1336 1.1336 1.3482 1.3482 1.3945 1.3945 1.9129 1.9129 2.0433 2.0433 2.1005 2.1005 4.3836 4.3836 5.0502 5.0502 5.0752 5.0752 7.3950 7.3950 8.2856 8.2856 8.2902 8.2902 8.9234 8.9234 8.9317 8.9317 9.3866 9.3866 k = 0.0000 0.3393-0.0000 ( 6531 PWs) bands (ev): -35.0620 -35.0620 -35.0558 -35.0558 -35.0533 -35.0533 -16.3749 -16.3749 -16.3630 -16.3630 -16.3437 -16.3437 -16.0352 -16.0352 -16.0316 -16.0316 -16.0212 -16.0212 -15.9179 -15.9179 -15.8887 -15.8887 -15.8734 -15.8734 -10.2985 -10.2985 -10.1971 -10.1971 -10.1055 -10.1055 -2.8458 -2.8458 0.8428 0.8428 1.0109 1.0109 1.0495 1.0495 1.1161 1.1161 1.3365 1.3365 1.3839 1.3839 1.8969 1.8969 2.0353 2.0353 2.0939 2.0939 4.3283 4.3283 5.0329 5.0329 5.0579 5.0579 7.4097 7.4097 8.3742 8.3742 8.3796 8.3796 8.8987 8.8987 8.9763 8.9763 9.3976 9.3976 k = 0.0000 0.3571-0.0000 ( 6535 PWs) bands (ev): -35.0618 -35.0618 -35.0560 -35.0560 -35.0533 -35.0533 -16.3752 -16.3752 -16.3622 -16.3622 -16.3448 -16.3448 -16.0355 -16.0355 -16.0318 -16.0318 -16.0214 -16.0214 -15.9170 -15.9170 -15.8903 -15.8903 -15.8736 -15.8736 -10.2912 -10.2912 -10.2002 -10.2002 -10.1015 -10.1015 -2.8397 -2.8397 0.8397 0.8397 1.0134 1.0134 1.0619 1.0619 1.1031 1.1031 1.3245 1.3245 1.3734 1.3734 1.8819 1.8819 2.0279 2.0279 2.0877 2.0877 4.2778 4.2778 5.0172 5.0172 5.0423 5.0423 7.4238 7.4238 8.4614 8.4614 8.4677 8.4677 8.8752 8.8752 9.0207 9.0207 9.4083 9.4083 k = 0.0000 0.3750-0.0000 ( 6519 PWs) bands (ev): -35.0616 -35.0616 -35.0562 -35.0562 -35.0533 -35.0533 -16.3754 -16.3754 -16.3614 -16.3614 -16.3459 -16.3459 -16.0358 -16.0358 -16.0320 -16.0320 -16.0215 -16.0215 -15.9160 -15.9160 -15.8918 -15.8918 -15.8738 -15.8738 -10.2840 -10.2840 -10.2036 -10.2036 -10.0978 -10.0978 -2.8341 -2.8341 0.8371 0.8371 1.0122 1.0122 1.0744 1.0744 1.0957 1.0957 1.3123 1.3123 1.3630 1.3630 1.8681 1.8681 2.0213 2.0213 2.0821 2.0821 4.2324 4.2324 5.0032 5.0032 5.0283 5.0283 7.4370 7.4370 8.5461 8.5461 8.5533 8.5533 8.8535 8.8535 9.0647 9.0647 9.4185 9.4185 k = 0.0000 0.3929-0.0000 ( 6523 PWs) bands (ev): -35.0614 -35.0614 -35.0563 -35.0563 -35.0533 -35.0533 -16.3756 -16.3756 -16.3606 -16.3606 -16.3471 -16.3471 -16.0361 -16.0361 -16.0322 -16.0322 -16.0217 -16.0217 -15.9151 -15.9151 -15.8932 -15.8932 -15.8740 -15.8740 -10.2770 -10.2770 -10.2072 -10.2072 -10.0945 -10.0945 -2.8291 -2.8291 0.8348 0.8348 1.0071 1.0071 1.0869 1.0869 1.0937 1.0937 1.3000 1.3000 1.3531 1.3531 1.8558 1.8558 2.0155 2.0155 2.0772 2.0772 4.1924 4.1924 4.9910 4.9910 5.0160 5.0160 7.4492 7.4492 8.6267 8.6267 8.6351 8.6351 8.8338 8.8338 9.1083 9.1083 9.4280 9.4280 k = 0.0000 0.4107-0.0000 ( 6524 PWs) bands (ev): -35.0612 -35.0612 -35.0565 -35.0565 -35.0533 -35.0533 -16.3759 -16.3759 -16.3597 -16.3597 -16.3482 -16.3482 -16.0363 -16.0363 -16.0323 -16.0323 -16.0218 -16.0218 -15.9141 -15.9141 -15.8946 -15.8946 -15.8741 -15.8741 -10.2703 -10.2703 -10.2110 -10.2110 -10.0917 -10.0917 -2.8247 -2.8247 0.8329 0.8329 0.9998 0.9998 1.0956 1.0956 1.0991 1.0991 1.2880 1.2880 1.3439 1.3439 1.8451 1.8451 2.0105 2.0105 2.0729 2.0729 4.1581 4.1581 4.9805 4.9805 5.0056 5.0056 7.4600 7.4600 8.7017 8.7017 8.7113 8.7113 8.8164 8.8164 9.1515 9.1515 9.4366 9.4366 k = 0.0000 0.4286-0.0000 ( 6512 PWs) bands (ev): -35.0611 -35.0611 -35.0567 -35.0567 -35.0533 -35.0533 -16.3760 -16.3760 -16.3588 -16.3588 -16.3492 -16.3492 -16.0364 -16.0364 -16.0325 -16.0325 -16.0218 -16.0218 -15.9132 -15.9132 -15.8959 -15.8959 -15.8743 -15.8743 -10.2638 -10.2638 -10.2150 -10.2150 -10.0893 -10.0893 -2.8210 -2.8210 0.8315 0.8315 0.9920 0.9920 1.0994 1.0994 1.1108 1.1108 1.2765 1.2765 1.3356 1.3356 1.8361 1.8361 2.0064 2.0064 2.0693 2.0693 4.1297 4.1297 4.9719 4.9719 4.9970 4.9970 7.4692 7.4692 8.7688 8.7688 8.7796 8.7796 8.8018 8.8018 9.1941 9.1941 9.4441 9.4441 k = 0.0000 0.4464-0.0000 ( 6520 PWs) bands (ev): -35.0609 -35.0609 -35.0568 -35.0568 -35.0533 -35.0533 -16.3762 -16.3762 -16.3579 -16.3579 -16.3503 -16.3503 -16.0365 -16.0365 -16.0326 -16.0326 -16.0219 -16.0219 -15.9123 -15.9123 -15.8970 -15.8970 -15.8744 -15.8744 -10.2577 -10.2577 -10.2191 -10.2191 -10.0874 -10.0874 -2.8182 -2.8182 0.8304 0.8304 0.9851 0.9851 1.1036 1.1036 1.1213 1.1213 1.2661 1.2661 1.3286 1.3286 1.8289 1.8289 2.0031 2.0031 2.0665 2.0665 4.1074 4.1074 4.9651 4.9651 4.9902 4.9902 7.4767 7.4767 8.7900 8.7900 8.8255 8.8255 8.8375 8.8375 9.2359 9.2359 9.4503 9.4788 k = 0.0000 0.4643-0.0000 ( 6504 PWs) bands (ev): -35.0608 -35.0608 -35.0569 -35.0569 -35.0533 -35.0533 -16.3762 -16.3762 -16.3571 -16.3571 -16.3512 -16.3512 -16.0366 -16.0366 -16.0327 -16.0327 -16.0220 -16.0220 -15.9116 -15.9116 -15.8979 -15.8979 -15.8744 -15.8744 -10.2523 -10.2523 -10.2231 -10.2231 -10.0860 -10.0860 -2.8161 -2.8161 0.8296 0.8296 0.9798 0.9798 1.1073 1.1073 1.1301 1.1301 1.2574 1.2574 1.3232 1.3232 1.8238 1.8238 2.0008 2.0008 2.0645 2.0645 4.0914 4.0914 4.9603 4.9603 4.9854 4.9854 7.4821 7.4821 8.7814 8.7814 8.8689 8.8689 8.8820 8.8820 9.2765 9.2765 9.4436 9.4436 k = 0.0000 0.4821-0.0000 ( 6516 PWs) bands (ev): -35.0608 -35.0608 -35.0570 -35.0570 -35.0533 -35.0533 -16.3763 -16.3763 -16.3565 -16.3565 -16.3519 -16.3519 -16.0367 -16.0367 -16.0327 -16.0327 -16.0220 -16.0220 -15.9112 -15.9112 -15.8985 -15.8985 -15.8745 -15.8745 -10.2481 -10.2481 -10.2264 -10.2264 -10.0852 -10.0852 -2.8148 -2.8148 0.8291 0.8291 0.9765 0.9765 1.1097 1.1097 1.1360 1.1360 1.2515 1.2515 1.3199 1.3199 1.8206 1.8206 1.9994 1.9994 2.0633 2.0633 4.0817 4.0817 4.9574 4.9574 4.9825 4.9825 7.4854 7.4854 8.7762 8.7762 8.8964 8.8964 8.9102 8.9102 9.3144 9.3144 9.4083 9.4083 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3763 -16.3763 -16.3562 -16.3562 -16.3523 -16.3523 -16.0368 -16.0368 -16.0327 -16.0327 -16.0220 -16.0220 -15.9110 -15.9110 -15.8987 -15.8987 -15.8746 -15.8746 -10.2464 -10.2464 -10.2279 -10.2279 -10.0849 -10.0849 -2.8144 -2.8144 0.8289 0.8289 0.9754 0.9754 1.1106 1.1106 1.1381 1.1381 1.2494 1.2494 1.3187 1.3187 1.8196 1.8196 1.9989 1.9989 2.0629 2.0629 4.0785 4.0785 4.9564 4.9564 4.9815 4.9815 7.4865 7.4865 8.7744 8.7744 8.9058 8.9058 8.9199 8.9199 9.3371 9.3371 9.3864 9.3864 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3763 -16.3763 -16.3562 -16.3562 -16.3523 -16.3523 -16.0368 -16.0368 -16.0327 -16.0327 -16.0220 -16.0220 -15.9110 -15.9110 -15.8987 -15.8987 -15.8746 -15.8746 -10.2464 -10.2464 -10.2279 -10.2279 -10.0849 -10.0849 -2.8144 -2.8144 0.8289 0.8289 0.9754 0.9754 1.1106 1.1106 1.1381 1.1381 1.2494 1.2494 1.3187 1.3187 1.8196 1.8196 1.9989 1.9989 2.0629 2.0629 4.0785 4.0785 4.9564 4.9564 4.9815 4.9815 7.4865 7.4865 8.7744 8.7744 8.9058 8.9058 8.9199 8.9199 9.3371 9.3371 9.3864 9.3864 k = 0.0179 0.5000-0.0000 ( 6516 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3763 -16.3763 -16.3564 -16.3564 -16.3521 -16.3521 -16.0368 -16.0368 -16.0329 -16.0329 -16.0218 -16.0218 -15.9111 -15.9111 -15.8986 -15.8986 -15.8745 -15.8745 -10.2461 -10.2461 -10.2277 -10.2277 -10.0849 -10.0849 -2.8139 -2.8139 0.8287 0.8287 0.9741 0.9741 1.1099 1.1099 1.1377 1.1377 1.2495 1.2495 1.3187 1.3187 1.8156 1.8156 2.0005 2.0005 2.0638 2.0638 4.0790 4.0790 4.9540 4.9540 4.9791 4.9791 7.4906 7.4906 8.7762 8.7762 8.9067 8.9067 8.9208 8.9208 9.3401 9.3401 9.3890 9.3890 k = 0.0357 0.5000-0.0000 ( 6512 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3764 -16.3764 -16.3568 -16.3568 -16.3518 -16.3518 -16.0372 -16.0372 -16.0334 -16.0334 -16.0211 -16.0211 -15.9114 -15.9114 -15.8985 -15.8985 -15.8744 -15.8744 -10.2452 -10.2452 -10.2269 -10.2269 -10.0848 -10.0848 -2.8123 -2.8123 0.8279 0.8279 0.9703 0.9703 1.1075 1.1075 1.1367 1.1367 1.2500 1.2500 1.3187 1.3187 1.8045 1.8045 2.0041 2.0041 2.0670 2.0670 4.0803 4.0803 4.9467 4.9467 4.9723 4.9723 7.5025 7.5025 8.7814 8.7814 8.9095 8.9095 8.9237 8.9237 9.3486 9.3486 9.3966 9.3966 k = 0.0536 0.5000-0.0000 ( 6510 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3765 -16.3765 -16.3574 -16.3574 -16.3514 -16.3514 -16.0377 -16.0377 -16.0339 -16.0339 -16.0202 -16.0202 -15.9119 -15.9119 -15.8982 -15.8982 -15.8743 -15.8743 -10.2439 -10.2439 -10.2257 -10.2257 -10.0847 -10.0847 -2.8098 -2.8098 0.8267 0.8267 0.9641 0.9641 1.1030 1.1030 1.1356 1.1356 1.2507 1.2507 1.3187 1.3187 1.7877 1.7877 2.0073 2.0073 2.0733 2.0733 4.0826 4.0826 4.9338 4.9338 4.9620 4.9620 7.5223 7.5223 8.7901 8.7901 8.9139 8.9139 8.9289 8.9289 9.3613 9.3613 9.4086 9.4086 k = 0.0714 0.5000-0.0000 ( 6498 PWs) bands (ev): -35.0606 -35.0606 -35.0570 -35.0570 -35.0534 -35.0534 -16.3766 -16.3766 -16.3582 -16.3582 -16.3510 -16.3510 -16.0385 -16.0385 -16.0345 -16.0345 -16.0191 -16.0191 -15.9125 -15.9125 -15.8979 -15.8979 -15.8741 -15.8741 -10.2419 -10.2419 -10.2240 -10.2240 -10.0845 -10.0845 -2.8062 -2.8062 0.8249 0.8249 0.9555 0.9555 1.0961 1.0961 1.1353 1.1353 1.2514 1.2514 1.3186 1.3186 1.7667 1.7667 2.0082 2.0082 2.0836 2.0836 4.0856 4.0856 4.9149 4.9149 4.9492 4.9492 7.5497 7.5497 8.8020 8.8020 8.9196 8.9196 8.9370 8.9370 9.3762 9.3762 9.4241 9.4241 k = 0.0893 0.5000-0.0000 ( 6504 PWs) bands (ev): -35.0606 -35.0606 -35.0570 -35.0570 -35.0534 -35.0534 -16.3767 -16.3767 -16.3590 -16.3590 -16.3506 -16.3506 -16.0396 -16.0396 -16.0351 -16.0351 -16.0179 -16.0179 -15.9133 -15.9133 -15.8976 -15.8976 -15.8739 -15.8739 -10.2395 -10.2395 -10.2219 -10.2219 -10.0842 -10.0842 -2.8017 -2.8017 0.8225 0.8225 0.9446 0.9446 1.0867 1.0867 1.1359 1.1359 1.2522 1.2522 1.3184 1.3184 1.7428 1.7428 2.0060 2.0060 2.0972 2.0972 4.0892 4.0892 4.8902 4.8902 4.9344 4.9344 7.5844 7.5844 8.8172 8.8172 8.9263 8.9263 8.9485 8.9485 9.3910 9.3910 9.4418 9.4418 k = 0.1071 0.5000-0.0000 ( 6512 PWs) bands (ev): -35.0605 -35.0605 -35.0570 -35.0570 -35.0535 -35.0535 -16.3769 -16.3769 -16.3599 -16.3599 -16.3502 -16.3502 -16.0409 -16.0409 -16.0356 -16.0356 -16.0167 -16.0167 -15.9141 -15.9141 -15.8973 -15.8973 -15.8737 -15.8737 -10.2366 -10.2366 -10.2194 -10.2194 -10.0839 -10.0839 -2.7964 -2.7964 0.8195 0.8195 0.9319 0.9319 1.0749 1.0749 1.1376 1.1376 1.2528 1.2528 1.3180 1.3180 1.7168 1.7168 2.0013 2.0013 2.1131 2.1131 4.0934 4.0934 4.8602 4.8602 4.9178 4.9178 7.6260 7.6260 8.8352 8.8352 8.9339 8.9339 8.9639 8.9639 9.4046 9.4046 9.4606 9.4606 k = 0.1250 0.5000-0.0000 ( 6510 PWs) bands (ev): -35.0604 -35.0604 -35.0570 -35.0570 -35.0535 -35.0535 -16.3772 -16.3772 -16.3608 -16.3608 -16.3499 -16.3499 -16.0422 -16.0422 -16.0360 -16.0360 -16.0154 -16.0154 -15.9150 -15.9150 -15.8970 -15.8970 -15.8733 -15.8733 -10.2332 -10.2332 -10.2165 -10.2165 -10.0835 -10.0835 -2.7902 -2.7902 0.8159 0.8159 0.9175 0.9175 1.0611 1.0611 1.1403 1.1403 1.2533 1.2533 1.3175 1.3175 1.6894 1.6894 1.9944 1.9944 2.1305 2.1305 4.0980 4.0980 4.8258 4.8258 4.8996 4.8996 7.6742 7.6742 8.8560 8.8560 8.9427 8.9427 8.9831 8.9831 9.4168 9.4168 9.4792 9.4792 k = 0.1429 0.5000-0.0000 ( 6518 PWs) bands (ev): -35.0604 -35.0604 -35.0570 -35.0570 -35.0536 -35.0536 -16.3775 -16.3775 -16.3618 -16.3618 -16.3496 -16.3496 -16.0437 -16.0437 -16.0365 -16.0365 -16.0142 -16.0142 -15.9159 -15.9159 -15.8968 -15.8968 -15.8730 -15.8730 -10.2295 -10.2295 -10.2133 -10.2133 -10.0831 -10.0831 -2.7832 -2.7832 0.8115 0.8115 0.9018 0.9018 1.0457 1.0457 1.1439 1.1439 1.2535 1.2535 1.3168 1.3168 1.6610 1.6610 1.9859 1.9859 2.1486 2.1486 4.1029 4.1029 4.7877 4.7877 4.8800 4.8800 7.7285 7.7285 8.8791 8.8791 8.9528 8.9528 9.0063 9.0063 9.4282 9.4282 9.4970 9.4970 k = 0.1607 0.5000-0.0000 ( 6528 PWs) bands (ev): -35.0603 -35.0603 -35.0570 -35.0570 -35.0537 -35.0537 -16.3778 -16.3778 -16.3627 -16.3627 -16.3494 -16.3494 -16.0451 -16.0451 -16.0370 -16.0370 -16.0129 -16.0129 -15.9169 -15.9169 -15.8966 -15.8966 -15.8726 -15.8726 -10.2254 -10.2254 -10.2098 -10.2098 -10.0826 -10.0826 -2.7755 -2.7755 0.8061 0.8061 0.8852 0.8852 1.0288 1.0288 1.1483 1.1483 1.2535 1.2535 1.3159 1.3159 1.6321 1.6321 1.9760 1.9760 2.1670 2.1670 4.1078 4.1078 4.7467 4.7467 4.8593 4.8593 7.7886 7.7886 8.9039 8.9039 8.9644 8.9644 9.0334 9.0334 9.4391 9.4391 9.5134 9.5134 k = 0.1786 0.5000-0.0000 ( 6528 PWs) bands (ev): -35.0601 -35.0601 -35.0570 -35.0570 -35.0538 -35.0538 -16.3782 -16.3782 -16.3636 -16.3636 -16.3492 -16.3492 -16.0466 -16.0466 -16.0375 -16.0375 -16.0118 -16.0118 -15.9179 -15.9179 -15.8964 -15.8964 -15.8721 -15.8721 -10.2210 -10.2210 -10.2060 -10.2060 -10.0821 -10.0821 -2.7673 -2.7673 0.7996 0.7996 0.8684 0.8684 1.0108 1.0108 1.1534 1.1534 1.2532 1.2532 1.3148 1.3148 1.6031 1.6031 1.9649 1.9649 2.1854 2.1854 4.1128 4.1128 4.7035 4.7035 4.8379 4.8379 7.8539 7.8539 8.9296 8.9296 8.9783 8.9783 9.0645 9.0645 9.4501 9.4501 9.5283 9.5283 k = 0.1964 0.5000-0.0000 ( 6536 PWs) bands (ev): -35.0600 -35.0600 -35.0570 -35.0570 -35.0539 -35.0539 -16.3786 -16.3786 -16.3645 -16.3645 -16.3491 -16.3491 -16.0480 -16.0480 -16.0379 -16.0379 -16.0106 -16.0106 -15.9189 -15.9189 -15.8963 -15.8963 -15.8717 -15.8717 -10.2163 -10.2163 -10.2021 -10.2021 -10.0815 -10.0815 -2.7585 -2.7585 0.7916 0.7916 0.8520 0.8520 0.9919 0.9919 1.1592 1.1592 1.2527 1.2527 1.3135 1.3135 1.5744 1.5744 1.9529 1.9529 2.2035 2.2035 4.1176 4.1176 4.6589 4.6589 4.8159 4.8159 7.9240 7.9240 8.9544 8.9544 8.9957 8.9957 9.0995 9.0995 9.4613 9.4613 9.5417 9.5417 k = 0.2143 0.5000-0.0000 ( 6538 PWs) bands (ev): -35.0599 -35.0599 -35.0570 -35.0570 -35.0541 -35.0541 -16.3791 -16.3791 -16.3653 -16.3653 -16.3490 -16.3490 -16.0494 -16.0494 -16.0385 -16.0385 -16.0095 -16.0095 -15.9199 -15.9199 -15.8963 -15.8963 -15.8712 -15.8712 -10.2115 -10.2115 -10.1980 -10.1980 -10.0808 -10.0808 -2.7494 -2.7494 0.7818 0.7818 0.8365 0.8365 0.9724 0.9724 1.1654 1.1654 1.2520 1.2520 1.3120 1.3120 1.5461 1.5461 1.9400 1.9400 2.2213 2.2213 4.1222 4.1222 4.6133 4.6133 4.7937 4.7937 7.9985 7.9985 8.9766 8.9766 9.0179 9.0179 9.1382 9.1382 9.4728 9.4728 9.5538 9.5538 k = 0.2321 0.5000-0.0000 ( 6542 PWs) bands (ev): -35.0598 -35.0598 -35.0570 -35.0570 -35.0542 -35.0542 -16.3797 -16.3797 -16.3661 -16.3661 -16.3489 -16.3489 -16.0507 -16.0507 -16.0390 -16.0390 -16.0085 -16.0085 -15.9208 -15.9208 -15.8963 -15.8963 -15.8707 -15.8707 -10.2065 -10.2065 -10.1939 -10.1939 -10.0800 -10.0800 -2.7400 -2.7400 0.7698 0.7698 0.8226 0.8226 0.9525 0.9525 1.1720 1.1720 1.2512 1.2512 1.3105 1.3105 1.5187 1.5187 1.9266 1.9266 2.2385 2.2385 4.1265 4.1265 4.5676 4.5676 4.7717 4.7717 8.0769 8.0769 8.9958 8.9958 9.0447 9.0447 9.1805 9.1805 9.4848 9.4848 9.5647 9.5647 k = 0.2500 0.5000-0.0000 ( 6558 PWs) bands (ev): -35.0596 -35.0596 -35.0570 -35.0570 -35.0543 -35.0543 -16.3803 -16.3803 -16.3669 -16.3669 -16.3489 -16.3489 -16.0521 -16.0521 -16.0395 -16.0395 -16.0075 -16.0075 -15.9217 -15.9217 -15.8963 -15.8963 -15.8701 -15.8701 -10.2015 -10.2015 -10.1897 -10.1897 -10.0793 -10.0793 -2.7304 -2.7304 0.7559 0.7559 0.8104 0.8104 0.9326 0.9326 1.1788 1.1788 1.2504 1.2504 1.3089 1.3089 1.4923 1.4923 1.9126 1.9126 2.2551 2.2551 4.1305 4.1305 4.5222 4.5222 4.7499 4.7499 8.1588 8.1588 9.0134 9.0134 9.0743 9.0743 9.2260 9.2260 9.4971 9.4971 9.5747 9.5747 k = 0.2679 0.5000-0.0000 ( 6546 PWs) bands (ev): -35.0595 -35.0595 -35.0570 -35.0570 -35.0545 -35.0545 -16.3809 -16.3809 -16.3675 -16.3675 -16.3489 -16.3489 -16.0533 -16.0533 -16.0400 -16.0400 -16.0066 -16.0066 -15.9226 -15.9226 -15.8964 -15.8964 -15.8696 -15.8696 -10.1964 -10.1964 -10.1856 -10.1856 -10.0784 -10.0784 -2.7208 -2.7208 0.7405 0.7405 0.7996 0.7996 0.9129 0.9129 1.1856 1.1856 1.2496 1.2496 1.3073 1.3073 1.4673 1.4673 1.8984 1.8984 2.2710 2.2710 4.1341 4.1341 4.4777 4.4777 4.7288 4.7288 8.2438 8.2438 9.0305 9.0305 9.1049 9.1049 9.2744 9.2744 9.5098 9.5098 9.5839 9.5839 k = 0.2857 0.5000-0.0000 ( 6542 PWs) bands (ev): -35.0593 -35.0593 -35.0570 -35.0570 -35.0546 -35.0546 -16.3815 -16.3815 -16.3681 -16.3681 -16.3489 -16.3489 -16.0544 -16.0544 -16.0405 -16.0405 -16.0057 -16.0057 -15.9234 -15.9234 -15.8965 -15.8965 -15.8690 -15.8690 -10.1915 -10.1915 -10.1816 -10.1816 -10.0775 -10.0775 -2.7112 -2.7112 0.7246 0.7246 0.7897 0.7897 0.8936 0.8936 1.1920 1.1920 1.2491 1.2491 1.3057 1.3057 1.4438 1.4438 1.8840 1.8840 2.2860 2.2860 4.1373 4.1373 4.4346 4.4346 4.7085 4.7085 8.3313 8.3313 9.0476 9.0476 9.1351 9.1351 9.3253 9.3253 9.5226 9.5226 9.5924 9.5924 k = 0.3036 0.5000-0.0000 ( 6530 PWs) bands (ev): -35.0591 -35.0591 -35.0570 -35.0570 -35.0548 -35.0548 -16.3821 -16.3821 -16.3686 -16.3686 -16.3489 -16.3489 -16.0555 -16.0555 -16.0409 -16.0409 -16.0049 -16.0049 -15.9242 -15.9242 -15.8966 -15.8966 -15.8685 -15.8685 -10.1866 -10.1866 -10.1777 -10.1777 -10.0766 -10.0766 -2.7018 -2.7018 0.7086 0.7086 0.7803 0.7803 0.8752 0.8752 1.1979 1.1979 1.2491 1.2491 1.3042 1.3042 1.4219 1.4219 1.8696 1.8696 2.3000 2.3000 4.1401 4.1401 4.3934 4.3934 4.6891 4.6891 8.4210 8.4210 9.0650 9.0650 9.1641 9.1641 9.3781 9.3781 9.5356 9.5356 9.6006 9.6006 k = 0.3214 0.5000-0.0000 ( 6510 PWs) bands (ev): -35.0589 -35.0589 -35.0570 -35.0570 -35.0550 -35.0550 -16.3828 -16.3828 -16.3690 -16.3690 -16.3489 -16.3489 -16.0565 -16.0565 -16.0413 -16.0413 -16.0041 -16.0041 -15.9249 -15.9249 -15.8967 -15.8967 -15.8680 -15.8680 -10.1820 -10.1820 -10.1740 -10.1740 -10.0756 -10.0756 -2.6928 -2.6928 0.6931 0.6931 0.7712 0.7712 0.8577 0.8577 1.2027 1.2027 1.2500 1.2500 1.3029 1.3029 1.4020 1.4020 1.8553 1.8553 2.3131 2.3131 4.1425 4.1425 4.3544 4.3544 4.6710 4.6710 8.5123 8.5123 9.0827 9.0827 9.1909 9.1909 9.4322 9.4322 9.5484 9.5484 9.6086 9.6086 k = 0.3393 0.5000-0.0000 ( 6502 PWs) bands (ev): -35.0587 -35.0587 -35.0570 -35.0570 -35.0551 -35.0551 -16.3834 -16.3834 -16.3694 -16.3694 -16.3490 -16.3490 -16.0574 -16.0574 -16.0418 -16.0418 -16.0035 -16.0035 -15.9256 -15.9256 -15.8969 -15.8969 -15.8675 -15.8675 -10.1776 -10.1776 -10.1705 -10.1705 -10.0747 -10.0747 -2.6842 -2.6842 0.6784 0.6784 0.7622 0.7622 0.8416 0.8416 1.2060 1.2060 1.2520 1.2520 1.3017 1.3017 1.3840 1.3840 1.8415 1.8415 2.3252 2.3252 4.1445 4.1445 4.3182 4.3182 4.6541 4.6541 8.6047 8.6047 9.1006 9.1006 9.2149 9.2149 9.4861 9.4861 9.5610 9.5610 9.6170 9.6170 k = 0.3571 0.5000-0.0000 ( 6500 PWs) bands (ev): -35.0585 -35.0585 -35.0570 -35.0570 -35.0553 -35.0553 -16.3840 -16.3840 -16.3698 -16.3698 -16.3491 -16.3491 -16.0583 -16.0583 -16.0422 -16.0422 -16.0029 -16.0029 -15.9262 -15.9262 -15.8970 -15.8970 -15.8671 -15.8671 -10.1736 -10.1736 -10.1673 -10.1673 -10.0737 -10.0737 -2.6762 -2.6762 0.6649 0.6649 0.7533 0.7533 0.8270 0.8270 1.2077 1.2077 1.2551 1.2551 1.3007 1.3007 1.3681 1.3681 1.8283 1.8283 2.3361 2.3361 4.1461 4.1461 4.2849 4.2849 4.6387 4.6387 8.6975 8.6975 9.1188 9.1188 9.2354 9.2354 9.5376 9.5376 9.5732 9.5732 9.6279 9.6279 k = 0.3750 0.5000-0.0000 ( 6500 PWs) bands (ev): -35.0584 -35.0584 -35.0570 -35.0570 -35.0555 -35.0555 -16.3846 -16.3846 -16.3701 -16.3701 -16.3492 -16.3492 -16.0590 -16.0590 -16.0425 -16.0425 -16.0024 -16.0024 -15.9268 -15.9268 -15.8971 -15.8971 -15.8667 -15.8667 -10.1699 -10.1699 -10.1644 -10.1644 -10.0728 -10.0728 -2.6688 -2.6688 0.6527 0.6527 0.7447 0.7447 0.8140 0.8140 1.2080 1.2080 1.2591 1.2591 1.3000 1.3000 1.3544 1.3544 1.8159 1.8159 2.3458 2.3458 4.1474 4.1474 4.2549 4.2549 4.6249 4.6249 8.7901 8.7901 9.1370 9.1370 9.2519 9.2519 9.5797 9.5797 9.5848 9.5848 9.6469 9.6469 k = 0.3929 0.5000-0.0000 ( 6512 PWs) bands (ev): -35.0582 -35.0582 -35.0570 -35.0570 -35.0557 -35.0557 -16.3851 -16.3851 -16.3703 -16.3703 -16.3493 -16.3493 -16.0597 -16.0597 -16.0429 -16.0429 -16.0019 -16.0019 -15.9273 -15.9273 -15.8973 -15.8973 -15.8664 -15.8664 -10.1667 -10.1667 -10.1617 -10.1617 -10.0719 -10.0719 -2.6622 -2.6622 0.6419 0.6419 0.7364 0.7364 0.8029 0.8029 1.2073 1.2073 1.2634 1.2634 1.2995 1.2995 1.3427 1.3427 1.8045 1.8045 2.3544 2.3544 4.1483 4.1483 4.2285 4.2285 4.6127 4.6127 8.8814 8.8814 9.1551 9.1551 9.2640 9.2640 9.5952 9.5952 9.6036 9.6036 9.6823 9.6823 k = 0.4107 0.5000-0.0000 ( 6514 PWs) bands (ev): -35.0580 -35.0580 -35.0570 -35.0570 -35.0559 -35.0559 -16.3856 -16.3856 -16.3705 -16.3705 -16.3493 -16.3493 -16.0603 -16.0603 -16.0431 -16.0431 -16.0016 -16.0016 -15.9277 -15.9277 -15.8974 -15.8974 -15.8661 -15.8661 -10.1640 -10.1640 -10.1594 -10.1594 -10.0712 -10.0712 -2.6564 -2.6564 0.6326 0.6326 0.7288 0.7288 0.7936 0.7936 1.2060 1.2060 1.2676 1.2676 1.2992 1.2992 1.3332 1.3332 1.7944 1.7944 2.3616 2.3616 4.1489 4.1489 4.2060 4.2060 4.6022 4.6022 8.9702 8.9702 9.1730 9.1730 9.2718 9.2718 9.6047 9.6047 9.6145 9.6145 9.7273 9.7273 k = 0.4286 0.5000-0.0000 ( 6508 PWs) bands (ev): -35.0578 -35.0578 -35.0569 -35.0569 -35.0561 -35.0561 -16.3859 -16.3859 -16.3707 -16.3707 -16.3494 -16.3494 -16.0607 -16.0607 -16.0434 -16.0434 -16.0012 -16.0012 -15.9280 -15.9280 -15.8975 -15.8975 -15.8658 -15.8658 -10.1618 -10.1618 -10.1574 -10.1574 -10.0705 -10.0705 -2.6516 -2.6516 0.6249 0.6249 0.7221 0.7221 0.7860 0.7860 1.2045 1.2045 1.2712 1.2712 1.2992 1.2992 1.3259 1.3259 1.7857 1.7857 2.3676 2.3676 4.1490 4.1490 4.1877 4.1877 4.5936 4.5936 9.0547 9.0547 9.1903 9.1903 9.2752 9.2752 9.6129 9.6129 9.6204 9.6204 9.7723 9.7723 k = 0.4464 0.5000-0.0000 ( 6512 PWs) bands (ev): -35.0576 -35.0576 -35.0569 -35.0569 -35.0563 -35.0563 -16.3863 -16.3863 -16.3708 -16.3708 -16.3494 -16.3494 -16.0611 -16.0611 -16.0436 -16.0436 -16.0010 -16.0010 -15.9283 -15.9283 -15.8976 -15.8976 -15.8656 -15.8656 -10.1601 -10.1601 -10.1558 -10.1558 -10.0699 -10.0699 -2.6477 -2.6477 0.6189 0.6189 0.7165 0.7165 0.7802 0.7802 1.2030 1.2030 1.2740 1.2740 1.2991 1.2991 1.3206 1.3206 1.7787 1.7787 2.3723 2.3723 4.1484 4.1484 4.1739 4.1739 4.5868 4.5868 9.1318 9.1318 9.2069 9.2069 9.2746 9.2746 9.6195 9.6195 9.6242 9.6242 9.8120 9.8121 k = 0.4643 0.5000-0.0000 ( 6514 PWs) bands (ev): -35.0574 -35.0574 -35.0569 -35.0569 -35.0565 -35.0565 -16.3865 -16.3865 -16.3709 -16.3709 -16.3495 -16.3495 -16.0613 -16.0613 -16.0437 -16.0437 -16.0008 -16.0008 -15.9285 -15.9285 -15.8977 -15.8977 -15.8655 -15.8655 -10.1589 -10.1589 -10.1546 -10.1546 -10.0695 -10.0695 -2.6450 -2.6450 0.6146 0.6146 0.7124 0.7124 0.7761 0.7761 1.2018 1.2018 1.2759 1.2759 1.2990 1.2990 1.3172 1.3172 1.7736 1.7736 2.3757 2.3757 4.1469 4.1469 4.1650 4.1650 4.5820 4.5820 9.1969 9.1969 9.2222 9.2222 9.2706 9.2706 9.6243 9.6243 9.6266 9.6266 9.7818 9.7909 k = 0.4821 0.5000-0.0000 ( 6514 PWs) bands (ev): -35.0571 -35.0571 -35.0569 -35.0569 -35.0567 -35.0567 -16.3866 -16.3866 -16.3710 -16.3710 -16.3495 -16.3495 -16.0615 -16.0615 -16.0438 -16.0438 -16.0007 -16.0007 -15.9286 -15.9286 -15.8977 -15.8977 -15.8654 -15.8654 -10.1582 -10.1582 -10.1539 -10.1539 -10.0693 -10.0693 -2.6433 -2.6433 0.6121 0.6121 0.7098 0.7098 0.7736 0.7736 1.2010 1.2010 1.2771 1.2771 1.2989 1.2989 1.3155 1.3155 1.7705 1.7705 2.3777 2.3777 4.1448 4.1448 4.1608 4.1608 4.5790 4.5790 9.2352 9.2352 9.2424 9.2424 9.2643 9.2643 9.6271 9.6271 9.6281 9.6281 9.7520 9.7524 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3866 -16.3866 -16.3710 -16.3710 -16.3495 -16.3495 -16.0615 -16.0615 -16.0438 -16.0438 -16.0007 -16.0007 -15.9286 -15.9286 -15.8977 -15.8977 -15.8654 -15.8654 -10.1579 -10.1579 -10.1537 -10.1537 -10.0692 -10.0692 -2.6427 -2.6427 0.6112 0.6112 0.7090 0.7090 0.7728 0.7728 1.2007 1.2007 1.2774 1.2774 1.2988 1.2988 1.3149 1.3149 1.7694 1.7694 2.3784 2.3784 4.1439 4.1439 4.1597 4.1597 4.5781 4.5781 9.2421 9.2421 9.2570 9.2570 9.2618 9.2618 9.6279 9.6279 9.6287 9.6287 9.7406 9.7406 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3866 -16.3866 -16.3710 -16.3710 -16.3495 -16.3495 -16.0615 -16.0615 -16.0438 -16.0438 -16.0007 -16.0007 -15.9286 -15.9286 -15.8977 -15.8977 -15.8654 -15.8654 -10.1579 -10.1579 -10.1537 -10.1537 -10.0692 -10.0692 -2.6427 -2.6427 0.6112 0.6112 0.7090 0.7090 0.7728 0.7728 1.2007 1.2007 1.2774 1.2774 1.2988 1.2988 1.3149 1.3149 1.7694 1.7694 2.3784 2.3784 4.1439 4.1439 4.1597 4.1597 4.5781 4.5781 9.2421 9.2421 9.2570 9.2570 9.2618 9.2618 9.6279 9.6279 9.6287 9.6287 9.7406 9.7406 k = 0.4875 0.4875-0.0000 ( 6512 PWs) bands (ev): -35.0571 -35.0571 -35.0569 -35.0569 -35.0567 -35.0567 -16.3866 -16.3866 -16.3710 -16.3710 -16.3495 -16.3495 -16.0615 -16.0615 -16.0438 -16.0438 -16.0007 -16.0007 -15.9286 -15.9286 -15.8977 -15.8977 -15.8654 -15.8654 -10.1582 -10.1582 -10.1539 -10.1539 -10.0693 -10.0693 -2.6433 -2.6433 0.6120 0.6120 0.7098 0.7098 0.7736 0.7736 1.2010 1.2010 1.2771 1.2771 1.2989 1.2989 1.3155 1.3155 1.7704 1.7704 2.3777 2.3777 4.1449 4.1449 4.1607 4.1607 4.5790 4.5790 9.2345 9.2345 9.2456 9.2456 9.2620 9.2620 9.6263 9.6263 9.6289 9.6289 9.7519 9.7520 k = 0.4750 0.4750-0.0000 ( 6512 PWs) bands (ev): -35.0574 -35.0574 -35.0569 -35.0569 -35.0565 -35.0565 -16.3865 -16.3865 -16.3709 -16.3709 -16.3495 -16.3495 -16.0613 -16.0613 -16.0437 -16.0437 -16.0008 -16.0008 -15.9285 -15.9285 -15.8977 -15.8977 -15.8655 -15.8655 -10.1590 -10.1590 -10.1545 -10.1545 -10.0695 -10.0695 -2.6449 -2.6449 0.6146 0.6146 0.7123 0.7123 0.7760 0.7760 1.2017 1.2017 1.2759 1.2759 1.2991 1.2991 1.3172 1.3172 1.7735 1.7735 2.3758 2.3758 4.1478 4.1478 4.1640 4.1640 4.5819 4.5819 9.2087 9.2087 9.2168 9.2168 9.2642 9.2642 9.6207 9.6207 9.6303 9.6303 9.7813 9.7815 k = 0.4625 0.4625-0.0000 ( 6498 PWs) bands (ev): -35.0576 -35.0576 -35.0569 -35.0569 -35.0563 -35.0563 -16.3863 -16.3863 -16.3708 -16.3708 -16.3494 -16.3494 -16.0611 -16.0611 -16.0435 -16.0435 -16.0010 -16.0010 -15.9283 -15.9283 -15.8976 -15.8976 -15.8656 -15.8656 -10.1607 -10.1607 -10.1551 -10.1551 -10.0699 -10.0699 -2.6477 -2.6477 0.6188 0.6188 0.7164 0.7164 0.7800 0.7800 1.2029 1.2029 1.2737 1.2737 1.2996 1.2996 1.3206 1.3206 1.7786 1.7786 2.3725 2.3725 4.1522 4.1522 4.1699 4.1699 4.5867 4.5867 9.1556 9.1556 9.1912 9.1912 9.2647 9.2647 9.6113 9.6113 9.6326 9.6326 9.8090 9.8091 k = 0.4500 0.4500-0.0000 ( 6506 PWs) bands (ev): -35.0578 -35.0578 -35.0569 -35.0569 -35.0561 -35.0561 -16.3860 -16.3860 -16.3707 -16.3707 -16.3494 -16.3494 -16.0607 -16.0607 -16.0434 -16.0434 -16.0012 -16.0012 -15.9280 -15.9280 -15.8975 -15.8975 -15.8658 -15.8658 -10.1634 -10.1634 -10.1556 -10.1556 -10.0706 -10.0706 -2.6515 -2.6515 0.6248 0.6248 0.7220 0.7220 0.7855 0.7855 1.2042 1.2042 1.2704 1.2704 1.3004 1.3004 1.3259 1.3259 1.7854 1.7854 2.3680 2.3680 4.1578 4.1578 4.1787 4.1787 4.5933 4.5933 9.0921 9.0921 9.1586 9.1586 9.2633 9.2633 9.5979 9.5979 9.6359 9.6359 9.7631 9.7631 k = 0.4375 0.4375-0.0000 ( 6520 PWs) bands (ev): -35.0580 -35.0580 -35.0568 -35.0568 -35.0560 -35.0560 -16.3856 -16.3856 -16.3706 -16.3706 -16.3493 -16.3493 -16.0603 -16.0603 -16.0432 -16.0432 -16.0015 -16.0015 -15.9277 -15.9277 -15.8974 -15.8974 -15.8660 -15.8660 -10.1670 -10.1670 -10.1560 -10.1560 -10.0715 -10.0715 -2.6563 -2.6563 0.6324 0.6324 0.7288 0.7288 0.7925 0.7925 1.2052 1.2052 1.2661 1.2661 1.3018 1.3018 1.3332 1.3332 1.7939 1.7939 2.3624 2.3624 4.1644 4.1644 4.1908 4.1908 4.6019 4.6019 9.0223 9.0223 9.1195 9.1195 9.2607 9.2607 9.5799 9.5799 9.6400 9.6400 9.7071 9.7072 k = 0.4250 0.4250-0.0000 ( 6524 PWs) bands (ev): -35.0583 -35.0583 -35.0568 -35.0568 -35.0558 -35.0558 -16.3851 -16.3851 -16.3704 -16.3704 -16.3492 -16.3492 -16.0598 -16.0598 -16.0429 -16.0429 -16.0019 -16.0019 -15.9274 -15.9274 -15.8973 -15.8973 -15.8663 -15.8663 -10.1714 -10.1714 -10.1564 -10.1564 -10.0726 -10.0726 -2.6620 -2.6620 0.6417 0.6417 0.7368 0.7368 0.8010 0.8010 1.2053 1.2053 1.2616 1.2616 1.3038 1.3038 1.3428 1.3428 1.8039 1.8039 2.3557 2.3557 4.1721 4.1721 4.2059 4.2059 4.6122 4.6122 8.9486 8.9486 9.0747 9.0747 9.2571 9.2571 9.5548 9.5548 9.6448 9.6448 9.6461 9.6461 k = 0.4125 0.4125-0.0000 ( 6506 PWs) bands (ev): -35.0585 -35.0585 -35.0567 -35.0567 -35.0556 -35.0556 -16.3846 -16.3846 -16.3702 -16.3702 -16.3491 -16.3491 -16.0591 -16.0591 -16.0425 -16.0425 -16.0023 -16.0023 -15.9269 -15.9269 -15.8971 -15.8971 -15.8666 -15.8666 -10.1765 -10.1765 -10.1568 -10.1568 -10.0739 -10.0739 -2.6687 -2.6687 0.6526 0.6526 0.7458 0.7458 0.8109 0.8109 1.2039 1.2039 1.2577 1.2577 1.3066 1.3066 1.3546 1.3546 1.8152 1.8152 2.3480 2.3480 4.1812 4.1812 4.2241 4.2241 4.6244 4.6244 8.8726 8.8726 9.0247 9.0247 9.2527 9.2527 9.5145 9.5145 9.5899 9.5899 9.6505 9.6505 k = 0.4000 0.4000-0.0000 ( 6518 PWs) bands (ev): -35.0588 -35.0588 -35.0566 -35.0566 -35.0555 -35.0555 -16.3840 -16.3840 -16.3700 -16.3700 -16.3489 -16.3489 -16.0584 -16.0584 -16.0422 -16.0422 -16.0028 -16.0028 -15.9264 -15.9264 -15.8969 -15.8969 -15.8670 -15.8670 -10.1824 -10.1824 -10.1573 -10.1573 -10.0755 -10.0755 -2.6763 -2.6763 0.6651 0.6651 0.7555 0.7555 0.8220 0.8220 1.2000 1.2000 1.2553 1.2553 1.3100 1.3100 1.3687 1.3687 1.8275 1.8275 2.3395 2.3395 4.1917 4.1917 4.2451 4.2451 4.6383 4.6383 8.7952 8.7952 8.9704 8.9704 9.2479 9.2479 9.4500 9.4500 9.5494 9.5494 9.6567 9.6567 k = 0.3875 0.3875-0.0000 ( 6512 PWs) bands (ev): -35.0590 -35.0590 -35.0565 -35.0565 -35.0553 -35.0553 -16.3834 -16.3834 -16.3697 -16.3697 -16.3487 -16.3487 -16.0575 -16.0575 -16.0417 -16.0417 -16.0033 -16.0033 -15.9259 -15.9259 -15.8966 -15.8966 -15.8673 -15.8673 -10.1888 -10.1888 -10.1577 -10.1577 -10.0774 -10.0774 -2.6847 -2.6847 0.6789 0.6789 0.7660 0.7660 0.8344 0.8344 1.1935 1.1935 1.2549 1.2549 1.3139 1.3139 1.3851 1.3851 1.8408 1.8408 2.3303 2.3303 4.2040 4.2040 4.2688 4.2688 4.6540 4.6540 8.7171 8.7171 8.9124 8.9124 9.2426 9.2426 9.3696 9.3696 9.5180 9.5180 9.6637 9.6637 k = 0.3750 0.3750-0.0000 ( 6516 PWs) bands (ev): -35.0593 -35.0593 -35.0564 -35.0564 -35.0552 -35.0552 -16.3827 -16.3827 -16.3695 -16.3695 -16.3485 -16.3485 -16.0567 -16.0567 -16.0413 -16.0413 -16.0040 -16.0040 -15.9254 -15.9254 -15.8963 -15.8963 -15.8677 -15.8677 -10.1957 -10.1957 -10.1582 -10.1582 -10.0796 -10.0796 -2.6937 -2.6937 0.6939 0.6939 0.7771 0.7771 0.8479 0.8479 1.1846 1.1846 1.2564 1.2564 1.3184 1.3184 1.4039 1.4039 1.8547 1.8547 2.3205 2.3205 4.2181 4.2181 4.2952 4.2952 4.6712 4.6712 8.6388 8.6388 8.8511 8.8511 9.2371 9.2371 9.2821 9.2821 9.4884 9.4884 9.6711 9.6711 k = 0.3625 0.3625-0.0000 ( 6514 PWs) bands (ev): -35.0595 -35.0595 -35.0563 -35.0563 -35.0550 -35.0550 -16.3820 -16.3820 -16.3692 -16.3692 -16.3482 -16.3482 -16.0557 -16.0557 -16.0408 -16.0408 -16.0046 -16.0046 -15.9248 -15.9248 -15.8960 -15.8960 -15.8680 -15.8680 -10.2031 -10.2031 -10.1587 -10.1587 -10.0821 -10.0821 -2.7035 -2.7035 0.7098 0.7098 0.7885 0.7885 0.8626 0.8626 1.1740 1.1740 1.2593 1.2593 1.3233 1.3233 1.4249 1.4249 1.8693 1.8693 2.3103 2.3103 4.2343 4.2343 4.3241 4.3241 4.6901 4.6901 8.5607 8.5607 8.7872 8.7872 9.1900 9.1900 9.2321 9.2321 9.4586 9.4586 9.6789 9.6789 k = 0.3500 0.3500-0.0000 ( 6512 PWs) bands (ev): -35.0598 -35.0598 -35.0562 -35.0562 -35.0549 -35.0549 -16.3813 -16.3813 -16.3689 -16.3689 -16.3479 -16.3479 -16.0546 -16.0546 -16.0402 -16.0402 -16.0053 -16.0053 -15.9243 -15.9243 -15.8956 -15.8956 -15.8684 -15.8684 -10.2109 -10.2109 -10.1592 -10.1592 -10.0848 -10.0848 -2.7138 -2.7138 0.7264 0.7264 0.8003 0.8003 0.8784 0.8784 1.1623 1.1623 1.2632 1.2632 1.3287 1.3287 1.4482 1.4482 1.8843 1.8843 2.2998 2.2998 4.2526 4.2526 4.3555 4.3555 4.7105 4.7105 8.4831 8.4831 8.7211 8.7211 9.0963 9.0963 9.2267 9.2267 9.4277 9.4277 9.6871 9.6871 k = 0.3375 0.3375-0.0000 ( 6512 PWs) bands (ev): -35.0600 -35.0600 -35.0561 -35.0561 -35.0548 -35.0548 -16.3806 -16.3806 -16.3687 -16.3687 -16.3475 -16.3475 -16.0535 -16.0535 -16.0397 -16.0397 -16.0060 -16.0060 -15.9238 -15.9238 -15.8951 -15.8951 -15.8687 -15.8687 -10.2190 -10.2190 -10.1597 -10.1597 -10.0878 -10.0878 -2.7245 -2.7245 0.7432 0.7432 0.8122 0.8122 0.8954 0.8954 1.1498 1.1498 1.2677 1.2677 1.3346 1.3346 1.4735 1.4735 1.8996 1.8996 2.2891 2.2891 4.2732 4.2732 4.3891 4.3891 4.7324 4.7324 8.4064 8.4064 8.6532 8.6532 9.0012 9.0012 9.2217 9.2217 9.3956 9.3956 9.6864 9.6909 k = 0.3250 0.3250-0.0000 ( 6520 PWs) bands (ev): -35.0603 -35.0603 -35.0560 -35.0560 -35.0547 -35.0547 -16.3799 -16.3799 -16.3684 -16.3684 -16.3471 -16.3471 -16.0524 -16.0524 -16.0391 -16.0391 -16.0068 -16.0068 -15.9233 -15.9233 -15.8945 -15.8945 -15.8691 -15.8691 -10.2275 -10.2275 -10.1603 -10.1603 -10.0911 -10.0911 -2.7357 -2.7357 0.7599 0.7599 0.8242 0.8242 0.9138 0.9138 1.1370 1.1370 1.2729 1.2729 1.3408 1.3408 1.5008 1.5008 1.9151 1.9151 2.2785 2.2785 4.2963 4.2963 4.4250 4.4250 4.7557 4.7557 8.3307 8.3307 8.5838 8.5838 8.9055 8.9055 9.2171 9.2171 9.3622 9.3622 9.6633 9.6633 k = 0.3125 0.3125-0.0000 ( 6526 PWs) bands (ev): -35.0605 -35.0605 -35.0558 -35.0558 -35.0546 -35.0546 -16.3792 -16.3792 -16.3682 -16.3682 -16.3466 -16.3466 -16.0511 -16.0511 -16.0385 -16.0385 -16.0076 -16.0076 -15.9229 -15.9229 -15.8939 -15.8939 -15.8694 -15.8694 -10.2362 -10.2362 -10.1609 -10.1609 -10.0945 -10.0945 -2.7472 -2.7472 0.7762 0.7762 0.8361 0.8361 0.9336 0.9336 1.1241 1.1241 1.2786 1.2786 1.3473 1.3473 1.5298 1.5298 1.9307 1.9307 2.2681 2.2681 4.3220 4.3220 4.4629 4.4629 4.7803 4.7803 8.2563 8.2563 8.5133 8.5133 8.8099 8.8099 9.2129 9.2129 9.3274 9.3274 9.6396 9.6396 k = 0.3000 0.3000-0.0000 ( 6534 PWs) bands (ev): -35.0608 -35.0608 -35.0557 -35.0557 -35.0545 -35.0545 -16.3786 -16.3786 -16.3680 -16.3680 -16.3460 -16.3460 -16.0499 -16.0499 -16.0379 -16.0379 -16.0085 -16.0085 -15.9226 -15.9226 -15.8932 -15.8932 -15.8697 -15.8697 -10.2450 -10.2450 -10.1615 -10.1615 -10.0982 -10.0982 -2.7590 -2.7590 0.7916 0.7916 0.8477 0.8477 0.9548 0.9548 1.1113 1.1113 1.2847 1.2847 1.3542 1.3542 1.5604 1.5604 1.9463 1.9463 2.2579 2.2579 4.3504 4.3504 4.5028 4.5028 4.8061 4.8061 8.1833 8.1833 8.4420 8.4420 8.7148 8.7148 9.2093 9.2093 9.2912 9.2912 9.6155 9.6156 k = 0.2875 0.2875-0.0000 ( 6538 PWs) bands (ev): -35.0610 -35.0610 -35.0556 -35.0556 -35.0544 -35.0544 -16.3779 -16.3779 -16.3679 -16.3679 -16.3454 -16.3454 -16.0486 -16.0486 -16.0372 -16.0372 -16.0093 -16.0093 -15.9223 -15.9223 -15.8924 -15.8924 -15.8699 -15.8699 -10.2540 -10.2540 -10.1622 -10.1622 -10.1021 -10.1021 -2.7709 -2.7709 0.8059 0.8059 0.8587 0.8587 0.9772 0.9772 1.0991 1.0991 1.2914 1.2914 1.3614 1.3614 1.5923 1.5923 1.9619 1.9619 2.2482 2.2482 4.3816 4.3816 4.5445 4.5445 4.8330 4.8330 8.1119 8.1119 8.3701 8.3701 8.6207 8.6207 9.2063 9.2063 9.2537 9.2537 9.5914 9.5914 k = 0.2750 0.2750-0.0000 ( 6526 PWs) bands (ev): -35.0613 -35.0613 -35.0554 -35.0554 -35.0543 -35.0543 -16.3772 -16.3772 -16.3677 -16.3677 -16.3447 -16.3447 -16.0473 -16.0473 -16.0365 -16.0365 -16.0101 -16.0101 -15.9221 -15.9221 -15.8915 -15.8915 -15.8701 -15.8701 -10.2631 -10.2631 -10.1628 -10.1628 -10.1061 -10.1061 -2.7829 -2.7829 0.8191 0.8191 0.8691 0.8691 1.0001 1.0001 1.0882 1.0882 1.2985 1.2985 1.3688 1.3688 1.6252 1.6252 1.9773 1.9773 2.2390 2.2390 4.4156 4.4156 4.5878 4.5878 4.8610 4.8610 8.0425 8.0425 8.2980 8.2980 8.5278 8.5278 9.2028 9.2028 9.2157 9.2157 9.5674 9.5674 k = 0.2625 0.2625-0.0000 ( 6536 PWs) bands (ev): -35.0615 -35.0615 -35.0553 -35.0553 -35.0542 -35.0542 -16.3766 -16.3766 -16.3676 -16.3676 -16.3440 -16.3440 -16.0460 -16.0460 -16.0358 -16.0358 -16.0110 -16.0110 -15.9220 -15.9220 -15.8905 -15.8905 -15.8702 -15.8702 -10.2723 -10.2723 -10.1635 -10.1635 -10.1103 -10.1103 -2.7949 -2.7949 0.8311 0.8311 0.8787 0.8787 1.0212 1.0212 1.0808 1.0808 1.3061 1.3061 1.3765 1.3765 1.6590 1.6590 1.9925 1.9925 2.2304 2.2304 4.4526 4.4526 4.6327 4.6327 4.8899 4.8899 7.9749 7.9749 8.2259 8.2259 8.4364 8.4364 9.1725 9.1725 9.2035 9.2035 9.5435 9.5435 k = 0.2500 0.2500-0.0000 ( 6528 PWs) bands (ev): -35.0618 -35.0618 -35.0552 -35.0552 -35.0541 -35.0541 -16.3760 -16.3760 -16.3676 -16.3676 -16.3432 -16.3432 -16.0446 -16.0446 -16.0351 -16.0351 -16.0118 -16.0118 -15.9219 -15.9219 -15.8894 -15.8894 -15.8703 -15.8703 -10.2813 -10.2813 -10.1641 -10.1641 -10.1145 -10.1145 -2.8068 -2.8068 0.8419 0.8419 0.8874 0.8874 1.0332 1.0332 1.0840 1.0840 1.3142 1.3142 1.3843 1.3843 1.6934 1.6934 2.0074 2.0074 2.2226 2.2226 4.4924 4.4924 4.6787 4.6787 4.9197 4.9197 7.9095 7.9095 8.1540 8.1540 8.3467 8.3467 9.1302 9.1302 9.2025 9.2025 9.5200 9.5200 k = 0.2375 0.2375-0.0000 ( 6524 PWs) bands (ev): -35.0620 -35.0620 -35.0550 -35.0550 -35.0540 -35.0540 -16.3754 -16.3754 -16.3676 -16.3676 -16.3423 -16.3423 -16.0433 -16.0433 -16.0344 -16.0344 -16.0127 -16.0127 -15.9220 -15.9220 -15.8882 -15.8882 -15.8704 -15.8704 -10.2904 -10.2904 -10.1648 -10.1648 -10.1188 -10.1188 -2.8186 -2.8186 0.8516 0.8516 0.8950 0.8950 1.0315 1.0315 1.1022 1.1022 1.3228 1.3228 1.3922 1.3922 1.7282 1.7282 2.0219 2.0219 2.2155 2.2155 4.5351 4.5351 4.7259 4.7259 4.9502 4.9502 7.8463 7.8463 8.0827 8.0827 8.2589 8.2589 9.0859 9.0859 9.2024 9.2024 9.4970 9.4970 k = 0.2250 0.2250-0.0000 ( 6524 PWs) bands (ev): -35.0622 -35.0622 -35.0549 -35.0549 -35.0539 -35.0539 -16.3749 -16.3749 -16.3676 -16.3676 -16.3415 -16.3415 -16.0420 -16.0420 -16.0338 -16.0338 -16.0135 -16.0135 -15.9221 -15.9221 -15.8869 -15.8869 -15.8705 -15.8705 -10.2993 -10.2993 -10.1654 -10.1654 -10.1231 -10.1231 -2.8302 -2.8302 0.8602 0.8602 0.9016 0.9016 1.0235 1.0235 1.1278 1.1278 1.3319 1.3319 1.4002 1.4002 1.7630 1.7630 2.0361 2.0361 2.2092 2.2092 4.5806 4.5806 4.7739 4.7739 4.9812 4.9812 7.7856 7.7856 8.0121 8.0121 8.1732 8.1732 9.0395 9.0395 9.2031 9.2031 9.4746 9.4746 k = 0.2125 0.2125-0.0000 ( 6526 PWs) bands (ev): -35.0624 -35.0624 -35.0547 -35.0547 -35.0539 -35.0539 -16.3744 -16.3744 -16.3677 -16.3677 -16.3406 -16.3406 -16.0408 -16.0408 -16.0331 -16.0331 -16.0142 -16.0142 -15.9224 -15.9224 -15.8856 -15.8856 -15.8705 -15.8705 -10.3080 -10.3080 -10.1661 -10.1661 -10.1274 -10.1274 -2.8415 -2.8415 0.8678 0.8678 0.9072 0.9072 1.0137 1.0137 1.1559 1.1559 1.3414 1.3414 1.4083 1.4083 1.7977 1.7977 2.0497 2.0497 2.2038 2.2038 4.6288 4.6288 4.8226 4.8226 5.0127 5.0127 7.7273 7.7273 7.9426 7.9426 8.0898 8.0898 8.9910 8.9910 9.2044 9.2044 9.4528 9.4528 k = 0.2000 0.2000-0.0000 ( 6542 PWs) bands (ev): -35.0627 -35.0627 -35.0546 -35.0546 -35.0538 -35.0538 -16.3739 -16.3739 -16.3679 -16.3679 -16.3397 -16.3397 -16.0396 -16.0396 -16.0325 -16.0325 -16.0149 -16.0149 -15.9226 -15.9226 -15.8843 -15.8843 -15.8705 -15.8705 -10.3165 -10.3165 -10.1667 -10.1667 -10.1317 -10.1317 -2.8525 -2.8525 0.8746 0.8746 0.9116 0.9116 1.0036 1.0036 1.1847 1.1847 1.3511 1.3511 1.4165 1.4165 1.8320 1.8320 2.0629 2.0629 2.1992 2.1992 4.6794 4.6794 4.8715 4.8715 5.0446 5.0446 7.6717 7.6717 7.8743 7.8743 8.0087 8.0087 8.9405 8.9405 9.2064 9.2064 9.4318 9.4318 k = 0.1875 0.1875-0.0000 ( 6545 PWs) bands (ev): -35.0629 -35.0629 -35.0545 -35.0545 -35.0538 -35.0538 -16.3735 -16.3735 -16.3680 -16.3680 -16.3389 -16.3389 -16.0384 -16.0384 -16.0319 -16.0319 -16.0155 -16.0155 -15.9229 -15.9229 -15.8829 -15.8829 -15.8705 -15.8705 -10.3248 -10.3248 -10.1673 -10.1673 -10.1359 -10.1359 -2.8631 -2.8631 0.8805 0.8805 0.9151 0.9151 0.9936 0.9936 1.2137 1.2137 1.3612 1.3612 1.4246 1.4246 1.8656 1.8656 2.0755 2.0755 2.1956 2.1956 4.7323 4.7323 4.9205 4.9205 5.0765 5.0765 7.6189 7.6189 7.8076 7.8076 7.9301 7.9301 8.8880 8.8880 9.2090 9.2090 9.4117 9.4117 k = 0.1750 0.1750-0.0000 ( 6545 PWs) bands (ev): -35.0631 -35.0631 -35.0544 -35.0544 -35.0537 -35.0537 -16.3731 -16.3731 -16.3682 -16.3682 -16.3380 -16.3380 -16.0373 -16.0373 -16.0314 -16.0314 -16.0160 -16.0160 -15.9233 -15.9233 -15.8815 -15.8815 -15.8704 -15.8704 -10.3327 -10.3327 -10.1679 -10.1679 -10.1400 -10.1400 -2.8733 -2.8733 0.8857 0.8857 0.9176 0.9176 0.9840 0.9840 1.2421 1.2421 1.3713 1.3713 1.4327 1.4327 1.8983 1.8983 2.0876 2.0876 2.1928 2.1928 4.7872 4.7872 4.9692 4.9692 5.1085 5.1085 7.5689 7.5689 7.7428 7.7428 7.8542 7.8542 8.8336 8.8336 9.2122 9.2122 9.3925 9.3926 k = 0.1625 0.1625-0.0000 ( 6561 PWs) bands (ev): -35.0633 -35.0633 -35.0542 -35.0542 -35.0537 -35.0537 -16.3727 -16.3727 -16.3684 -16.3684 -16.3371 -16.3371 -16.0363 -16.0363 -16.0309 -16.0309 -16.0165 -16.0165 -15.9237 -15.9237 -15.8801 -15.8801 -15.8704 -15.8704 -10.3403 -10.3403 -10.1685 -10.1685 -10.1440 -10.1440 -2.8829 -2.8829 0.8903 0.8903 0.9193 0.9193 0.9750 0.9750 1.2698 1.2698 1.3814 1.3814 1.4408 1.4408 1.9299 1.9299 2.0990 2.0990 2.1909 2.1909 4.8437 4.8437 5.0172 5.0172 5.1402 5.1402 7.5218 7.5218 7.6801 7.6801 7.7810 7.7810 8.7776 8.7776 9.2156 9.2156 9.3744 9.3745 k = 0.1500 0.1500-0.0000 ( 6555 PWs) bands (ev): -35.0635 -35.0635 -35.0541 -35.0541 -35.0536 -35.0536 -16.3723 -16.3723 -16.3686 -16.3686 -16.3363 -16.3363 -16.0354 -16.0354 -16.0305 -16.0305 -16.0168 -16.0168 -15.9240 -15.9240 -15.8788 -15.8788 -15.8703 -15.8703 -10.3475 -10.3475 -10.1690 -10.1690 -10.1478 -10.1478 -2.8921 -2.8921 0.8942 0.8942 0.9202 0.9202 0.9665 0.9665 1.2963 1.2963 1.3913 1.3913 1.4488 1.4488 1.9599 1.9599 2.1099 2.1099 2.1897 2.1897 4.9013 4.9013 5.0642 5.0642 5.1714 5.1714 7.4779 7.4779 7.6198 7.6198 7.7107 7.7107 8.7205 8.7205 9.2195 9.2195 9.3574 9.3574 k = 0.1375 0.1375-0.0000 ( 6545 PWs) bands (ev): -35.0636 -35.0636 -35.0540 -35.0540 -35.0536 -35.0536 -16.3720 -16.3720 -16.3688 -16.3688 -16.3355 -16.3355 -16.0345 -16.0345 -16.0302 -16.0302 -16.0170 -16.0170 -15.9244 -15.9244 -15.8774 -15.8774 -15.8702 -15.8702 -10.3543 -10.3543 -10.1695 -10.1695 -10.1515 -10.1515 -2.9007 -2.9007 0.8975 0.8975 0.9204 0.9204 0.9586 0.9586 1.3215 1.3215 1.4009 1.4009 1.4567 1.4567 1.9882 1.9882 2.1202 2.1202 2.1894 2.1894 4.9594 4.9594 5.1098 5.1098 5.2020 5.2020 7.4371 7.4371 7.5623 7.5623 7.6436 7.6436 8.6629 8.6629 9.2236 9.2236 9.3415 9.3416 k = 0.1250 0.1250-0.0000 ( 6551 PWs) bands (ev): -35.0638 -35.0638 -35.0539 -35.0539 -35.0535 -35.0535 -16.3717 -16.3717 -16.3690 -16.3690 -16.3347 -16.3347 -16.0338 -16.0338 -16.0300 -16.0300 -16.0171 -16.0171 -15.9247 -15.9247 -15.8762 -15.8762 -15.8701 -15.8701 -10.3606 -10.3606 -10.1700 -10.1700 -10.1549 -10.1549 -2.9086 -2.9086 0.9003 0.9003 0.9201 0.9201 0.9515 0.9515 1.3449 1.3449 1.4101 1.4101 1.4646 1.4646 2.0143 2.0143 2.1301 2.1301 2.1898 2.1898 5.0176 5.0176 5.1536 5.1536 5.2318 5.2318 7.3996 7.3996 7.5079 7.5079 7.5796 7.5796 8.6056 8.6056 9.2278 9.2278 9.3270 9.3272 k = 0.1125 0.1125-0.0000 ( 6543 PWs) bands (ev): -35.0639 -35.0639 -35.0538 -35.0538 -35.0535 -35.0535 -16.3714 -16.3714 -16.3692 -16.3692 -16.3341 -16.3341 -16.0331 -16.0331 -16.0298 -16.0298 -16.0170 -16.0170 -15.9251 -15.9251 -15.8750 -15.8750 -15.8700 -15.8700 -10.3664 -10.3664 -10.1704 -10.1704 -10.1580 -10.1580 -2.9159 -2.9159 0.9026 0.9026 0.9193 0.9193 0.9451 0.9451 1.3664 1.3664 1.4186 1.4186 1.4723 1.4723 2.0379 2.0379 2.1396 2.1396 2.1908 2.1908 5.0750 5.0750 5.1951 5.1951 5.2603 5.2603 7.3654 7.3654 7.4570 7.4570 7.5192 7.5192 8.5494 8.5494 9.2319 9.2319 9.3137 9.3196 k = 0.1000 0.1000-0.0000 ( 6547 PWs) bands (ev): -35.0641 -35.0641 -35.0537 -35.0537 -35.0535 -35.0535 -16.3712 -16.3712 -16.3694 -16.3694 -16.3334 -16.3334 -16.0325 -16.0325 -16.0298 -16.0298 -16.0169 -16.0169 -15.9254 -15.9254 -15.8740 -15.8740 -15.8699 -15.8699 -10.3717 -10.3717 -10.1709 -10.1709 -10.1609 -10.1609 -2.9225 -2.9225 0.9044 0.9044 0.9182 0.9182 0.9395 0.9395 1.3858 1.3858 1.4265 1.4265 1.4799 1.4799 2.0585 2.0585 2.1491 2.1491 2.1922 2.1922 5.1306 5.1306 5.2338 5.2338 5.2874 5.2874 7.3346 7.3346 7.4099 7.4099 7.4627 7.4627 8.4954 8.4954 9.2360 9.2360 9.3015 9.3083 k = 0.0875 0.0875-0.0000 ( 6553 PWs) bands (ev): -35.0642 -35.0642 -35.0536 -35.0536 -35.0535 -35.0535 -16.3710 -16.3710 -16.3696 -16.3696 -16.3328 -16.3328 -16.0319 -16.0319 -16.0298 -16.0298 -16.0168 -16.0168 -15.9257 -15.9257 -15.8730 -15.8730 -15.8698 -15.8698 -10.3764 -10.3764 -10.1712 -10.1712 -10.1636 -10.1636 -2.9284 -2.9284 0.9058 0.9058 0.9168 0.9168 0.9349 0.9349 1.4029 1.4029 1.4335 1.4335 1.4872 1.4872 2.0760 2.0760 2.1586 2.1586 2.1941 2.1941 5.1836 5.1836 5.2695 5.2695 5.3127 5.3127 7.3073 7.3073 7.3670 7.3670 7.4104 7.4104 8.4446 8.4446 9.2399 9.2399 9.2909 9.2982 k = 0.0750 0.0750-0.0000 ( 6547 PWs) bands (ev): -35.0643 -35.0643 -35.0535 -35.0535 -35.0534 -35.0534 -16.3708 -16.3708 -16.3698 -16.3698 -16.3323 -16.3323 -16.0315 -16.0315 -16.0298 -16.0298 -16.0166 -16.0166 -15.9260 -15.9260 -15.8721 -15.8721 -15.8698 -15.8698 -10.3806 -10.3806 -10.1715 -10.1715 -10.1659 -10.1659 -2.9336 -2.9336 0.9067 0.9067 0.9151 0.9151 0.9312 0.9312 1.4176 1.4176 1.4396 1.4396 1.4943 1.4943 2.0900 2.0900 2.1681 2.1681 2.1961 2.1961 5.2325 5.2325 5.3016 5.3016 5.3361 5.3361 7.2834 7.2834 7.3288 7.3288 7.3630 7.3630 8.3980 8.3980 9.2434 9.2435 9.2909 9.3002 k = 0.0625 0.0625-0.0000 ( 6551 PWs) bands (ev): -35.0644 -35.0644 -35.0535 -35.0535 -35.0534 -35.0534 -16.3707 -16.3707 -16.3699 -16.3699 -16.3319 -16.3319 -16.0311 -16.0311 -16.0299 -16.0299 -16.0164 -16.0164 -15.9262 -15.9262 -15.8713 -15.8713 -15.8697 -15.8697 -10.3841 -10.3841 -10.1718 -10.1718 -10.1678 -10.1678 -2.9380 -2.9380 0.9073 0.9073 0.9133 0.9133 0.9285 0.9285 1.4299 1.4299 1.4448 1.4448 1.5008 1.5008 2.1009 2.1009 2.1775 2.1775 2.1981 2.1981 5.2761 5.2761 5.3301 5.3301 5.3570 5.3570 7.2632 7.2632 7.2956 7.2956 7.3209 7.3209 8.3566 8.3566 9.2464 9.2476 9.2752 9.2815 k = 0.0500 0.0500-0.0000 ( 6549 PWs) bands (ev): -35.0644 -35.0644 -35.0534 -35.0534 -35.0534 -35.0534 -16.3705 -16.3705 -16.3700 -16.3700 -16.3315 -16.3315 -16.0308 -16.0308 -16.0300 -16.0300 -16.0162 -16.0162 -15.9264 -15.9264 -15.8707 -15.8707 -15.8696 -15.8696 -10.3871 -10.3871 -10.1720 -10.1720 -10.1695 -10.1695 -2.9416 -2.9416 0.9076 0.9076 0.9115 0.9115 0.9266 0.9266 1.4398 1.4398 1.4491 1.4491 1.5066 1.5066 2.1089 2.1089 2.1861 2.1861 2.2000 2.2000 5.3124 5.3124 5.3552 5.3552 5.3753 5.3753 7.2465 7.2465 7.2678 7.2678 7.2849 7.2849 8.3214 8.3214 9.2497 9.2502 9.2688 9.2780 k = 0.0375 0.0375-0.0000 ( 6565 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3705 -16.3705 -16.3702 -16.3702 -16.3312 -16.3312 -16.0306 -16.0306 -16.0301 -16.0301 -16.0160 -16.0160 -15.9266 -15.9266 -15.8702 -15.8702 -15.8696 -15.8696 -10.3893 -10.3893 -10.1722 -10.1722 -10.1708 -10.1708 -2.9445 -2.9445 0.9077 0.9077 0.9099 0.9099 0.9254 0.9254 1.4473 1.4473 1.4524 1.4524 1.5114 1.5114 2.1145 2.1145 2.1935 2.1935 2.2016 2.2016 5.3400 5.3400 5.3770 5.3770 5.3903 5.3903 7.2335 7.2335 7.2457 7.2457 7.2558 7.2558 8.2931 8.2931 9.2509 9.2538 9.2621 9.2704 k = 0.0250 0.0250-0.0000 ( 6573 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3703 -16.3703 -16.3310 -16.3310 -16.0304 -16.0304 -16.0302 -16.0302 -16.0159 -16.0159 -15.9267 -15.9267 -15.8698 -15.8698 -15.8695 -15.8695 -10.3910 -10.3910 -10.1723 -10.1723 -10.1717 -10.1717 -2.9465 -2.9465 0.9076 0.9076 0.9086 0.9086 0.9247 0.9247 1.4526 1.4526 1.4548 1.4548 1.5150 1.5150 2.1182 2.1182 2.1992 2.1992 2.2029 2.2029 5.3583 5.3583 5.3948 5.3948 5.4015 5.4015 7.2242 7.2242 7.2297 7.2297 7.2344 7.2344 8.2724 8.2724 9.2508 9.2530 9.2588 9.2616 k = 0.0125 0.0125-0.0000 ( 6615 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3704 -16.3704 -16.3309 -16.3309 -16.0303 -16.0303 -16.0303 -16.0303 -16.0159 -16.0159 -15.9269 -15.9269 -15.8696 -15.8696 -15.8696 -15.8696 -10.3920 -10.3920 -10.1724 -10.1724 -10.1723 -10.1723 -2.9477 -2.9477 0.9076 0.9076 0.9078 0.9078 0.9243 0.9243 1.4557 1.4557 1.4562 1.4562 1.5173 1.5173 2.1203 2.1203 2.2027 2.2027 2.2036 2.2036 5.3684 5.3684 5.4067 5.4067 5.4085 5.4085 7.2186 7.2186 7.2200 7.2200 7.2212 7.2212 8.2598 8.2598 9.2493 9.2503 9.2508 9.2537 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -35.0646 -35.0646 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3704 -16.3704 -16.3309 -16.3309 -16.0303 -16.0303 -16.0303 -16.0303 -16.0159 -16.0159 -15.9269 -15.9269 -15.8696 -15.8696 -15.8696 -15.8696 -10.3923 -10.3923 -10.1725 -10.1725 -10.1725 -10.1725 -2.9481 -2.9481 0.9076 0.9076 0.9076 0.9076 0.9242 0.9242 1.4567 1.4567 1.4567 1.4567 1.5181 1.5181 2.1210 2.1210 2.2039 2.2039 2.2039 2.2039 5.3717 5.3717 5.4109 5.4109 5.4109 5.4109 7.2165 7.2165 7.2168 7.2168 7.2168 7.2168 8.2556 8.2556 9.2486 9.2487 9.2489 9.2498 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -35.0646 -35.0646 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3704 -16.3704 -16.3309 -16.3309 -16.0303 -16.0303 -16.0303 -16.0303 -16.0159 -16.0159 -15.9269 -15.9269 -15.8696 -15.8696 -15.8696 -15.8696 -10.3923 -10.3923 -10.1725 -10.1725 -10.1725 -10.1725 -2.9481 -2.9481 0.9076 0.9076 0.9076 0.9076 0.9242 0.9242 1.4567 1.4567 1.4567 1.4567 1.5181 1.5181 2.1210 2.1210 2.2039 2.2039 2.2039 2.2039 5.3717 5.3717 5.4109 5.4109 5.4109 5.4109 7.2165 7.2165 7.2168 7.2168 7.2168 7.2168 8.2556 8.2556 9.2486 9.2486 9.2487 9.2492 k = 0.0104 0.0104 0.0104 ( 6616 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3704 -16.3704 -16.3309 -16.3309 -16.0303 -16.0303 -16.0303 -16.0303 -16.0159 -16.0159 -15.9269 -15.9269 -15.8696 -15.8696 -15.8696 -15.8696 -10.3920 -10.3920 -10.1723 -10.1723 -10.1723 -10.1723 -2.9477 -2.9477 0.9076 0.9076 0.9078 0.9078 0.9243 0.9243 1.4557 1.4557 1.4561 1.4561 1.5173 1.5173 2.1203 2.1203 2.2026 2.2026 2.2037 2.2037 5.3683 5.3683 5.4067 5.4067 5.4082 5.4082 7.2194 7.2194 7.2197 7.2197 7.2210 7.2210 8.2600 8.2600 9.2496 9.2499 9.2505 9.2507 k = 0.0208 0.0208 0.0208 ( 6574 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3703 -16.3703 -16.3310 -16.3310 -16.0304 -16.0304 -16.0302 -16.0302 -16.0159 -16.0159 -15.9267 -15.9267 -15.8698 -15.8698 -15.8695 -15.8695 -10.3909 -10.3909 -10.1720 -10.1720 -10.1720 -10.1720 -2.9464 -2.9464 0.9079 0.9079 0.9085 0.9085 0.9247 0.9247 1.4527 1.4527 1.4544 1.4544 1.5149 1.5149 2.1181 2.1181 2.1988 2.1988 2.2030 2.2030 5.3579 5.3579 5.3947 5.3947 5.4004 5.4004 7.2279 7.2279 7.2282 7.2282 7.2337 7.2337 8.2732 8.2732 9.2523 9.2542 9.2569 9.2587 k = 0.0312 0.0312 0.0312 ( 6565 PWs) bands (ev): -35.0645 -35.0645 -35.0534 -35.0534 -35.0534 -35.0534 -16.3704 -16.3704 -16.3702 -16.3702 -16.3313 -16.3313 -16.0306 -16.0306 -16.0301 -16.0301 -16.0161 -16.0161 -15.9266 -15.9266 -15.8702 -15.8702 -15.8696 -15.8696 -10.3892 -10.3892 -10.1715 -10.1715 -10.1714 -10.1714 -2.9443 -2.9443 0.9082 0.9082 0.9095 0.9095 0.9253 0.9253 1.4477 1.4477 1.4515 1.4515 1.5110 1.5110 2.1141 2.1141 2.1928 2.1928 2.2019 2.2019 5.3396 5.3396 5.3766 5.3766 5.3875 5.3875 7.2419 7.2419 7.2422 7.2422 7.2543 7.2543 8.2949 8.2949 9.2548 9.2614 9.2660 9.2697 k = 0.0417 0.0417 0.0417 ( 6550 PWs) bands (ev): -35.0644 -35.0644 -35.0534 -35.0534 -35.0534 -35.0534 -16.3705 -16.3705 -16.3701 -16.3701 -16.3316 -16.3316 -16.0309 -16.0309 -16.0299 -16.0299 -16.0162 -16.0162 -15.9264 -15.9264 -15.8708 -15.8708 -15.8696 -15.8696 -10.3868 -10.3868 -10.1707 -10.1707 -10.1706 -10.1706 -2.9413 -2.9413 0.9086 0.9086 0.9110 0.9110 0.9262 0.9262 1.4408 1.4408 1.4472 1.4472 1.5059 1.5059 2.1078 2.1078 2.1853 2.1853 2.2005 2.2005 5.3124 5.3124 5.3544 5.3544 5.3699 5.3699 7.2612 7.2612 7.2616 7.2616 7.2821 7.2821 8.3249 8.3249 9.2545 9.2551 9.2717 9.2745 k = 0.0521 0.0521 0.0521 ( 6550 PWs) bands (ev): -35.0644 -35.0644 -35.0534 -35.0534 -35.0534 -35.0534 -16.3706 -16.3706 -16.3699 -16.3699 -16.3320 -16.3320 -16.0313 -16.0313 -16.0297 -16.0297 -16.0164 -16.0164 -15.9262 -15.9262 -15.8715 -15.8715 -15.8696 -15.8696 -10.3838 -10.3838 -10.1697 -10.1697 -10.1696 -10.1696 -2.9375 -2.9375 0.9088 0.9088 0.9128 0.9128 0.9275 0.9275 1.4321 1.4321 1.4413 1.4413 1.4997 1.4997 2.0985 2.0985 2.1770 2.1770 2.1987 2.1987 5.2765 5.2765 5.3294 5.3294 5.3478 5.3478 7.2855 7.2855 7.2860 7.2860 7.3163 7.3163 8.3626 8.3626 9.2554 9.2560 9.2802 9.2817 k = 0.0625 0.0625 0.0625 ( 6544 PWs) bands (ev): -35.0643 -35.0643 -35.0535 -35.0535 -35.0535 -35.0535 -16.3708 -16.3708 -16.3698 -16.3698 -16.3324 -16.3324 -16.0319 -16.0319 -16.0295 -16.0295 -16.0166 -16.0166 -15.9260 -15.9260 -15.8723 -15.8723 -15.8697 -15.8697 -10.3800 -10.3800 -10.1686 -10.1686 -10.1684 -10.1684 -2.9329 -2.9329 0.9090 0.9090 0.9149 0.9149 0.9290 0.9290 1.4216 1.4216 1.4337 1.4337 1.4928 1.4928 2.0855 2.0855 2.1689 2.1689 2.1966 2.1966 5.2333 5.2333 5.3017 5.3017 5.3218 5.3218 7.3146 7.3146 7.3152 7.3152 7.3562 7.3562 8.4075 8.4075 9.2569 9.2570 9.2919 9.2937 k = 0.0729 0.0729 0.0729 ( 6541 PWs) bands (ev): -35.0642 -35.0642 -35.0535 -35.0535 -35.0535 -35.0535 -16.3709 -16.3709 -16.3696 -16.3696 -16.3329 -16.3329 -16.0325 -16.0325 -16.0293 -16.0293 -16.0167 -16.0167 -15.9257 -15.9257 -15.8732 -15.8732 -15.8697 -15.8697 -10.3757 -10.3757 -10.1672 -10.1672 -10.1670 -10.1670 -2.9274 -2.9274 0.9088 0.9088 0.9172 0.9172 0.9309 0.9309 1.4094 1.4094 1.4242 1.4242 1.4855 1.4855 2.0683 2.0683 2.1617 2.1617 2.1942 2.1942 5.1845 5.1845 5.2714 5.2714 5.2923 5.2923 7.3482 7.3482 7.3488 7.3488 7.4009 7.4009 8.4588 8.4588 9.2590 9.2592 9.3055 9.3071 k = 0.0833 0.0833 0.0833 ( 6547 PWs) bands (ev): -35.0640 -35.0640 -35.0536 -35.0536 -35.0536 -35.0536 -16.3712 -16.3712 -16.3695 -16.3695 -16.3335 -16.3335 -16.0334 -16.0334 -16.0291 -16.0291 -16.0169 -16.0169 -15.9254 -15.9254 -15.8742 -15.8742 -15.8698 -15.8698 -10.3707 -10.3707 -10.1656 -10.1656 -10.1654 -10.1654 -2.9211 -2.9211 0.9083 0.9083 0.9196 0.9196 0.9329 0.9329 1.3957 1.3957 1.4125 1.4125 1.4780 1.4780 2.0468 2.0468 2.1557 2.1557 2.1917 2.1917 5.1315 5.1315 5.2384 5.2384 5.2597 5.2597 7.3860 7.3860 7.3867 7.3867 7.4498 7.4498 8.5155 8.5155 9.2624 9.2624 9.3210 9.3224 k = 0.0938 0.0937 0.0937 ( 6553 PWs) bands (ev): -35.0639 -35.0639 -35.0537 -35.0537 -35.0537 -35.0537 -16.3714 -16.3714 -16.3693 -16.3693 -16.3342 -16.3342 -16.0344 -16.0344 -16.0288 -16.0288 -16.0171 -16.0171 -15.9251 -15.9251 -15.8754 -15.8754 -15.8699 -15.8699 -10.3651 -10.3651 -10.1639 -10.1639 -10.1635 -10.1635 -2.9140 -2.9140 0.9074 0.9074 0.9219 0.9219 0.9351 0.9351 1.3806 1.3806 1.3989 1.3989 1.4705 1.4705 2.0212 2.0212 2.1507 2.1507 2.1891 2.1891 5.0755 5.0755 5.2032 5.2032 5.2245 5.2245 7.4276 7.4276 7.4284 7.4284 7.5022 7.5022 8.5767 8.5767 9.2674 9.2675 9.3384 9.3395 k = 0.1042 0.1042 0.1042 ( 6550 PWs) bands (ev): -35.0637 -35.0637 -35.0537 -35.0537 -35.0537 -35.0537 -16.3717 -16.3717 -16.3692 -16.3692 -16.3349 -16.3349 -16.0356 -16.0356 -16.0284 -16.0284 -16.0171 -16.0171 -15.9248 -15.9248 -15.8765 -15.8765 -15.8700 -15.8700 -10.3590 -10.3590 -10.1620 -10.1620 -10.1615 -10.1615 -2.9060 -2.9060 0.9060 0.9060 0.9240 0.9240 0.9373 0.9373 1.3644 1.3644 1.3834 1.3834 1.4630 1.4630 1.9921 1.9921 2.1467 2.1467 2.1864 2.1864 5.0175 5.0175 5.1660 5.1660 5.1873 5.1873 7.4730 7.4730 7.4738 7.4738 7.5578 7.5578 8.6411 8.6411 9.2749 9.2749 9.3573 9.3582 k = 0.1146 0.1146 0.1146 ( 6544 PWs) bands (ev): -35.0636 -35.0636 -35.0538 -35.0538 -35.0538 -35.0538 -16.3721 -16.3721 -16.3690 -16.3690 -16.3356 -16.3356 -16.0369 -16.0369 -16.0281 -16.0281 -16.0171 -16.0171 -15.9245 -15.9245 -15.8778 -15.8778 -15.8700 -15.8700 -10.3523 -10.3523 -10.1599 -10.1599 -10.1593 -10.1593 -2.8973 -2.8973 0.9040 0.9040 0.9256 0.9256 0.9392 0.9392 1.3474 1.3474 1.3663 1.3663 1.4556 1.4556 1.9599 1.9599 2.1434 2.1434 2.1838 2.1838 4.9585 4.9585 5.1272 5.1272 5.1483 5.1483 7.5217 7.5217 7.5226 7.5226 7.6162 7.6162 8.7071 8.7071 9.2856 9.2856 9.3779 9.3790 k = 0.1250 0.1250 0.1250 ( 6544 PWs) bands (ev): -35.0634 -35.0634 -35.0539 -35.0539 -35.0539 -35.0539 -16.3724 -16.3724 -16.3689 -16.3689 -16.3364 -16.3364 -16.0384 -16.0384 -16.0276 -16.0276 -16.0171 -16.0171 -15.9242 -15.9242 -15.8790 -15.8790 -15.8700 -15.8700 -10.3450 -10.3450 -10.1576 -10.1576 -10.1570 -10.1570 -2.8879 -2.8879 0.9014 0.9014 0.9266 0.9266 0.9407 0.9407 1.3298 1.3298 1.3479 1.3479 1.4482 1.4482 1.9249 1.9249 2.1408 2.1408 2.1813 2.1813 4.8991 4.8991 5.0872 5.0872 5.1080 5.1080 7.5736 7.5736 7.5745 7.5745 7.6770 7.6770 8.7730 8.7730 9.3008 9.3008 9.4004 9.4016 k = 0.1354 0.1354 0.1354 ( 6538 PWs) bands (ev): -35.0632 -35.0632 -35.0540 -35.0540 -35.0540 -35.0540 -16.3728 -16.3728 -16.3688 -16.3688 -16.3372 -16.3372 -16.0401 -16.0401 -16.0272 -16.0272 -16.0169 -16.0169 -15.9240 -15.9240 -15.8803 -15.8803 -15.8701 -15.8701 -10.3373 -10.3373 -10.1552 -10.1552 -10.1544 -10.1544 -2.8777 -2.8777 0.8982 0.8982 0.9266 0.9266 0.9416 0.9416 1.3120 1.3120 1.3287 1.3287 1.4407 1.4407 1.8876 1.8876 2.1388 2.1388 2.1790 2.1790 4.8401 4.8401 5.0463 5.0463 5.0668 5.0668 7.6284 7.6284 7.6294 7.6294 7.7401 7.7401 8.8365 8.8365 9.3220 9.3220 9.4243 9.4257 k = 0.1458 0.1458 0.1458 ( 6535 PWs) bands (ev): -35.0630 -35.0630 -35.0541 -35.0541 -35.0541 -35.0541 -16.3733 -16.3733 -16.3687 -16.3687 -16.3381 -16.3381 -16.0420 -16.0420 -16.0267 -16.0267 -16.0168 -16.0168 -15.9238 -15.9238 -15.8815 -15.8815 -15.8701 -15.8701 -10.3292 -10.3292 -10.1526 -10.1526 -10.1518 -10.1518 -2.8667 -2.8667 0.8941 0.8941 0.9252 0.9252 0.9414 0.9414 1.2944 1.2944 1.3091 1.3091 1.4331 1.4331 1.8481 1.8481 2.1373 2.1373 2.1769 2.1769 4.7821 4.7821 5.0049 5.0049 5.0250 5.0250 7.6860 7.6860 7.6869 7.6869 7.8052 7.8052 8.8955 8.8955 9.3509 9.3509 9.4498 9.4512 k = 0.1562 0.1562 0.1562 ( 6520 PWs) bands (ev): -35.0628 -35.0628 -35.0541 -35.0541 -35.0541 -35.0541 -16.3737 -16.3737 -16.3687 -16.3687 -16.3389 -16.3389 -16.0439 -16.0439 -16.0261 -16.0261 -16.0165 -16.0165 -15.9237 -15.9237 -15.8827 -15.8827 -15.8701 -15.8701 -10.3206 -10.3206 -10.1499 -10.1499 -10.1489 -10.1489 -2.8550 -2.8550 0.8892 0.8892 0.9222 0.9222 0.9399 0.9399 1.2775 1.2775 1.2896 1.2896 1.4253 1.4253 1.8068 1.8068 2.1364 2.1364 2.1752 2.1752 4.7255 4.7255 4.9632 4.9632 4.9829 4.9829 7.7461 7.7461 7.7471 7.7471 7.8722 7.8722 8.9478 8.9478 9.3890 9.3890 9.4767 9.4777 k = 0.1667 0.1667 0.1667 ( 6526 PWs) bands (ev): -35.0626 -35.0626 -35.0542 -35.0542 -35.0542 -35.0542 -16.3743 -16.3743 -16.3688 -16.3688 -16.3398 -16.3398 -16.0460 -16.0460 -16.0256 -16.0256 -16.0163 -16.0163 -15.9238 -15.9238 -15.8837 -15.8837 -15.8702 -15.8702 -10.3116 -10.3116 -10.1470 -10.1470 -10.1460 -10.1460 -2.8427 -2.8427 0.8833 0.8833 0.9171 0.9171 0.9366 0.9366 1.2618 1.2618 1.2707 1.2707 1.4174 1.4174 1.7640 1.7640 2.1360 2.1360 2.1738 2.1738 4.6707 4.6707 4.9214 4.9214 4.9408 4.9408 7.8086 7.8086 7.8095 7.8095 7.9409 7.9409 8.9922 8.9922 9.4370 9.4370 9.5045 9.5060 k = 0.1771 0.1771 0.1771 ( 6526 PWs) bands (ev): -35.0624 -35.0624 -35.0543 -35.0543 -35.0543 -35.0543 -16.3748 -16.3748 -16.3689 -16.3689 -16.3406 -16.3406 -16.0483 -16.0483 -16.0250 -16.0250 -16.0160 -16.0160 -15.9240 -15.9240 -15.8846 -15.8846 -15.8702 -15.8702 -10.3022 -10.3022 -10.1441 -10.1441 -10.1429 -10.1429 -2.8296 -2.8296 0.8764 0.8764 0.9095 0.9095 0.9312 0.9312 1.2476 1.2476 1.2529 1.2529 1.4094 1.4094 1.7200 1.7200 2.1363 2.1363 2.1730 2.1730 4.6181 4.6181 4.8799 4.8799 4.8990 4.8990 7.8733 7.8733 7.8742 7.8742 8.0111 8.0111 9.0287 9.0287 9.4941 9.4941 9.5343 9.5354 k = 0.1875 0.1875 0.1875 ( 6526 PWs) bands (ev): -35.0622 -35.0622 -35.0544 -35.0544 -35.0544 -35.0544 -16.3755 -16.3755 -16.3692 -16.3692 -16.3413 -16.3413 -16.0506 -16.0506 -16.0244 -16.0244 -16.0157 -16.0157 -15.9244 -15.9244 -15.8854 -15.8854 -15.8701 -15.8701 -10.2926 -10.2926 -10.1410 -10.1410 -10.1397 -10.1397 -2.8160 -2.8160 0.8683 0.8683 0.8990 0.8990 0.9232 0.9232 1.2355 1.2355 1.2368 1.2368 1.4012 1.4012 1.6750 1.6750 2.1372 2.1372 2.1726 2.1726 4.5680 4.5680 4.8388 4.8388 4.8575 4.8575 7.9400 7.9400 7.9409 7.9409 8.0828 8.0828 9.0587 9.0587 9.5575 9.5579 9.5638 9.5659 k = 0.1979 0.1979 0.1979 ( 6535 PWs) bands (ev): -35.0619 -35.0619 -35.0546 -35.0546 -35.0546 -35.0546 -16.3762 -16.3762 -16.3695 -16.3695 -16.3421 -16.3421 -16.0530 -16.0530 -16.0237 -16.0237 -16.0153 -16.0153 -15.9249 -15.9249 -15.8859 -15.8859 -15.8701 -15.8701 -10.2827 -10.2827 -10.1379 -10.1379 -10.1365 -10.1365 -2.8017 -2.8017 0.8590 0.8590 0.8857 0.8857 0.9125 0.9125 1.2226 1.2226 1.2255 1.2255 1.3929 1.3929 1.6292 1.6292 2.1389 2.1389 2.1729 2.1729 4.5207 4.5207 4.7984 4.7984 4.8167 4.8167 8.0086 8.0086 8.0095 8.0095 8.1556 8.1556 9.0837 9.0837 9.5948 9.5949 9.5964 9.5968 k = 0.2083 0.2083 0.2083 ( 6541 PWs) bands (ev): -35.0617 -35.0617 -35.0547 -35.0547 -35.0547 -35.0547 -16.3769 -16.3769 -16.3700 -16.3700 -16.3428 -16.3428 -16.0555 -16.0555 -16.0231 -16.0231 -16.0149 -16.0149 -15.9257 -15.9257 -15.8862 -15.8862 -15.8701 -15.8701 -10.2725 -10.2725 -10.1347 -10.1347 -10.1331 -10.1331 -2.7869 -2.7869 0.8483 0.8483 0.8694 0.8694 0.8988 0.8988 1.2108 1.2108 1.2179 1.2179 1.3845 1.3845 1.5830 1.5830 2.1412 2.1412 2.1737 2.1737 4.4764 4.4764 4.7587 4.7587 4.7767 4.7767 8.0788 8.0788 8.0797 8.0797 8.2296 8.2296 9.1056 9.1056 9.6266 9.6266 9.6287 9.6287 k = 0.2188 0.2187 0.2187 ( 6547 PWs) bands (ev): -35.0615 -35.0615 -35.0548 -35.0548 -35.0548 -35.0548 -16.3776 -16.3776 -16.3706 -16.3706 -16.3434 -16.3434 -16.0581 -16.0581 -16.0224 -16.0224 -16.0145 -16.0145 -15.9266 -15.9266 -15.8863 -15.8863 -15.8700 -15.8700 -10.2622 -10.2622 -10.1314 -10.1314 -10.1297 -10.1297 -2.7715 -2.7715 0.8361 0.8361 0.8503 0.8503 0.8824 0.8824 1.2012 1.2012 1.2125 1.2125 1.3760 1.3760 1.5366 1.5366 2.1442 2.1442 2.1752 2.1752 4.4352 4.4352 4.7199 4.7199 4.7376 4.7376 8.1507 8.1507 8.1515 8.1515 8.3044 8.3044 9.1256 9.1256 9.6591 9.6591 9.6614 9.6614 k = 0.2292 0.2292 0.2292 ( 6550 PWs) bands (ev): -35.0612 -35.0612 -35.0549 -35.0549 -35.0549 -35.0549 -16.3784 -16.3784 -16.3713 -16.3713 -16.3439 -16.3439 -16.0607 -16.0607 -16.0217 -16.0217 -16.0141 -16.0141 -15.9277 -15.9277 -15.8862 -15.8862 -15.8700 -15.8700 -10.2517 -10.2517 -10.1281 -10.1281 -10.1263 -10.1263 -2.7556 -2.7556 0.8221 0.8221 0.8287 0.8287 0.8636 0.8636 1.1937 1.1937 1.2092 1.2092 1.3674 1.3674 1.4904 1.4904 2.1480 2.1480 2.1774 2.1774 4.3973 4.3973 4.6822 4.6822 4.6995 4.6995 8.2238 8.2238 8.2246 8.2246 8.3799 8.3799 9.1448 9.1448 9.6922 9.6922 9.6947 9.6947 k = 0.2396 0.2396 0.2396 ( 6538 PWs) bands (ev): -35.0610 -35.0610 -35.0550 -35.0550 -35.0550 -35.0550 -16.3792 -16.3792 -16.3721 -16.3721 -16.3443 -16.3443 -16.0633 -16.0633 -16.0209 -16.0209 -16.0137 -16.0137 -15.9290 -15.9290 -15.8858 -15.8858 -15.8698 -15.8698 -10.2412 -10.2412 -10.1248 -10.1248 -10.1228 -10.1228 -2.7393 -2.7393 0.8051 0.8051 0.8061 0.8061 0.8432 0.8432 1.1879 1.1879 1.2075 1.2075 1.3586 1.3586 1.4448 1.4448 2.1526 2.1526 2.1803 2.1803 4.3627 4.3627 4.6456 4.6456 4.6627 4.6627 8.2981 8.2981 8.2988 8.2988 8.4559 8.4559 9.1641 9.1641 9.7256 9.7256 9.7284 9.7284 k = 0.2500 0.2500 0.2500 ( 6535 PWs) bands (ev): -35.0607 -35.0607 -35.0551 -35.0551 -35.0551 -35.0551 -16.3801 -16.3801 -16.3731 -16.3731 -16.3446 -16.3446 -16.0660 -16.0660 -16.0201 -16.0201 -16.0133 -16.0133 -15.9304 -15.9304 -15.8853 -15.8853 -15.8697 -15.8697 -10.2305 -10.2305 -10.1214 -10.1214 -10.1193 -10.1193 -2.7226 -2.7226 0.7798 0.7798 0.7878 0.7878 0.8217 0.8217 1.1833 1.1833 1.2072 1.2072 1.3494 1.3494 1.4006 1.4006 2.1580 2.1580 2.1840 2.1840 4.3315 4.3315 4.6103 4.6103 4.6271 4.6271 8.3734 8.3734 8.3740 8.3740 8.5322 8.5322 9.1840 9.1840 9.7593 9.7593 9.7624 9.7624 k = 0.2604 0.2604 0.2604 ( 6529 PWs) bands (ev): -35.0605 -35.0605 -35.0552 -35.0552 -35.0552 -35.0552 -16.3809 -16.3809 -16.3741 -16.3741 -16.3449 -16.3449 -16.0686 -16.0686 -16.0193 -16.0193 -16.0129 -16.0129 -15.9319 -15.9319 -15.8846 -15.8846 -15.8695 -15.8695 -10.2199 -10.2199 -10.1180 -10.1180 -10.1158 -10.1158 -2.7056 -2.7056 0.7533 0.7533 0.7668 0.7668 0.8000 0.8000 1.1794 1.1794 1.2079 1.2079 1.3372 1.3372 1.3607 1.3607 2.1641 2.1641 2.1884 2.1884 4.3036 4.3036 4.5763 4.5763 4.5928 4.5928 8.4494 8.4494 8.4500 8.4500 8.6086 8.6086 9.2049 9.2049 9.7932 9.7932 9.7965 9.7965 k = 0.2708 0.2708 0.2708 ( 6523 PWs) bands (ev): -35.0602 -35.0602 -35.0553 -35.0553 -35.0553 -35.0553 -16.3818 -16.3818 -16.3753 -16.3753 -16.3450 -16.3450 -16.0713 -16.0713 -16.0185 -16.0185 -16.0124 -16.0124 -15.9335 -15.9335 -15.8837 -15.8837 -15.8693 -15.8693 -10.2093 -10.2093 -10.1147 -10.1147 -10.1123 -10.1123 -2.6883 -2.6883 0.7260 0.7260 0.7433 0.7433 0.7783 0.7783 1.1751 1.1751 1.2094 1.2094 1.3092 1.3092 1.3390 1.3390 2.1709 2.1709 2.1935 2.1935 4.2790 4.2790 4.5437 4.5437 4.5599 4.5599 8.5260 8.5260 8.5264 8.5264 8.6846 8.6846 9.2273 9.2273 9.8271 9.8271 9.8306 9.8306 k = 0.2812 0.2812 0.2812 ( 6523 PWs) bands (ev): -35.0600 -35.0600 -35.0554 -35.0554 -35.0554 -35.0554 -16.3828 -16.3828 -16.3765 -16.3765 -16.3452 -16.3452 -16.0739 -16.0739 -16.0177 -16.0177 -16.0120 -16.0120 -15.9352 -15.9352 -15.8828 -15.8828 -15.8692 -15.8692 -10.1988 -10.1988 -10.1113 -10.1113 -10.1088 -10.1088 -2.6707 -2.6707 0.6981 0.6981 0.7180 0.7180 0.7564 0.7564 1.1688 1.1688 1.2115 1.2115 1.2736 1.2736 1.3289 1.3289 2.1784 2.1784 2.1994 2.1994 4.2576 4.2576 4.5125 4.5125 4.5285 4.5285 8.6028 8.6028 8.6031 8.6031 8.7601 8.7601 9.2516 9.2516 9.8608 9.8608 9.8647 9.8647 k = 0.2917 0.2917 0.2917 ( 6523 PWs) bands (ev): -35.0597 -35.0597 -35.0556 -35.0556 -35.0556 -35.0556 -16.3837 -16.3837 -16.3778 -16.3778 -16.3452 -16.3452 -16.0765 -16.0765 -16.0169 -16.0169 -16.0116 -16.0116 -15.9369 -15.9369 -15.8817 -15.8817 -15.8689 -15.8689 -10.1885 -10.1885 -10.1080 -10.1080 -10.1054 -10.1054 -2.6530 -2.6530 0.6700 0.6700 0.6914 0.6914 0.7342 0.7342 1.1577 1.1577 1.2138 1.2138 1.2432 1.2432 1.3204 1.3204 2.1866 2.1866 2.2059 2.2059 4.2393 4.2393 4.4828 4.4828 4.4986 4.4986 8.6795 8.6795 8.6797 8.6797 8.8346 8.8346 9.2779 9.2779 9.8944 9.8944 9.8985 9.8985 k = 0.3021 0.3021 0.3021 ( 6526 PWs) bands (ev): -35.0595 -35.0595 -35.0557 -35.0557 -35.0557 -35.0557 -16.3847 -16.3847 -16.3792 -16.3792 -16.3453 -16.3453 -16.0791 -16.0791 -16.0162 -16.0162 -16.0112 -16.0112 -15.9386 -15.9386 -15.8806 -15.8806 -15.8687 -15.8687 -10.1783 -10.1783 -10.1048 -10.1048 -10.1020 -10.1020 -2.6352 -2.6352 0.6419 0.6419 0.6642 0.6642 0.7113 0.7113 1.1383 1.1383 1.2163 1.2163 1.2226 1.2226 1.3124 1.3124 2.1954 2.1954 2.2130 2.2130 4.2240 4.2240 4.4546 4.4546 4.4702 4.4702 8.7560 8.7560 8.7560 8.7560 8.9077 8.9077 9.3067 9.3067 9.9276 9.9276 9.9321 9.9321 k = 0.3125 0.3125 0.3125 ( 6521 PWs) bands (ev): -35.0592 -35.0592 -35.0558 -35.0558 -35.0558 -35.0558 -16.3856 -16.3856 -16.3805 -16.3805 -16.3452 -16.3452 -16.0817 -16.0817 -16.0154 -16.0154 -16.0108 -16.0108 -15.9403 -15.9403 -15.8794 -15.8794 -15.8685 -15.8685 -10.1683 -10.1683 -10.1016 -10.1016 -10.0987 -10.0987 -2.6175 -2.6175 0.6142 0.6142 0.6369 0.6369 0.6876 0.6876 1.1112 1.1112 1.2115 1.2115 1.2189 1.2189 1.3048 1.3048 2.2047 2.2047 2.2207 2.2207 4.2115 4.2115 4.4279 4.4279 4.4434 4.4434 8.8318 8.8318 8.8320 8.8320 8.9789 8.9789 9.3383 9.3383 9.9605 9.9605 9.9653 9.9653 k = 0.3229 0.3229 0.3229 ( 6533 PWs) bands (ev): -35.0590 -35.0590 -35.0559 -35.0559 -35.0559 -35.0559 -16.3866 -16.3866 -16.3819 -16.3819 -16.3452 -16.3452 -16.0841 -16.0841 -16.0146 -16.0146 -16.0105 -16.0105 -15.9420 -15.9420 -15.8783 -15.8783 -15.8683 -15.8683 -10.1586 -10.1586 -10.0985 -10.0985 -10.0954 -10.0954 -2.5998 -2.5998 0.5870 0.5870 0.6097 0.6097 0.6632 0.6632 1.0805 1.0805 1.2059 1.2059 1.2214 1.2214 1.2975 1.2975 2.2144 2.2144 2.2288 2.2288 4.2016 4.2016 4.4028 4.4028 4.4181 4.4181 8.9067 8.9067 8.9071 8.9071 9.0476 9.0476 9.3730 9.3730 9.9929 9.9929 9.9979 9.9979 k = 0.3333 0.3333 0.3333 ( 6557 PWs) bands (ev): -35.0588 -35.0588 -35.0560 -35.0560 -35.0560 -35.0560 -16.3876 -16.3876 -16.3833 -16.3833 -16.3452 -16.3452 -16.0866 -16.0866 -16.0139 -16.0139 -16.0102 -16.0102 -15.9437 -15.9437 -15.8771 -15.8771 -15.8680 -15.8680 -10.1492 -10.1492 -10.0955 -10.0955 -10.0923 -10.0923 -2.5823 -2.5823 0.5604 0.5604 0.5830 0.5830 0.6381 0.6381 1.0492 1.0492 1.2029 1.2029 1.2237 1.2237 1.2906 1.2906 2.2245 2.2245 2.2373 2.2373 4.1941 4.1941 4.3792 4.3792 4.3944 4.3944 8.9803 8.9803 8.9811 8.9811 9.1133 9.1133 9.4112 9.4112 10.0248 10.0248 10.0301 10.0301 k = 0.3438 0.3437 0.3437 ( 6530 PWs) bands (ev): -35.0586 -35.0586 -35.0561 -35.0561 -35.0561 -35.0561 -16.3885 -16.3885 -16.3847 -16.3847 -16.3451 -16.3451 -16.0888 -16.0888 -16.0131 -16.0131 -16.0098 -16.0098 -15.9452 -15.9452 -15.8758 -15.8758 -15.8677 -15.8677 -10.1401 -10.1401 -10.0926 -10.0926 -10.0893 -10.0893 -2.5651 -2.5651 0.5348 0.5348 0.5570 0.5570 0.6127 0.6127 1.0187 1.0187 1.2011 1.2011 1.2259 1.2259 1.2841 1.2841 2.2348 2.2348 2.2461 2.2461 4.1887 4.1887 4.3572 4.3572 4.3723 4.3723 9.0525 9.0525 9.0535 9.0535 9.1753 9.1753 9.4532 9.4532 10.0561 10.0561 10.0617 10.0617 k = 0.3542 0.3542 0.3542 ( 6524 PWs) bands (ev): -35.0584 -35.0584 -35.0562 -35.0562 -35.0562 -35.0562 -16.3894 -16.3894 -16.3860 -16.3860 -16.3450 -16.3450 -16.0910 -16.0910 -16.0124 -16.0124 -16.0095 -16.0095 -15.9467 -15.9467 -15.8746 -15.8746 -15.8674 -15.8674 -10.1315 -10.1315 -10.0898 -10.0898 -10.0864 -10.0864 -2.5483 -2.5483 0.5102 0.5102 0.5318 0.5318 0.5871 0.5871 0.9898 0.9898 1.1998 1.1998 1.2279 1.2279 1.2779 1.2779 2.2452 2.2452 2.2551 2.2551 4.1852 4.1852 4.3368 4.3368 4.3517 4.3517 9.1227 9.1227 9.1241 9.1241 9.2333 9.2333 9.4989 9.4989 10.0868 10.0868 10.0925 10.0925 k = 0.3646 0.3646 0.3646 ( 6509 PWs) bands (ev): -35.0582 -35.0582 -35.0563 -35.0563 -35.0563 -35.0563 -16.3902 -16.3902 -16.3873 -16.3873 -16.3449 -16.3449 -16.0931 -16.0931 -16.0117 -16.0117 -16.0091 -16.0091 -15.9482 -15.9482 -15.8734 -15.8734 -15.8672 -15.8672 -10.1232 -10.1232 -10.0872 -10.0872 -10.0836 -10.0836 -2.5319 -2.5319 0.4867 0.4867 0.5077 0.5077 0.5615 0.5615 0.9628 0.9628 1.1988 1.1988 1.2297 1.2297 1.2722 1.2722 2.2556 2.2556 2.2642 2.2642 4.1834 4.1834 4.3179 4.3179 4.3327 4.3327 9.1906 9.1906 9.1924 9.1924 9.2872 9.2872 9.5480 9.5480 10.1167 10.1167 10.1227 10.1227 k = 0.3750 0.3750 0.3750 ( 6509 PWs) bands (ev): -35.0580 -35.0580 -35.0563 -35.0563 -35.0563 -35.0563 -16.3911 -16.3911 -16.3885 -16.3885 -16.3449 -16.3449 -16.0951 -16.0951 -16.0111 -16.0111 -16.0088 -16.0088 -15.9495 -15.9495 -15.8723 -15.8723 -15.8669 -15.8669 -10.1154 -10.1154 -10.0847 -10.0847 -10.0810 -10.0810 -2.5161 -2.5161 0.4646 0.4646 0.4846 0.4846 0.5365 0.5365 0.9377 0.9377 1.1978 1.1978 1.2312 1.2312 1.2669 1.2669 2.2659 2.2659 2.2733 2.2733 4.1830 4.1830 4.3006 4.3006 4.3152 4.3152 9.2559 9.2559 9.2581 9.2581 9.3373 9.3373 9.5996 9.5996 10.1459 10.1459 10.1519 10.1520 k = 0.3854 0.3854 0.3854 ( 6521 PWs) bands (ev): -35.0578 -35.0578 -35.0564 -35.0564 -35.0564 -35.0564 -16.3919 -16.3919 -16.3897 -16.3897 -16.3448 -16.3448 -16.0970 -16.0970 -16.0105 -16.0105 -16.0086 -16.0086 -15.9508 -15.9508 -15.8713 -15.8713 -15.8666 -15.8666 -10.1082 -10.1082 -10.0823 -10.0823 -10.0785 -10.0785 -2.5010 -2.5010 0.4438 0.4438 0.4626 0.4626 0.5122 0.5122 0.9147 0.9147 1.1969 1.1969 1.2325 1.2325 1.2620 1.2620 2.2759 2.2759 2.2821 2.2821 4.1837 4.1837 4.2848 4.2848 4.2993 4.2993 9.3182 9.3182 9.3209 9.3209 9.3841 9.3841 9.6525 9.6525 10.1742 10.1742 10.1802 10.1804 k = 0.3958 0.3958 0.3958 ( 6527 PWs) bands (ev): -35.0577 -35.0577 -35.0565 -35.0565 -35.0565 -35.0565 -16.3926 -16.3926 -16.3908 -16.3908 -16.3448 -16.3448 -16.0987 -16.0987 -16.0100 -16.0100 -16.0083 -16.0083 -15.9520 -15.9520 -15.8702 -15.8702 -15.8664 -15.8664 -10.1014 -10.1014 -10.0802 -10.0802 -10.0762 -10.0762 -2.4868 -2.4868 0.4245 0.4245 0.4419 0.4419 0.4890 0.4890 0.8938 0.8938 1.1959 1.1959 1.2336 1.2336 1.2575 1.2575 2.2855 2.2855 2.2907 2.2907 4.1853 4.1853 4.2706 4.2706 4.2848 4.2848 9.3773 9.3773 9.3803 9.3803 9.4280 9.4280 9.7054 9.7054 10.2015 10.2044 10.2068 10.2234 k = 0.4062 0.4062 0.4062 ( 6536 PWs) bands (ev): -35.0575 -35.0575 -35.0566 -35.0566 -35.0566 -35.0566 -16.3934 -16.3934 -16.3919 -16.3919 -16.3447 -16.3447 -16.1003 -16.1003 -16.0095 -16.0095 -16.0081 -16.0081 -15.9530 -15.9530 -15.8693 -15.8693 -15.8662 -15.8662 -10.0952 -10.0952 -10.0782 -10.0782 -10.0740 -10.0740 -2.4734 -2.4734 0.4068 0.4068 0.4226 0.4226 0.4674 0.4674 0.8749 0.8749 1.1949 1.1949 1.2345 1.2345 1.2535 1.2535 2.2947 2.2947 2.2989 2.2989 4.1875 4.1875 4.2580 4.2580 4.2719 4.2719 9.4327 9.4327 9.4360 9.4360 9.4697 9.4697 9.7563 9.7563 10.2166 10.2167 10.2283 10.2320 k = 0.4167 0.4167 0.4167 ( 6536 PWs) bands (ev): -35.0574 -35.0574 -35.0566 -35.0566 -35.0566 -35.0566 -16.3940 -16.3940 -16.3928 -16.3928 -16.3446 -16.3446 -16.1017 -16.1017 -16.0090 -16.0090 -16.0079 -16.0079 -15.9540 -15.9540 -15.8685 -15.8685 -15.8660 -15.8660 -10.0897 -10.0897 -10.0763 -10.0763 -10.0721 -10.0721 -2.4612 -2.4612 0.3907 0.3907 0.4046 0.4046 0.4476 0.4476 0.8582 0.8582 1.1939 1.1939 1.2352 1.2352 1.2500 1.2500 2.3032 2.3032 2.3065 2.3065 4.1899 4.1899 4.2469 4.2469 4.2603 4.2603 9.4841 9.4841 9.4873 9.4873 9.5098 9.5098 9.8029 9.8029 10.2065 10.2065 10.2524 10.2587 k = 0.4271 0.4271 0.4271 ( 6533 PWs) bands (ev): -35.0573 -35.0573 -35.0567 -35.0567 -35.0567 -35.0567 -16.3946 -16.3946 -16.3937 -16.3937 -16.3446 -16.3446 -16.1030 -16.1030 -16.0086 -16.0086 -16.0077 -16.0077 -15.9548 -15.9548 -15.8677 -15.8677 -15.8658 -15.8658 -10.0847 -10.0847 -10.0747 -10.0747 -10.0702 -10.0702 -2.4500 -2.4500 0.3764 0.3764 0.3881 0.3881 0.4299 0.4299 0.8434 0.8434 1.1929 1.1929 1.2357 1.2357 1.2469 1.2469 2.3110 2.3110 2.3136 2.3136 4.1924 4.1924 4.2375 4.2375 4.2503 4.2503 9.5313 9.5313 9.5333 9.5333 9.5488 9.5488 9.8423 9.8423 10.2024 10.2024 10.2745 10.2794 k = 0.4375 0.4375 0.4375 ( 6542 PWs) bands (ev): -35.0572 -35.0572 -35.0567 -35.0567 -35.0567 -35.0567 -16.3951 -16.3951 -16.3944 -16.3944 -16.3446 -16.3446 -16.1041 -16.1041 -16.0082 -16.0082 -16.0076 -16.0076 -15.9556 -15.9556 -15.8670 -15.8670 -15.8656 -15.8656 -10.0804 -10.0804 -10.0733 -10.0733 -10.0686 -10.0686 -2.4401 -2.4401 0.3639 0.3639 0.3733 0.3733 0.4144 0.4144 0.8307 0.8307 1.1919 1.1919 1.2362 1.2362 1.2442 1.2442 2.3180 2.3180 2.3199 2.3199 4.1945 4.1945 4.2298 4.2298 4.2416 4.2416 9.5732 9.5732 9.5739 9.5739 9.5874 9.5874 9.8711 9.8711 10.2086 10.2086 10.2947 10.3005 k = 0.4479 0.4479 0.4479 ( 6545 PWs) bands (ev): -35.0571 -35.0571 -35.0568 -35.0568 -35.0568 -35.0568 -16.3956 -16.3956 -16.3951 -16.3951 -16.3445 -16.3445 -16.1051 -16.1051 -16.0079 -16.0079 -16.0075 -16.0075 -15.9562 -15.9562 -15.8664 -15.8664 -15.8654 -15.8654 -10.0769 -10.0769 -10.0721 -10.0721 -10.0672 -10.0672 -2.4315 -2.4315 0.3532 0.3532 0.3602 0.3602 0.4013 0.4013 0.8199 0.8199 1.1910 1.1910 1.2365 1.2365 1.2420 1.2420 2.3241 2.3241 2.3254 2.3254 4.1960 4.1960 4.2241 4.2241 4.2343 4.2343 9.6078 9.6078 9.6114 9.6114 9.6238 9.6238 9.8876 9.8876 10.2276 10.2276 10.3116 10.3172 k = 0.4583 0.4583 0.4583 ( 6569 PWs) bands (ev): -35.0570 -35.0570 -35.0568 -35.0568 -35.0568 -35.0568 -16.3959 -16.3959 -16.3956 -16.3956 -16.3445 -16.3445 -16.1059 -16.1059 -16.0077 -16.0077 -16.0074 -16.0074 -15.9568 -15.9568 -15.8660 -15.8660 -15.8653 -15.8653 -10.0740 -10.0740 -10.0711 -10.0711 -10.0659 -10.0659 -2.4244 -2.4244 0.3444 0.3444 0.3491 0.3491 0.3906 0.3906 0.8111 0.8111 1.1902 1.1902 1.2367 1.2367 1.2402 1.2402 2.3292 2.3292 2.3300 2.3300 4.1964 4.1964 4.2204 4.2204 4.2283 4.2283 9.6383 9.6383 9.6435 9.6435 9.6560 9.6560 9.8924 9.8924 10.2588 10.2588 10.3263 10.3313 k = 0.4688 0.4687 0.4687 ( 6563 PWs) bands (ev): -35.0569 -35.0569 -35.0568 -35.0568 -35.0568 -35.0568 -16.3962 -16.3962 -16.3961 -16.3961 -16.3445 -16.3445 -16.1065 -16.1065 -16.0075 -16.0075 -16.0073 -16.0073 -15.9572 -15.9572 -15.8656 -15.8656 -15.8652 -15.8652 -10.0719 -10.0719 -10.0703 -10.0703 -10.0647 -10.0647 -2.4188 -2.4188 0.3375 0.3375 0.3403 0.3403 0.3824 0.3824 0.8043 0.8043 1.1896 1.1896 1.2369 1.2369 1.2389 1.2389 2.3332 2.3332 2.3337 2.3337 4.1959 4.1959 4.2186 4.2186 4.2237 4.2237 9.6647 9.6647 9.6694 9.6694 9.6827 9.6827 9.8891 9.8891 10.2991 10.2991 10.3363 10.3401 k = 0.4792 0.4792 0.4792 ( 6557 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3964 -16.3964 -16.3963 -16.3963 -16.3445 -16.3445 -16.1070 -16.1070 -16.0073 -16.0073 -16.0072 -16.0072 -15.9575 -15.9575 -15.8653 -15.8653 -15.8651 -15.8651 -10.0704 -10.0704 -10.0698 -10.0698 -10.0639 -10.0639 -2.4147 -2.4147 0.3326 0.3326 0.3338 0.3338 0.3765 0.3765 0.7995 0.7995 1.1891 1.1891 1.2370 1.2370 1.2379 1.2379 2.3361 2.3361 2.3363 2.3363 4.1949 4.1949 4.2179 4.2179 4.2204 4.2204 9.6857 9.6857 9.6886 9.6886 9.7030 9.7030 9.8821 9.8821 10.3401 10.3421 10.3432 10.3456 k = 0.4896 0.4896 0.4896 ( 6500 PWs) bands (ev): -35.0569 -35.0569 -35.0568 -35.0568 -35.0568 -35.0568 -16.3965 -16.3965 -16.3964 -16.3964 -16.3444 -16.3444 -16.1072 -16.1072 -16.0071 -16.0071 -16.0071 -16.0071 -15.9576 -15.9576 -15.8650 -15.8650 -15.8650 -15.8650 -10.0696 -10.0696 -10.0694 -10.0694 -10.0633 -10.0633 -2.4123 -2.4123 0.3296 0.3296 0.3299 0.3299 0.3730 0.3730 0.7965 0.7965 1.1888 1.1888 1.2371 1.2371 1.2373 1.2373 2.3379 2.3379 2.3380 2.3380 4.1941 4.1941 4.2178 4.2178 4.2185 4.2185 9.6996 9.6996 9.7005 9.7005 9.7159 9.7159 9.8754 9.8754 10.3389 10.3390 10.3402 10.3419 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -35.0568 -35.0568 -35.0568 -35.0568 -35.0568 -35.0568 -16.3965 -16.3965 -16.3965 -16.3965 -16.3444 -16.3444 -16.1072 -16.1072 -16.0071 -16.0071 -16.0071 -16.0071 -15.9576 -15.9576 -15.8650 -15.8650 -15.8650 -15.8650 -10.0693 -10.0693 -10.0693 -10.0693 -10.0631 -10.0631 -2.4115 -2.4115 0.3286 0.3286 0.3286 0.3286 0.3718 0.3718 0.7956 0.7956 1.1887 1.1887 1.2371 1.2371 1.2371 1.2371 2.3385 2.3385 2.3385 2.3385 4.1938 4.1938 4.2179 4.2179 4.2179 4.2179 9.7045 9.7045 9.7045 9.7045 9.7204 9.7204 9.8727 9.8727 10.3378 10.3386 10.3410 10.3478 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -35.0568 -35.0568 -35.0568 -35.0568 -35.0568 -35.0568 -16.3965 -16.3965 -16.3965 -16.3965 -16.3444 -16.3444 -16.1072 -16.1072 -16.0071 -16.0071 -16.0071 -16.0071 -15.9576 -15.9576 -15.8650 -15.8650 -15.8650 -15.8650 -10.0693 -10.0693 -10.0693 -10.0693 -10.0631 -10.0631 -2.4115 -2.4115 0.3286 0.3286 0.3286 0.3286 0.3718 0.3718 0.7956 0.7956 1.1887 1.1887 1.2371 1.2371 1.2371 1.2371 2.3385 2.3385 2.3385 2.3385 4.1938 4.1938 4.2179 4.2179 4.2179 4.2179 9.7045 9.7045 9.7045 9.7045 9.7204 9.7204 9.8727 9.8727 10.3381 10.3395 10.3456 10.3477 k = 0.4875 0.5000 0.4875 ( 6500 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0568 -35.0568 -16.3965 -16.3965 -16.3964 -16.3964 -16.3444 -16.3444 -16.1072 -16.1072 -16.0071 -16.0071 -16.0071 -16.0071 -15.9576 -15.9576 -15.8651 -15.8651 -15.8650 -15.8650 -10.0696 -10.0696 -10.0694 -10.0694 -10.0633 -10.0633 -2.4122 -2.4122 0.3296 0.3296 0.3299 0.3299 0.3729 0.3729 0.7965 0.7965 1.1888 1.1888 1.2371 1.2371 1.2373 1.2373 2.3376 2.3376 2.3383 2.3383 4.1941 4.1941 4.2178 4.2178 4.2185 4.2185 9.6998 9.6998 9.7006 9.7006 9.7161 9.7161 9.8753 9.8753 10.3383 10.3387 10.3414 10.3428 k = 0.4750 0.5000 0.4750 ( 6548 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3964 -16.3964 -16.3963 -16.3963 -16.3445 -16.3445 -16.1070 -16.1070 -16.0073 -16.0073 -16.0072 -16.0072 -15.9575 -15.9575 -15.8653 -15.8653 -15.8651 -15.8651 -10.0704 -10.0704 -10.0698 -10.0698 -10.0638 -10.0638 -2.4146 -2.4146 0.3325 0.3325 0.3336 0.3336 0.3763 0.3763 0.7993 0.7993 1.1891 1.1891 1.2371 1.2371 1.2378 1.2378 2.3350 2.3350 2.3377 2.3377 4.1949 4.1949 4.2177 4.2177 4.2205 4.2205 9.6866 9.6866 9.6892 9.6892 9.7037 9.7037 9.8819 9.8819 10.3394 10.3415 10.3443 10.3452 k = 0.4625 0.5000 0.4625 ( 6566 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0568 -35.0568 -16.3962 -16.3962 -16.3961 -16.3961 -16.3445 -16.3445 -16.1066 -16.1066 -16.0076 -16.0076 -16.0072 -16.0072 -15.9572 -15.9572 -15.8656 -15.8656 -15.8652 -15.8652 -10.0717 -10.0717 -10.0704 -10.0704 -10.0646 -10.0646 -2.4185 -2.4185 0.3372 0.3372 0.3398 0.3398 0.3819 0.3819 0.8040 0.8040 1.1895 1.1895 1.2370 1.2370 1.2387 1.2387 2.3307 2.3307 2.3366 2.3366 4.1959 4.1959 4.2176 4.2176 4.2243 4.2243 9.6666 9.6666 9.6707 9.6707 9.6843 9.6843 9.8897 9.8897 10.2991 10.2991 10.3392 10.3458 k = 0.4500 0.5000 0.4500 ( 6570 PWs) bands (ev): -35.0570 -35.0570 -35.0569 -35.0569 -35.0568 -35.0568 -16.3960 -16.3960 -16.3956 -16.3956 -16.3445 -16.3445 -16.1060 -16.1060 -16.0079 -16.0079 -16.0072 -16.0072 -15.9568 -15.9568 -15.8660 -15.8660 -15.8653 -15.8653 -10.0735 -10.0735 -10.0715 -10.0715 -10.0656 -10.0656 -2.4239 -2.4239 0.3437 0.3437 0.3483 0.3483 0.3898 0.3898 0.8105 0.8105 1.1902 1.1902 1.2370 1.2370 1.2399 1.2399 2.3247 2.3247 2.3351 2.3351 4.1969 4.1969 4.2175 4.2175 4.2299 4.2299 9.6408 9.6408 9.6458 9.6458 9.6595 9.6595 9.8961 9.8961 10.2547 10.2547 10.3328 10.3401 k = 0.4375 0.5000 0.4375 ( 6556 PWs) bands (ev): -35.0570 -35.0570 -35.0569 -35.0569 -35.0567 -35.0567 -16.3957 -16.3957 -16.3951 -16.3951 -16.3445 -16.3445 -16.1052 -16.1052 -16.0082 -16.0082 -16.0072 -16.0072 -15.9563 -15.9563 -15.8665 -15.8665 -15.8653 -15.8653 -10.0758 -10.0758 -10.0732 -10.0732 -10.0664 -10.0664 -2.4307 -2.4307 0.3520 0.3520 0.3592 0.3592 0.3999 0.3999 0.8189 0.8189 1.1910 1.1910 1.2370 1.2370 1.2414 1.2414 2.3172 2.3172 2.3332 2.3332 4.1977 4.1977 4.2175 4.2175 4.2377 4.2377 9.6065 9.6065 9.6180 9.6180 9.6314 9.6314 9.8991 9.8991 10.2138 10.2138 10.3242 10.3441 k = 0.4250 0.5000 0.4250 ( 6534 PWs) bands (ev): -35.0571 -35.0571 -35.0569 -35.0569 -35.0567 -35.0567 -16.3952 -16.3952 -16.3944 -16.3944 -16.3445 -16.3445 -16.1042 -16.1042 -16.0086 -16.0086 -16.0071 -16.0071 -15.9557 -15.9557 -15.8671 -15.8671 -15.8654 -15.8654 -10.0787 -10.0787 -10.0756 -10.0756 -10.0672 -10.0672 -2.4389 -2.4389 0.3619 0.3619 0.3723 0.3723 0.4122 0.4122 0.8291 0.8291 1.1919 1.1919 1.2369 1.2369 1.2433 1.2433 2.3083 2.3083 2.3309 2.3309 4.1983 4.1983 4.2177 4.2177 4.2475 4.2475 9.5625 9.5625 9.5893 9.5893 9.6016 9.6016 9.8975 9.8975 10.1774 10.1774 10.3123 10.3186 k = 0.4125 0.5000 0.4125 ( 6534 PWs) bands (ev): -35.0572 -35.0572 -35.0569 -35.0569 -35.0566 -35.0566 -16.3948 -16.3948 -16.3937 -16.3937 -16.3446 -16.3446 -16.1032 -16.1032 -16.0091 -16.0091 -16.0071 -16.0071 -15.9549 -15.9549 -15.8678 -15.8678 -15.8656 -15.8656 -10.0820 -10.0820 -10.0786 -10.0786 -10.0678 -10.0678 -2.4483 -2.4483 0.3732 0.3732 0.3874 0.3874 0.4266 0.4266 0.8412 0.8412 1.1930 1.1930 1.2368 1.2368 1.2455 1.2455 2.2980 2.2980 2.3281 2.3281 4.1986 4.1986 4.2183 4.2183 4.2594 4.2594 9.5102 9.5102 9.5597 9.5597 9.5705 9.5705 9.8904 9.8904 10.1454 10.1454 10.2961 10.2984 k = 0.4000 0.5000 0.4000 ( 6542 PWs) bands (ev): -35.0572 -35.0572 -35.0569 -35.0569 -35.0565 -35.0565 -16.3943 -16.3943 -16.3928 -16.3928 -16.3447 -16.3447 -16.1020 -16.1020 -16.0097 -16.0097 -16.0071 -16.0071 -15.9542 -15.9542 -15.8686 -15.8686 -15.8657 -15.8657 -10.0858 -10.0858 -10.0821 -10.0821 -10.0684 -10.0684 -2.4589 -2.4589 0.3860 0.3860 0.4044 0.4044 0.4430 0.4430 0.8552 0.8552 1.1942 1.1942 1.2368 1.2368 1.2480 1.2480 2.2865 2.2865 2.3249 2.3249 4.1987 4.1987 4.2195 4.2195 4.2732 4.2732 9.4508 9.4508 9.5294 9.5294 9.5390 9.5390 9.8775 9.8775 10.1176 10.1176 10.2765 10.2771 k = 0.3875 0.5000 0.3875 ( 6542 PWs) bands (ev): -35.0573 -35.0573 -35.0569 -35.0569 -35.0564 -35.0564 -16.3937 -16.3937 -16.3919 -16.3919 -16.3447 -16.3447 -16.1006 -16.1006 -16.0104 -16.0104 -16.0071 -16.0071 -15.9532 -15.9532 -15.8695 -15.8695 -15.8659 -15.8659 -10.0900 -10.0900 -10.0861 -10.0861 -10.0690 -10.0690 -2.4705 -2.4705 0.4002 0.4002 0.4231 0.4231 0.4613 0.4613 0.8710 0.8710 1.1954 1.1954 1.2366 1.2366 1.2507 1.2507 2.2740 2.2740 2.3213 2.3213 4.1985 4.1985 4.2215 4.2215 4.2889 4.2889 9.3857 9.3857 9.4983 9.4983 9.5075 9.5075 9.8591 9.8591 10.0934 10.0934 10.2535 10.2538 k = 0.3750 0.5000 0.3750 ( 6534 PWs) bands (ev): -35.0574 -35.0574 -35.0569 -35.0569 -35.0563 -35.0563 -16.3930 -16.3930 -16.3909 -16.3909 -16.3448 -16.3448 -16.0990 -16.0990 -16.0111 -16.0111 -16.0071 -16.0071 -15.9522 -15.9522 -15.8704 -15.8704 -15.8661 -15.8661 -10.0946 -10.0946 -10.0905 -10.0905 -10.0695 -10.0695 -2.4831 -2.4831 0.4156 0.4156 0.4435 0.4435 0.4812 0.4812 0.8887 0.8887 1.1968 1.1968 1.2365 1.2365 1.2538 1.2538 2.2606 2.2606 2.3172 2.3172 4.1979 4.1979 4.2247 4.2247 4.3063 4.3063 9.3159 9.3159 9.4665 9.4665 9.4765 9.4765 9.8355 9.8355 10.0723 10.0723 10.2282 10.2283 k = 0.3625 0.5000 0.3625 ( 6514 PWs) bands (ev): -35.0575 -35.0575 -35.0569 -35.0569 -35.0562 -35.0562 -16.3923 -16.3923 -16.3898 -16.3898 -16.3448 -16.3448 -16.0973 -16.0973 -16.0118 -16.0118 -16.0071 -16.0071 -15.9510 -15.9510 -15.8714 -15.8714 -15.8663 -15.8663 -10.0996 -10.0996 -10.0953 -10.0953 -10.0701 -10.0701 -2.4965 -2.4965 0.4323 0.4323 0.4651 0.4651 0.5026 0.5026 0.9081 0.9081 1.1983 1.1983 1.2362 1.2362 1.2571 1.2571 2.2465 2.2465 2.3127 2.3127 4.1969 4.1969 4.2293 4.2293 4.3254 4.3254 9.2425 9.2425 9.4343 9.4343 9.4461 9.4461 9.8071 9.8071 10.0537 10.0537 10.2007 10.2009 k = 0.3500 0.5000 0.3500 ( 6518 PWs) bands (ev): -35.0577 -35.0577 -35.0569 -35.0569 -35.0561 -35.0561 -16.3916 -16.3916 -16.3886 -16.3886 -16.3449 -16.3449 -16.0955 -16.0955 -16.0127 -16.0127 -16.0072 -16.0072 -15.9498 -15.9498 -15.8726 -15.8726 -15.8665 -15.8665 -10.1050 -10.1050 -10.1004 -10.1004 -10.0707 -10.0707 -2.5106 -2.5106 0.4501 0.4501 0.4879 0.4879 0.5253 0.5253 0.9294 0.9294 1.1999 1.1999 1.2359 1.2359 1.2606 1.2606 2.2319 2.2319 2.3078 2.3078 4.1955 4.1955 4.2354 4.2354 4.3460 4.3460 9.1662 9.1662 9.4021 9.4021 9.4161 9.4161 9.7745 9.7745 10.0371 10.0371 10.1715 10.1716 k = 0.3375 0.5000 0.3375 ( 6526 PWs) bands (ev): -35.0578 -35.0578 -35.0569 -35.0569 -35.0560 -35.0560 -16.3908 -16.3908 -16.3874 -16.3874 -16.3451 -16.3451 -16.0936 -16.0936 -16.0136 -16.0136 -16.0072 -16.0072 -15.9485 -15.9485 -15.8737 -15.8737 -15.8668 -15.8668 -10.1108 -10.1108 -10.1058 -10.1058 -10.0713 -10.0713 -2.5253 -2.5253 0.4690 0.4690 0.5115 0.5115 0.5491 0.5491 0.9524 0.9524 1.2016 1.2016 1.2354 1.2354 1.2643 1.2643 2.2170 2.2170 2.3023 2.3023 4.1937 4.1937 4.2433 4.2433 4.3681 4.3681 9.0881 9.0881 9.3701 9.3701 9.3866 9.3866 9.7384 9.7384 10.0221 10.0221 10.1409 10.1409 k = 0.3250 0.5000 0.3250 ( 6522 PWs) bands (ev): -35.0579 -35.0579 -35.0569 -35.0569 -35.0559 -35.0559 -16.3900 -16.3900 -16.3861 -16.3861 -16.3452 -16.3452 -16.0916 -16.0916 -16.0145 -16.0145 -16.0073 -16.0073 -15.9471 -15.9471 -15.8749 -15.8749 -15.8670 -15.8670 -10.1168 -10.1168 -10.1114 -10.1114 -10.0720 -10.0720 -2.5405 -2.5405 0.4889 0.4889 0.5356 0.5356 0.5740 0.5740 0.9770 0.9770 1.2036 1.2036 1.2348 1.2348 1.2682 1.2682 2.2019 2.2019 2.2965 2.2965 4.1916 4.1916 4.2531 4.2531 4.3916 4.3916 9.0085 9.0085 9.3385 9.3385 9.3575 9.3575 9.6993 9.6993 10.0085 10.0085 10.1092 10.1093 k = 0.3125 0.5000 0.3125 ( 6522 PWs) bands (ev): -35.0581 -35.0581 -35.0569 -35.0569 -35.0558 -35.0558 -16.3892 -16.3892 -16.3848 -16.3848 -16.3453 -16.3453 -16.0895 -16.0895 -16.0155 -16.0155 -16.0074 -16.0074 -15.9457 -15.9457 -15.8762 -15.8762 -15.8673 -15.8673 -10.1231 -10.1231 -10.1173 -10.1173 -10.0726 -10.0726 -2.5560 -2.5560 0.5098 0.5098 0.5599 0.5599 0.5997 0.5997 1.0033 1.0033 1.2058 1.2058 1.2340 1.2340 1.2722 1.2722 2.1869 2.1869 2.2902 2.2902 4.1891 4.1891 4.2649 4.2649 4.4163 4.4163 8.9282 8.9282 9.3076 9.3076 9.3286 9.3286 9.6578 9.6578 9.9960 9.9960 10.0768 10.0768 k = 0.3000 0.5000 0.3000 ( 6504 PWs) bands (ev): -35.0582 -35.0582 -35.0569 -35.0569 -35.0556 -35.0556 -16.3883 -16.3883 -16.3834 -16.3834 -16.3454 -16.3454 -16.0872 -16.0872 -16.0165 -16.0165 -16.0075 -16.0075 -15.9441 -15.9441 -15.8774 -15.8774 -15.8676 -15.8676 -10.1296 -10.1296 -10.1233 -10.1233 -10.0733 -10.0733 -2.5717 -2.5717 0.5315 0.5315 0.5840 0.5840 0.6263 0.6263 1.0309 1.0309 1.2083 1.2083 1.2332 1.2332 1.2763 1.2763 2.1720 2.1720 2.2834 2.2834 4.1862 4.1862 4.2790 4.2790 4.4422 4.4422 8.8475 8.8475 9.2774 9.2774 9.3000 9.3000 9.6144 9.6144 9.9844 9.9844 10.0438 10.0438 k = 0.2875 0.5000 0.2875 ( 6520 PWs) bands (ev): -35.0583 -35.0583 -35.0569 -35.0569 -35.0555 -35.0555 -16.3875 -16.3875 -16.3821 -16.3821 -16.3456 -16.3456 -16.0849 -16.0849 -16.0176 -16.0176 -16.0076 -16.0076 -15.9425 -15.9425 -15.8788 -15.8788 -15.8679 -15.8679 -10.1363 -10.1363 -10.1295 -10.1295 -10.0740 -10.0740 -2.5875 -2.5875 0.5539 0.5539 0.6075 0.6075 0.6536 0.6536 1.0595 1.0595 1.2112 1.2112 1.2324 1.2324 1.2804 1.2804 2.1576 2.1576 2.2762 2.2762 4.1830 4.1830 4.2954 4.2954 4.4692 4.4692 8.7668 8.7668 9.2481 9.2481 9.2716 9.2716 9.5697 9.5697 9.9734 9.9734 10.0106 10.0106 k = 0.2750 0.5000 0.2750 ( 6516 PWs) bands (ev): -35.0585 -35.0585 -35.0569 -35.0569 -35.0553 -35.0553 -16.3866 -16.3866 -16.3807 -16.3807 -16.3458 -16.3458 -16.0825 -16.0825 -16.0187 -16.0187 -16.0078 -16.0078 -15.9408 -15.9408 -15.8801 -15.8801 -15.8682 -15.8682 -10.1432 -10.1432 -10.1358 -10.1358 -10.0747 -10.0747 -2.6034 -2.6034 0.5770 0.5770 0.6303 0.6303 0.6815 0.6815 1.0887 1.0887 1.2146 1.2146 1.2321 1.2321 1.2845 1.2845 2.1436 2.1436 2.2685 2.2685 4.1795 4.1795 4.3142 4.3142 4.4970 4.4970 8.6864 8.6864 9.2197 9.2197 9.2434 9.2434 9.5241 9.5241 9.9623 9.9623 9.9777 9.9777 k = 0.2625 0.5000 0.2625 ( 6524 PWs) bands (ev): -35.0586 -35.0586 -35.0569 -35.0569 -35.0552 -35.0552 -16.3858 -16.3858 -16.3793 -16.3793 -16.3460 -16.3460 -16.0801 -16.0801 -16.0198 -16.0198 -16.0080 -16.0080 -15.9391 -15.9391 -15.8814 -15.8814 -15.8685 -15.8685 -10.1501 -10.1501 -10.1421 -10.1421 -10.0754 -10.0754 -2.6192 -2.6192 0.6006 0.6006 0.6519 0.6519 0.7098 0.7098 1.1173 1.1173 1.2181 1.2181 1.2335 1.2335 1.2887 1.2887 2.1303 2.1303 2.2603 2.2603 4.1757 4.1757 4.3355 4.3355 4.5255 4.5255 8.6066 8.6066 9.1922 9.1922 9.2154 9.2154 9.4780 9.4780 9.9423 9.9423 9.9539 9.9539 k = 0.2500 0.5000 0.2500 ( 6546 PWs) bands (ev): -35.0588 -35.0588 -35.0570 -35.0570 -35.0551 -35.0551 -16.3849 -16.3849 -16.3779 -16.3779 -16.3462 -16.3462 -16.0776 -16.0776 -16.0209 -16.0209 -16.0083 -16.0083 -15.9374 -15.9374 -15.8827 -15.8827 -15.8689 -15.8689 -10.1571 -10.1571 -10.1484 -10.1484 -10.0761 -10.0761 -2.6348 -2.6348 0.6247 0.6247 0.6724 0.6724 0.7385 0.7385 1.1433 1.1433 1.2206 1.2206 1.2396 1.2396 1.2927 1.2927 2.1177 2.1177 2.2517 2.2517 4.1715 4.1715 4.3594 4.3594 4.5546 4.5546 8.5276 8.5276 9.1659 9.1659 9.1875 9.1875 9.4319 9.4319 9.9101 9.9101 9.9421 9.9421 k = 0.2375 0.5000 0.2375 ( 6518 PWs) bands (ev): -35.0589 -35.0589 -35.0570 -35.0570 -35.0549 -35.0549 -16.3841 -16.3841 -16.3764 -16.3764 -16.3463 -16.3463 -16.0750 -16.0750 -16.0220 -16.0220 -16.0085 -16.0085 -15.9355 -15.9355 -15.8840 -15.8840 -15.8692 -15.8692 -10.1641 -10.1641 -10.1548 -10.1548 -10.0768 -10.0768 -2.6501 -2.6501 0.6491 0.6491 0.6915 0.6915 0.7672 0.7672 1.1634 1.1634 1.2220 1.2220 1.2536 1.2536 1.2968 1.2968 2.1060 2.1060 2.2427 2.2427 4.1670 4.1670 4.3859 4.3859 4.5842 4.5842 8.4497 8.4497 9.1407 9.1407 9.1599 9.1599 9.3862 9.3862 9.8778 9.8778 9.9295 9.9295 k = 0.2250 0.5000 0.2250 ( 6526 PWs) bands (ev): -35.0591 -35.0591 -35.0570 -35.0570 -35.0548 -35.0548 -16.3833 -16.3833 -16.3750 -16.3750 -16.3466 -16.3466 -16.0724 -16.0724 -16.0231 -16.0231 -16.0088 -16.0088 -15.9337 -15.9337 -15.8853 -15.8853 -15.8696 -15.8696 -10.1710 -10.1710 -10.1610 -10.1610 -10.0775 -10.0775 -2.6652 -2.6652 0.6736 0.6736 0.7093 0.7093 0.7959 0.7959 1.1752 1.1752 1.2235 1.2235 1.2758 1.2758 1.3014 1.3014 2.0952 2.0952 2.2333 2.2333 4.1622 4.1622 4.4148 4.4148 4.6141 4.6141 8.3729 8.3729 9.1166 9.1166 9.1324 9.1324 9.3412 9.3412 9.8459 9.8459 9.9143 9.9143 k = 0.2125 0.5000 0.2125 ( 6530 PWs) bands (ev): -35.0592 -35.0592 -35.0570 -35.0570 -35.0547 -35.0547 -16.3825 -16.3825 -16.3736 -16.3736 -16.3468 -16.3468 -16.0698 -16.0698 -16.0242 -16.0242 -16.0092 -16.0092 -15.9319 -15.9319 -15.8865 -15.8865 -15.8700 -15.8700 -10.1779 -10.1779 -10.1672 -10.1672 -10.0781 -10.0781 -2.6798 -2.6798 0.6982 0.6982 0.7257 0.7257 0.8243 0.8243 1.1799 1.1799 1.2257 1.2257 1.2977 1.2977 1.3133 1.3133 2.0853 2.0853 2.2234 2.2234 4.1571 4.1571 4.4462 4.4462 4.6440 4.6440 8.2975 8.2975 9.0937 9.0937 9.1051 9.1051 9.2972 9.2972 9.8145 9.8145 9.8944 9.8944 k = 0.2000 0.5000 0.2000 ( 6530 PWs) bands (ev): -35.0594 -35.0594 -35.0570 -35.0570 -35.0545 -35.0545 -16.3817 -16.3817 -16.3723 -16.3723 -16.3470 -16.3470 -16.0671 -16.0671 -16.0252 -16.0252 -16.0096 -16.0096 -15.9301 -15.9301 -15.8877 -15.8877 -15.8704 -15.8704 -10.1846 -10.1846 -10.1732 -10.1732 -10.0788 -10.0788 -2.6939 -2.6939 0.7225 0.7225 0.7408 0.7408 0.8522 0.8522 1.1802 1.1802 1.2286 1.2286 1.3043 1.3043 1.3444 1.3444 2.0763 2.0763 2.2131 2.2131 4.1517 4.1517 4.4798 4.4798 4.6738 4.6738 8.2236 8.2236 9.0718 9.0718 9.0784 9.0784 9.2546 9.2546 9.7838 9.7838 9.8676 9.8676 k = 0.1875 0.5000 0.1875 ( 6524 PWs) bands (ev): -35.0595 -35.0595 -35.0570 -35.0570 -35.0544 -35.0544 -16.3810 -16.3810 -16.3709 -16.3709 -16.3473 -16.3473 -16.0645 -16.0645 -16.0262 -16.0262 -16.0101 -16.0101 -15.9282 -15.9282 -15.8889 -15.8889 -15.8707 -15.8707 -10.1912 -10.1912 -10.1791 -10.1791 -10.0795 -10.0795 -2.7074 -2.7074 0.7456 0.7456 0.7554 0.7554 0.8796 0.8796 1.1778 1.1778 1.2318 1.2318 1.3076 1.3076 1.3808 1.3808 2.0683 2.0683 2.2024 2.2024 4.1460 4.1460 4.5154 4.5154 4.7033 4.7033 8.1513 8.1513 9.0490 9.0490 9.0542 9.0542 9.2137 9.2137 9.7538 9.7538 9.8331 9.8331 k = 0.1750 0.5000 0.1750 ( 6522 PWs) bands (ev): -35.0597 -35.0597 -35.0570 -35.0570 -35.0543 -35.0543 -16.3804 -16.3804 -16.3695 -16.3695 -16.3475 -16.3475 -16.0619 -16.0619 -16.0272 -16.0272 -16.0107 -16.0107 -15.9264 -15.9264 -15.8900 -15.8900 -15.8711 -15.8711 -10.1975 -10.1975 -10.1848 -10.1848 -10.0801 -10.0801 -2.7204 -2.7204 0.7632 0.7632 0.7739 0.7739 0.9062 0.9062 1.1741 1.1741 1.2352 1.2352 1.3103 1.3103 1.4189 1.4189 2.0612 2.0612 2.1913 2.1913 4.1402 4.1402 4.5528 4.5528 4.7323 4.7323 8.0810 8.0810 9.0231 9.0231 9.0344 9.0344 9.1747 9.1747 9.7244 9.7244 9.7918 9.7918 k = 0.1625 0.5000 0.1625 ( 6542 PWs) bands (ev): -35.0598 -35.0598 -35.0570 -35.0570 -35.0541 -35.0541 -16.3798 -16.3798 -16.3682 -16.3682 -16.3478 -16.3478 -16.0593 -16.0593 -16.0282 -16.0282 -16.0113 -16.0113 -15.9247 -15.9247 -15.8911 -15.8911 -15.8715 -15.8715 -10.2037 -10.2037 -10.1903 -10.1903 -10.0807 -10.0807 -2.7327 -2.7327 0.7749 0.7749 0.7963 0.7963 0.9319 0.9319 1.1695 1.1695 1.2385 1.2385 1.3124 1.3124 1.4577 1.4577 2.0549 2.0549 2.1799 2.1799 4.1341 4.1341 4.5917 4.5917 4.7605 4.7605 8.0128 8.0128 8.9968 8.9968 9.0168 9.0168 9.1380 9.1380 9.6955 9.6956 9.7460 9.7461 k = 0.1500 0.5000 0.1500 ( 6518 PWs) bands (ev): -35.0599 -35.0599 -35.0570 -35.0570 -35.0540 -35.0540 -16.3792 -16.3792 -16.3669 -16.3669 -16.3480 -16.3480 -16.0567 -16.0567 -16.0291 -16.0291 -16.0119 -16.0119 -15.9230 -15.9230 -15.8921 -15.8921 -15.8718 -15.8718 -10.2095 -10.2095 -10.1954 -10.1954 -10.0813 -10.0813 -2.7442 -2.7442 0.7846 0.7846 0.8189 0.8189 0.9565 0.9565 1.1645 1.1645 1.2416 1.2416 1.3142 1.3142 1.4966 1.4966 2.0494 2.0494 2.1682 2.1682 4.1280 4.1280 4.6315 4.6315 4.7879 4.7879 7.9468 7.9468 8.9708 8.9708 9.0007 9.0007 9.1040 9.1040 9.6674 9.6674 9.6981 9.6981 k = 0.1375 0.5000 0.1375 ( 6530 PWs) bands (ev): -35.0601 -35.0601 -35.0570 -35.0570 -35.0539 -35.0539 -16.3787 -16.3787 -16.3657 -16.3657 -16.3484 -16.3484 -16.0542 -16.0542 -16.0300 -16.0300 -16.0127 -16.0127 -15.9213 -15.9213 -15.8931 -15.8931 -15.8722 -15.8722 -10.2150 -10.2150 -10.2003 -10.2003 -10.0818 -10.0818 -2.7551 -2.7551 0.7929 0.7929 0.8408 0.8408 0.9799 0.9799 1.1594 1.1594 1.2444 1.2444 1.3156 1.3156 1.5351 1.5351 2.0446 2.0446 2.1562 2.1562 4.1218 4.1218 4.6719 4.6719 4.8141 4.8141 7.8835 7.8835 8.9452 8.9452 8.9860 8.9860 9.0726 9.0726 9.6397 9.6490 9.6498 9.6649 k = 0.1250 0.5000 0.1250 ( 6536 PWs) bands (ev): -35.0602 -35.0602 -35.0570 -35.0570 -35.0538 -35.0538 -16.3782 -16.3782 -16.3645 -16.3645 -16.3487 -16.3487 -16.0517 -16.0517 -16.0308 -16.0308 -16.0135 -16.0135 -15.9198 -15.9198 -15.8940 -15.8940 -15.8726 -15.8726 -10.2202 -10.2202 -10.2049 -10.2049 -10.0823 -10.0823 -2.7651 -2.7651 0.8001 0.8001 0.8618 0.8618 1.0020 1.0020 1.1544 1.1544 1.2468 1.2468 1.3167 1.3167 1.5730 1.5730 2.0403 2.0403 2.1441 2.1441 4.1157 4.1157 4.7123 4.7123 4.8390 4.8390 7.8230 7.8230 8.9202 8.9202 8.9727 8.9727 9.0441 9.0441 9.6020 9.6020 9.6220 9.6290 k = 0.1125 0.5000 0.1125 ( 6532 PWs) bands (ev): -35.0603 -35.0603 -35.0570 -35.0570 -35.0537 -35.0537 -16.3779 -16.3779 -16.3633 -16.3633 -16.3490 -16.3490 -16.0493 -16.0493 -16.0315 -16.0315 -16.0143 -16.0143 -15.9183 -15.9183 -15.8948 -15.8948 -15.8729 -15.8729 -10.2249 -10.2249 -10.2091 -10.2091 -10.0828 -10.0828 -2.7742 -2.7742 0.8063 0.8063 0.8816 0.8816 1.0225 1.0225 1.1496 1.1496 1.2488 1.2488 1.3175 1.3175 1.6098 1.6098 2.0364 2.0364 2.1319 2.1319 4.1098 4.1098 4.7521 4.7521 4.8624 4.8624 7.7659 7.7659 8.8961 8.8961 8.9607 8.9607 9.0186 9.0186 9.5566 9.5566 9.5853 9.5855 k = 0.1000 0.5000 0.1000 ( 6532 PWs) bands (ev): -35.0604 -35.0604 -35.0570 -35.0570 -35.0536 -35.0536 -16.3775 -16.3775 -16.3622 -16.3622 -16.3494 -16.3494 -16.0470 -16.0470 -16.0322 -16.0322 -16.0152 -16.0152 -15.9169 -15.9169 -15.8956 -15.8956 -15.8732 -15.8732 -10.2293 -10.2293 -10.2129 -10.2129 -10.0832 -10.0832 -2.7825 -2.7825 0.8115 0.8115 0.9000 0.9000 1.0413 1.0413 1.1453 1.1453 1.2502 1.2502 1.3180 1.3180 1.6452 1.6452 2.0328 2.0328 2.1197 2.1197 4.1040 4.1040 4.7905 4.7905 4.8840 4.8840 7.7126 7.7126 8.8733 8.8733 8.9500 8.9500 8.9961 8.9961 9.5139 9.5139 9.5453 9.5453 k = 0.0875 0.5000 0.0875 ( 6520 PWs) bands (ev): -35.0605 -35.0605 -35.0570 -35.0570 -35.0535 -35.0535 -16.3772 -16.3772 -16.3611 -16.3611 -16.3498 -16.3498 -16.0448 -16.0448 -16.0327 -16.0327 -16.0162 -16.0162 -15.9156 -15.9156 -15.8962 -15.8962 -15.8735 -15.8735 -10.2332 -10.2332 -10.2163 -10.2163 -10.0836 -10.0836 -2.7899 -2.7899 0.8159 0.8159 0.9168 0.9168 1.0583 1.0583 1.1416 1.1416 1.2511 1.2511 1.3184 1.3184 1.6789 1.6789 2.0291 2.0291 2.1078 2.1078 4.0986 4.0986 4.8268 4.8268 4.9038 4.9038 7.6635 7.6635 8.8520 8.8520 8.9406 8.9406 8.9767 8.9767 9.4747 9.4747 9.5092 9.5092 k = 0.0750 0.5000 0.0750 ( 6520 PWs) bands (ev): -35.0605 -35.0605 -35.0570 -35.0570 -35.0535 -35.0535 -16.3769 -16.3769 -16.3601 -16.3601 -16.3502 -16.3502 -16.0428 -16.0428 -16.0331 -16.0331 -16.0172 -16.0172 -15.9144 -15.9144 -15.8969 -15.8969 -15.8738 -15.8738 -10.2366 -10.2366 -10.2194 -10.2194 -10.0839 -10.0839 -2.7963 -2.7963 0.8196 0.8196 0.9318 0.9318 1.0732 1.0732 1.1387 1.1387 1.2515 1.2515 1.3186 1.3186 1.7105 1.7105 2.0253 2.0253 2.0966 2.0966 4.0937 4.0937 4.8602 4.8602 4.9216 4.9216 7.6192 7.6192 8.8326 8.8326 8.9323 8.9323 8.9602 8.9602 9.4396 9.4396 9.4773 9.4773 k = 0.0625 0.5000 0.0625 ( 6512 PWs) bands (ev): -35.0606 -35.0606 -35.0570 -35.0570 -35.0534 -35.0534 -16.3767 -16.3767 -16.3591 -16.3591 -16.3506 -16.3506 -16.0409 -16.0409 -16.0335 -16.0335 -16.0183 -16.0183 -15.9134 -15.9134 -15.8974 -15.8974 -15.8740 -15.8740 -10.2396 -10.2396 -10.2219 -10.2219 -10.0842 -10.0842 -2.8018 -2.8018 0.8226 0.8226 0.9448 0.9448 1.0858 1.0858 1.1367 1.1367 1.2515 1.2515 1.3187 1.3187 1.7395 1.7395 2.0209 2.0209 2.0864 2.0864 4.0893 4.0893 4.8898 4.8898 4.9373 4.9373 7.5804 7.5804 8.8156 8.8156 8.9251 8.9251 8.9468 8.9468 9.4091 9.4091 9.4499 9.4499 k = 0.0500 0.5000 0.0500 ( 6508 PWs) bands (ev): -35.0606 -35.0606 -35.0570 -35.0570 -35.0534 -35.0534 -16.3766 -16.3766 -16.3582 -16.3582 -16.3510 -16.3510 -16.0392 -16.0392 -16.0336 -16.0336 -16.0193 -16.0193 -15.9126 -15.9126 -15.8978 -15.8978 -15.8741 -15.8741 -10.2420 -10.2420 -10.2241 -10.2241 -10.0845 -10.0845 -2.8063 -2.8063 0.8249 0.8249 0.9557 0.9557 1.0957 1.0957 1.1357 1.1357 1.2511 1.2511 1.3187 1.3187 1.7654 1.7654 2.0158 2.0158 2.0778 2.0778 4.0855 4.0855 4.9146 4.9146 4.9511 4.9511 7.5476 7.5476 8.8012 8.8012 8.9188 8.9188 8.9362 8.9362 9.3836 9.3836 9.4272 9.4273 k = 0.0375 0.5000 0.0375 ( 6508 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3765 -16.3765 -16.3574 -16.3574 -16.3514 -16.3514 -16.0380 -16.0380 -16.0336 -16.0336 -16.0203 -16.0203 -15.9119 -15.9119 -15.8982 -15.8982 -15.8743 -15.8743 -10.2439 -10.2439 -10.2257 -10.2257 -10.0847 -10.0847 -2.8098 -2.8098 0.8267 0.8267 0.9642 0.9642 1.1029 1.1029 1.1358 1.1358 1.2506 1.2506 1.3187 1.3187 1.7874 1.7874 2.0102 2.0102 2.0711 2.0711 4.0825 4.0825 4.9337 4.9337 4.9630 4.9630 7.5213 7.5213 8.7897 8.7897 8.9135 8.9135 8.9286 8.9286 9.3635 9.3635 9.4095 9.4095 k = 0.0250 0.5000 0.0250 ( 6510 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3764 -16.3764 -16.3568 -16.3568 -16.3518 -16.3518 -16.0372 -16.0372 -16.0333 -16.0333 -16.0212 -16.0212 -15.9114 -15.9114 -15.8985 -15.8985 -15.8744 -15.8744 -10.2453 -10.2453 -10.2269 -10.2269 -10.0848 -10.0848 -2.8124 -2.8124 0.8280 0.8280 0.9704 0.9704 1.1075 1.1075 1.1367 1.1367 1.2500 1.2500 1.3187 1.3187 1.8046 1.8046 2.0047 2.0047 2.0664 2.0664 4.0803 4.0803 4.9467 4.9467 4.9727 4.9727 7.5022 7.5022 8.7813 8.7813 8.9094 8.9094 8.9236 8.9236 9.3489 9.3489 9.3967 9.3967 k = 0.0125 0.5000 0.0125 ( 6510 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3763 -16.3763 -16.3564 -16.3564 -16.3521 -16.3521 -16.0368 -16.0368 -16.0329 -16.0329 -16.0218 -16.0218 -15.9111 -15.9111 -15.8986 -15.8986 -15.8745 -15.8745 -10.2461 -10.2461 -10.2277 -10.2277 -10.0849 -10.0849 -2.8139 -2.8139 0.8287 0.8287 0.9741 0.9741 1.1099 1.1099 1.1377 1.1377 1.2495 1.2495 1.3187 1.3187 1.8157 1.8157 2.0005 2.0005 2.0637 2.0637 4.0790 4.0790 4.9541 4.9541 4.9792 4.9792 7.4905 7.4905 8.7762 8.7762 8.9067 8.9067 8.9208 8.9208 9.3401 9.3401 9.3890 9.3890 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -35.0607 -35.0607 -35.0570 -35.0570 -35.0533 -35.0533 -16.3763 -16.3763 -16.3562 -16.3562 -16.3523 -16.3523 -16.0368 -16.0368 -16.0327 -16.0327 -16.0220 -16.0220 -15.9110 -15.9110 -15.8987 -15.8987 -15.8746 -15.8746 -10.2464 -10.2464 -10.2279 -10.2279 -10.0849 -10.0849 -2.8144 -2.8144 0.8289 0.8289 0.9754 0.9754 1.1106 1.1106 1.1381 1.1381 1.2494 1.2494 1.3187 1.3187 1.8196 1.8196 1.9989 1.9989 2.0629 2.0629 4.0785 4.0785 4.9564 4.9564 4.9815 4.9815 7.4865 7.4865 8.7744 8.7744 8.9058 8.9058 8.9199 8.9199 9.3371 9.3371 9.3864 9.3864 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3866 -16.3866 -16.3710 -16.3710 -16.3495 -16.3495 -16.0615 -16.0615 -16.0438 -16.0438 -16.0007 -16.0007 -15.9286 -15.9286 -15.8977 -15.8977 -15.8654 -15.8654 -10.1579 -10.1579 -10.1537 -10.1537 -10.0692 -10.0692 -2.6427 -2.6427 0.6112 0.6112 0.7090 0.7090 0.7728 0.7728 1.2007 1.2007 1.2774 1.2774 1.2988 1.2988 1.3149 1.3149 1.7694 1.7694 2.3784 2.3784 4.1439 4.1439 4.1597 4.1597 4.5781 4.5781 9.2421 9.2421 9.2570 9.2570 9.2618 9.2618 9.6279 9.6279 9.6287 9.6287 9.7406 9.7406 k = 0.5000 0.5000 0.0179 ( 6504 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3867 -16.3867 -16.3711 -16.3711 -16.3495 -16.3495 -16.0620 -16.0620 -16.0434 -16.0434 -16.0007 -16.0007 -15.9288 -15.9288 -15.8975 -15.8975 -15.8654 -15.8654 -10.1576 -10.1576 -10.1534 -10.1534 -10.0692 -10.0692 -2.6421 -2.6421 0.6104 0.6104 0.7079 0.7079 0.7715 0.7715 1.1998 1.1998 1.2771 1.2771 1.2980 1.2980 1.3128 1.3128 1.7729 1.7729 2.3783 2.3783 4.1442 4.1442 4.1600 4.1600 4.5768 4.5768 9.2428 9.2428 9.2555 9.2555 9.2603 9.2603 9.6342 9.6342 9.6350 9.6350 9.7421 9.7421 k = 0.5000 0.5000 0.0357 ( 6512 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3868 -16.3868 -16.3714 -16.3714 -16.3493 -16.3493 -16.0632 -16.0632 -16.0422 -16.0422 -16.0008 -16.0008 -15.9294 -15.9294 -15.8969 -15.8969 -15.8654 -15.8654 -10.1568 -10.1568 -10.1526 -10.1526 -10.0691 -10.0691 -2.6401 -2.6401 0.6081 0.6081 0.7045 0.7045 0.7677 0.7677 1.1970 1.1970 1.2763 1.2763 1.2950 1.2950 1.3073 1.3073 1.7833 1.7833 2.3779 2.3779 4.1451 4.1451 4.1610 4.1610 4.5732 4.5732 9.2447 9.2447 9.2516 9.2516 9.2564 9.2564 9.6524 9.6524 9.6533 9.6533 9.7466 9.7466 k = 0.5000 0.5000 0.0536 ( 6508 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3869 -16.3869 -16.3719 -16.3719 -16.3491 -16.3491 -16.0650 -16.0650 -16.0406 -16.0406 -16.0009 -16.0009 -15.9303 -15.9303 -15.8960 -15.8960 -15.8654 -15.8654 -10.1555 -10.1555 -10.1512 -10.1512 -10.0691 -10.0691 -2.6368 -2.6368 0.6042 0.6042 0.6990 0.6990 0.7614 0.7614 1.1920 1.1920 1.2750 1.2750 1.2879 1.2879 1.3017 1.3017 1.7996 1.7996 2.3773 2.3773 4.1466 4.1466 4.1625 4.1625 4.5672 4.5672 9.2464 9.2464 9.2473 9.2473 9.2519 9.2519 9.6812 9.6812 9.6822 9.6822 9.7542 9.7542 k = 0.5000 0.5000 0.0714 ( 6504 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3871 -16.3871 -16.3727 -16.3727 -16.3488 -16.3488 -16.0671 -16.0671 -16.0387 -16.0387 -16.0010 -16.0010 -15.9314 -15.9314 -15.8947 -15.8947 -15.8654 -15.8654 -10.1536 -10.1536 -10.1493 -10.1493 -10.0691 -10.0691 -2.6323 -2.6323 0.5988 0.5988 0.6913 0.6913 0.7526 0.7526 1.1841 1.1841 1.2732 1.2732 1.2770 1.2770 1.2976 1.2976 1.8207 1.8207 2.3764 2.3764 4.1487 4.1487 4.1646 4.1646 4.5589 4.5589 9.2412 9.2412 9.2451 9.2451 9.2537 9.2537 9.7190 9.7190 9.7200 9.7200 9.7649 9.7649 k = 0.5000 0.5000 0.0893 ( 6512 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3874 -16.3874 -16.3735 -16.3735 -16.3485 -16.3485 -16.0695 -16.0695 -16.0366 -16.0366 -16.0012 -16.0012 -15.9328 -15.9328 -15.8933 -15.8933 -15.8653 -15.8653 -10.1512 -10.1512 -10.1470 -10.1470 -10.0690 -10.0690 -2.6265 -2.6265 0.5919 0.5919 0.6816 0.6816 0.7415 0.7415 1.1726 1.1726 1.2650 1.2650 1.2711 1.2711 1.2940 1.2940 1.8455 1.8455 2.3753 2.3753 4.1512 4.1512 4.1671 4.1671 4.5484 4.5484 9.2374 9.2374 9.2415 9.2415 9.2596 9.2596 9.7641 9.7641 9.7644 9.7644 9.7793 9.7793 k = 0.5000 0.5000 0.1071 ( 6504 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3877 -16.3877 -16.3746 -16.3746 -16.3481 -16.3481 -16.0719 -16.0719 -16.0345 -16.0345 -16.0014 -16.0014 -15.9342 -15.9342 -15.8917 -15.8917 -15.8653 -15.8653 -10.1483 -10.1483 -10.1441 -10.1441 -10.0689 -10.0689 -2.6195 -2.6195 0.5837 0.5837 0.6698 0.6698 0.7282 0.7282 1.1572 1.1572 1.2541 1.2541 1.2686 1.2686 1.2903 1.2903 1.8731 1.8731 2.3740 2.3740 4.1541 4.1541 4.1701 4.1701 4.5359 4.5359 9.2358 9.2358 9.2400 9.2400 9.2671 9.2671 9.7933 9.7933 9.8150 9.8150 9.8176 9.8176 k = 0.5000 0.5000 0.1250 ( 6512 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3881 -16.3881 -16.3757 -16.3757 -16.3478 -16.3478 -16.0744 -16.0744 -16.0323 -16.0323 -16.0016 -16.0016 -15.9358 -15.9358 -15.8900 -15.8900 -15.8653 -15.8653 -10.1451 -10.1451 -10.1408 -10.1408 -10.0689 -10.0689 -2.6115 -2.6115 0.5741 0.5741 0.6561 0.6561 0.7128 0.7128 1.1381 1.1381 1.2449 1.2449 1.2660 1.2660 1.2864 1.2864 1.9025 1.9025 2.3725 2.3725 4.1573 4.1573 4.1734 4.1734 4.5215 4.5215 9.2370 9.2370 9.2413 9.2413 9.2762 9.2762 9.8126 9.8126 9.8702 9.8702 9.8711 9.8711 k = 0.5000 0.5000 0.1429 ( 6528 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3885 -16.3885 -16.3770 -16.3770 -16.3474 -16.3474 -16.0770 -16.0770 -16.0302 -16.0302 -16.0019 -16.0019 -15.9375 -15.9375 -15.8882 -15.8882 -15.8654 -15.8654 -10.1414 -10.1414 -10.1372 -10.1372 -10.0688 -10.0688 -2.6024 -2.6024 0.5634 0.5634 0.6406 0.6406 0.6955 0.6955 1.1163 1.1163 1.2375 1.2375 1.2633 1.2633 1.2825 1.2825 1.9332 1.9332 2.3708 2.3708 4.1608 4.1608 4.1769 4.1769 4.5056 4.5056 9.2414 9.2414 9.2458 9.2458 9.2867 9.2867 9.8340 9.8340 9.8885 9.8885 9.9238 9.9248 k = 0.5000 0.5000 0.1607 ( 6512 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3889 -16.3889 -16.3782 -16.3782 -16.3470 -16.3470 -16.0795 -16.0795 -16.0281 -16.0281 -16.0022 -16.0022 -15.9391 -15.9391 -15.8864 -15.8864 -15.8653 -15.8653 -10.1374 -10.1374 -10.1332 -10.1332 -10.0687 -10.0687 -2.5925 -2.5925 0.5515 0.5515 0.6235 0.6235 0.6766 0.6766 1.0926 1.0926 1.2313 1.2313 1.2606 1.2606 1.2786 1.2786 1.9645 1.9645 2.3689 2.3689 4.1644 4.1644 4.1806 4.1806 4.4882 4.4882 9.2492 9.2492 9.2537 9.2537 9.2988 9.2988 9.8579 9.8579 9.8928 9.8928 9.9128 9.9128 k = 0.5000 0.5000 0.1786 ( 6520 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3894 -16.3894 -16.3796 -16.3796 -16.3467 -16.3467 -16.0820 -16.0820 -16.0261 -16.0261 -16.0025 -16.0025 -15.9408 -15.9408 -15.8845 -15.8845 -15.8653 -15.8653 -10.1330 -10.1330 -10.1288 -10.1288 -10.0686 -10.0686 -2.5816 -2.5816 0.5386 0.5386 0.6050 0.6050 0.6563 0.6563 1.0679 1.0679 1.2261 1.2261 1.2580 1.2580 1.2747 1.2747 1.9960 1.9960 2.3670 2.3670 4.1680 4.1680 4.1843 4.1843 4.4696 4.4696 9.2605 9.2605 9.2651 9.2651 9.3125 9.3125 9.8837 9.8837 9.8971 9.8971 9.8996 9.8996 k = 0.5000 0.5000 0.1964 ( 6512 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3899 -16.3899 -16.3810 -16.3810 -16.3464 -16.3464 -16.0844 -16.0844 -16.0241 -16.0241 -16.0029 -16.0029 -15.9424 -15.9424 -15.8827 -15.8827 -15.8653 -15.8653 -10.1285 -10.1285 -10.1243 -10.1243 -10.0685 -10.0685 -2.5701 -2.5701 0.5249 0.5249 0.5854 0.5854 0.6349 0.6349 1.0429 1.0429 1.2214 1.2214 1.2554 1.2554 1.2709 1.2709 2.0274 2.0274 2.3649 2.3649 4.1716 4.1716 4.1879 4.1879 4.4502 4.4502 9.2752 9.2752 9.2800 9.2800 9.3278 9.3278 9.8923 9.8923 9.9006 9.9006 9.9123 9.9123 k = 0.5000 0.5000 0.2143 ( 6512 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3904 -16.3904 -16.3823 -16.3823 -16.3461 -16.3461 -16.0868 -16.0868 -16.0222 -16.0222 -16.0032 -16.0032 -15.9440 -15.9440 -15.8809 -15.8809 -15.8652 -15.8652 -10.1237 -10.1237 -10.1196 -10.1196 -10.0683 -10.0683 -2.5580 -2.5580 0.5104 0.5104 0.5648 0.5648 0.6126 0.6126 1.0181 1.0181 1.2173 1.2173 1.2530 1.2530 1.2672 1.2672 2.0583 2.0583 2.3627 2.3627 4.1751 4.1751 4.1915 4.1915 4.4301 4.4301 9.2932 9.2932 9.2982 9.2982 9.3447 9.3447 9.8907 9.8907 9.9049 9.9049 9.9418 9.9419 k = 0.5000 0.5000 0.2321 ( 6496 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3909 -16.3909 -16.3837 -16.3837 -16.3458 -16.3458 -16.0890 -16.0890 -16.0205 -16.0205 -16.0035 -16.0035 -15.9455 -15.9455 -15.8792 -15.8792 -15.8652 -15.8652 -10.1188 -10.1188 -10.1147 -10.1147 -10.0682 -10.0682 -2.5455 -2.5455 0.4954 0.4954 0.5436 0.5436 0.5899 0.5899 0.9938 0.9938 1.2135 1.2135 1.2508 1.2508 1.2637 1.2637 2.0885 2.0885 2.3605 2.3605 4.1785 4.1785 4.1950 4.1950 4.4096 4.4096 9.3143 9.3143 9.3194 9.3194 9.3633 9.3633 9.8948 9.8948 9.9089 9.9089 9.9729 9.9730 k = 0.5000 0.5000 0.2500 ( 6504 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3915 -16.3915 -16.3851 -16.3851 -16.3456 -16.3456 -16.0912 -16.0912 -16.0188 -16.0188 -16.0039 -16.0039 -15.9470 -15.9470 -15.8775 -15.8775 -15.8652 -15.8652 -10.1139 -10.1139 -10.1098 -10.1098 -10.0681 -10.0681 -2.5327 -2.5327 0.4800 0.4800 0.5220 0.5220 0.5670 0.5670 0.9703 0.9703 1.2101 1.2101 1.2488 1.2488 1.2604 1.2604 2.1176 2.1176 2.3583 2.3583 4.1817 4.1817 4.1982 4.1982 4.3890 4.3890 9.3383 9.3383 9.3436 9.3436 9.3834 9.3834 9.9043 9.9043 9.9126 9.9126 10.0053 10.0055 k = 0.5000 0.5000 0.2679 ( 6504 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3920 -16.3920 -16.3865 -16.3865 -16.3453 -16.3453 -16.0933 -16.0933 -16.0172 -16.0172 -16.0043 -16.0043 -15.9484 -15.9484 -15.8759 -15.8759 -15.8652 -15.8652 -10.1089 -10.1089 -10.1048 -10.1048 -10.0680 -10.0680 -2.5197 -2.5197 0.4643 0.4643 0.5004 0.5004 0.5442 0.5442 0.9478 0.9478 1.2069 1.2069 1.2469 1.2469 1.2573 1.2573 2.1456 2.1456 2.3560 2.3560 4.1846 4.1846 4.2012 4.2012 4.3685 4.3685 9.3649 9.3649 9.3703 9.3703 9.4052 9.4052 9.9159 9.9159 9.9191 9.9191 10.0384 10.0384 k = 0.5000 0.5000 0.2857 ( 6512 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3926 -16.3926 -16.3878 -16.3878 -16.3452 -16.3452 -16.0953 -16.0953 -16.0157 -16.0157 -16.0046 -16.0046 -15.9497 -15.9497 -15.8744 -15.8744 -15.8652 -15.8652 -10.1040 -10.1040 -10.1000 -10.1000 -10.0678 -10.0678 -2.5068 -2.5068 0.4486 0.4486 0.4790 0.4790 0.5218 0.5218 0.9264 0.9264 1.2041 1.2041 1.2453 1.2453 1.2544 1.2544 2.1722 2.1722 2.3538 2.3538 4.1872 4.1872 4.2040 4.2040 4.3485 4.3485 9.3938 9.3938 9.3993 9.3993 9.4285 9.4285 9.9187 9.9187 9.9389 9.9389 10.0720 10.0723 k = 0.5000 0.5000 0.3036 ( 6520 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3931 -16.3931 -16.3891 -16.3891 -16.3450 -16.3450 -16.0971 -16.0971 -16.0144 -16.0144 -16.0050 -16.0050 -15.9509 -15.9509 -15.8730 -15.8730 -15.8652 -15.8652 -10.0992 -10.0992 -10.0952 -10.0952 -10.0677 -10.0677 -2.4940 -2.4940 0.4330 0.4330 0.4581 0.4581 0.5002 0.5002 0.9064 0.9064 1.2015 1.2015 1.2438 1.2438 1.2517 1.2517 2.1973 2.1973 2.3517 2.3517 4.1895 4.1895 4.2064 4.2064 4.3291 4.3291 9.4245 9.4245 9.4299 9.4299 9.4534 9.4534 9.9208 9.9208 9.9634 9.9634 10.1056 10.1058 k = 0.5000 0.5000 0.3214 ( 6516 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3936 -16.3936 -16.3903 -16.3903 -16.3449 -16.3449 -16.0988 -16.0988 -16.0132 -16.0132 -16.0053 -16.0053 -15.9521 -15.9521 -15.8716 -15.8716 -15.8651 -15.8651 -10.0946 -10.0946 -10.0907 -10.0907 -10.0675 -10.0675 -2.4816 -2.4816 0.4177 0.4177 0.4381 0.4381 0.4796 0.4796 0.8878 0.8878 1.1992 1.1992 1.2425 1.2425 1.2492 1.2492 2.2207 2.2207 2.3496 2.3496 4.1915 4.1915 4.2086 4.2086 4.3107 4.3107 9.4567 9.4567 9.4618 9.4618 9.4800 9.4800 9.9221 9.9221 9.9924 9.9924 10.1389 10.1397 k = 0.5000 0.5000 0.3393 ( 6536 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3942 -16.3942 -16.3914 -16.3914 -16.3448 -16.3448 -16.1004 -16.1004 -16.0120 -16.0120 -16.0057 -16.0057 -15.9531 -15.9531 -15.8704 -15.8704 -15.8651 -15.8651 -10.0902 -10.0902 -10.0864 -10.0864 -10.0673 -10.0673 -2.4698 -2.4698 0.4030 0.4030 0.4190 0.4190 0.4603 0.4603 0.8708 0.8708 1.1971 1.1971 1.2414 1.2414 1.2470 1.2470 2.2423 2.2423 2.3477 2.3477 4.1933 4.1933 4.2106 4.2106 4.2933 4.2933 9.4899 9.4899 9.4941 9.4941 9.5082 9.5082 9.9222 9.9222 10.0256 10.0256 10.1716 10.2075 k = 0.5000 0.5000 0.3571 ( 6552 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3947 -16.3947 -16.3925 -16.3925 -16.3447 -16.3447 -16.1019 -16.1019 -16.0110 -16.0110 -16.0060 -16.0060 -15.9541 -15.9541 -15.8693 -15.8693 -15.8651 -15.8651 -10.0861 -10.0861 -10.0824 -10.0824 -10.0671 -10.0671 -2.4586 -2.4586 0.3891 0.3891 0.4013 0.4013 0.4426 0.4426 0.8553 0.8553 1.1953 1.1953 1.2404 1.2404 1.2449 1.2449 2.2619 2.2619 2.3459 2.3459 4.1946 4.1946 4.2122 4.2122 4.2774 4.2774 9.5235 9.5235 9.5257 9.5257 9.5383 9.5383 9.9211 9.9211 10.0626 10.0626 10.2028 10.2037 k = 0.5000 0.5000 0.3750 ( 6536 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3951 -16.3951 -16.3934 -16.3934 -16.3446 -16.3446 -16.1031 -16.1031 -16.0101 -16.0101 -16.0062 -16.0062 -15.9549 -15.9549 -15.8683 -15.8683 -15.8651 -15.8651 -10.0824 -10.0824 -10.0789 -10.0789 -10.0669 -10.0669 -2.4483 -2.4483 0.3761 0.3761 0.3851 0.3851 0.4265 0.4265 0.8415 0.8415 1.1937 1.1937 1.2396 1.2396 1.2431 1.2431 2.2795 2.2795 2.3443 2.3443 4.1957 4.1957 4.2137 4.2137 4.2630 4.2630 9.5563 9.5563 9.5569 9.5569 9.5700 9.5700 9.9184 9.9184 10.1032 10.1032 10.2311 10.2370 k = 0.5000 0.5000 0.3929 ( 6544 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3955 -16.3955 -16.3942 -16.3942 -16.3446 -16.3446 -16.1042 -16.1042 -16.0094 -16.0094 -16.0065 -16.0065 -15.9556 -15.9556 -15.8675 -15.8675 -15.8651 -15.8651 -10.0791 -10.0791 -10.0758 -10.0758 -10.0665 -10.0665 -2.4390 -2.4390 0.3643 0.3643 0.3707 0.3707 0.4123 0.4123 0.8295 0.8295 1.1923 1.1923 1.2389 1.2389 1.2415 1.2415 2.2949 2.2949 2.3428 2.3428 4.1963 4.1963 4.2148 4.2148 4.2504 4.2504 9.5860 9.5860 9.5893 9.5893 9.6018 9.6018 9.9141 9.9141 10.1469 10.1469 10.2575 10.2594 k = 0.5000 0.5000 0.4107 ( 6544 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3958 -16.3958 -16.3949 -16.3949 -16.3445 -16.3445 -16.1051 -16.1051 -16.0087 -16.0087 -16.0067 -16.0067 -15.9563 -15.9563 -15.8668 -15.8668 -15.8651 -15.8651 -10.0762 -10.0762 -10.0733 -10.0733 -10.0661 -10.0661 -2.4309 -2.4309 0.3538 0.3538 0.3581 0.3581 0.4001 0.4001 0.8192 0.8192 1.1912 1.1912 1.2383 1.2383 1.2402 1.2402 2.3081 2.3081 2.3415 2.3415 4.1966 4.1966 4.2158 4.2158 4.2397 4.2397 9.6146 9.6146 9.6199 9.6199 9.6324 9.6324 9.9080 9.9080 10.1934 10.1934 10.2812 10.2881 k = 0.5000 0.5000 0.4286 ( 6560 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3961 -16.3961 -16.3955 -16.3955 -16.3445 -16.3445 -16.1059 -16.1059 -16.0082 -16.0082 -16.0069 -16.0069 -15.9568 -15.9568 -15.8662 -15.8662 -15.8651 -15.8651 -10.0737 -10.0737 -10.0715 -10.0715 -10.0654 -10.0654 -2.4241 -2.4241 0.3450 0.3450 0.3477 0.3477 0.3900 0.3900 0.8107 0.8107 1.1903 1.1903 1.2379 1.2379 1.2391 1.2391 2.3189 2.3189 2.3404 2.3404 4.1963 4.1963 4.2165 4.2165 4.2312 4.2312 9.6417 9.6417 9.6475 9.6475 9.6604 9.6604 9.9002 9.9002 10.2421 10.2421 10.3014 10.3103 k = 0.5000 0.5000 0.4464 ( 6564 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3963 -16.3963 -16.3960 -16.3960 -16.3445 -16.3445 -16.1066 -16.1066 -16.0077 -16.0077 -16.0070 -16.0070 -15.9572 -15.9572 -15.8657 -15.8657 -15.8651 -15.8651 -10.0718 -10.0718 -10.0704 -10.0704 -10.0646 -10.0646 -2.4186 -2.4186 0.3379 0.3379 0.3394 0.3394 0.3821 0.3821 0.8041 0.8041 1.1896 1.1896 1.2375 1.2375 1.2382 1.2382 2.3275 2.3275 2.3396 2.3396 4.1957 4.1957 4.2171 4.2171 4.2249 4.2249 9.6662 9.6662 9.6710 9.6710 9.6845 9.6845 9.8913 9.8913 10.2922 10.2922 10.3177 10.3186 k = 0.5000 0.5000 0.4643 ( 6548 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3965 -16.3965 -16.3963 -16.3963 -16.3445 -16.3445 -16.1070 -16.1070 -16.0074 -16.0074 -16.0071 -16.0071 -15.9574 -15.9574 -15.8654 -15.8654 -15.8650 -15.8650 -10.0704 -10.0704 -10.0697 -10.0697 -10.0638 -10.0638 -2.4147 -2.4147 0.3328 0.3328 0.3334 0.3334 0.3764 0.3764 0.7994 0.7994 1.1891 1.1891 1.2373 1.2373 1.2376 1.2376 2.3336 2.3336 2.3390 2.3390 4.1949 4.1949 4.2175 4.2175 4.2208 4.2208 9.6863 9.6863 9.6891 9.6891 9.7035 9.7035 9.8823 9.8823 10.3291 10.3305 10.3415 10.3418 k = 0.5000 0.5000 0.4821 ( 6500 PWs) bands (ev): -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -35.0569 -16.3965 -16.3965 -16.3964 -16.3964 -16.3444 -16.3444 -16.1071 -16.1071 -16.0072 -16.0072 -16.0071 -16.0071 -15.9575 -15.9575 -15.8651 -15.8651 -15.8650 -15.8650 -10.0696 -10.0696 -10.0694 -10.0694 -10.0633 -10.0633 -2.4123 -2.4123 0.3297 0.3297 0.3298 0.3298 0.3730 0.3730 0.7965 0.7965 1.1888 1.1888 1.2372 1.2372 1.2373 1.2373 2.3373 2.3373 2.3386 2.3386 4.1941 4.1941 4.2178 4.2178 4.2186 4.2186 9.6997 9.6997 9.7006 9.7006 9.7160 9.7160 9.8754 9.8754 10.3362 10.3389 10.3424 10.3436 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -35.0568 -35.0568 -35.0568 -35.0568 -35.0568 -35.0568 -16.3965 -16.3965 -16.3965 -16.3965 -16.3444 -16.3444 -16.1072 -16.1072 -16.0071 -16.0071 -16.0071 -16.0071 -15.9576 -15.9576 -15.8650 -15.8650 -15.8650 -15.8650 -10.0693 -10.0693 -10.0693 -10.0693 -10.0631 -10.0631 -2.4115 -2.4115 0.3286 0.3286 0.3286 0.3286 0.3718 0.3718 0.7956 0.7956 1.1887 1.1887 1.2371 1.2371 1.2371 1.2371 2.3385 2.3385 2.3385 2.3385 4.1938 4.1938 4.2179 4.2179 4.2179 4.2179 9.7045 9.7045 9.7045 9.7045 9.7204 9.7204 9.8727 9.8727 10.3378 10.3395 10.3405 10.3424 Writing output data file Ca3PCl3.save init_run : 0.38s CPU 0.69s WALL ( 1 calls) electrons : 526.39s CPU 532.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 526.38s CPU 532.91s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.13s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 218 calls) cegterg : 509.59s CPU 514.96s WALL ( 1077 calls) Called by sum_band: Called by *egterg: h_psi : 219.25s CPU 222.66s WALL ( 21804 calls) s_psi : 22.72s CPU 22.47s WALL ( 21804 calls) g_psi : 0.60s CPU 0.70s WALL ( 20509 calls) cdiaghg : 214.62s CPU 216.30s WALL ( 20727 calls) cegterg:over : 22.10s CPU 22.39s WALL ( 20509 calls) cegterg:upda : 25.28s CPU 25.30s WALL ( 20509 calls) cegterg:last : 7.66s CPU 7.68s WALL ( 1860 calls) cdiaghg:chol : 12.58s CPU 12.42s WALL ( 20727 calls) cdiaghg:inve : 8.51s CPU 8.77s WALL ( 20727 calls) cdiaghg:para : 14.12s CPU 14.36s WALL ( 41454 calls) Called by h_psi: h_psi:vloc : 171.14s CPU 174.01s WALL ( 21804 calls) h_psi:vnl : 47.29s CPU 47.75s WALL ( 21804 calls) add_vuspsi : 25.98s CPU 26.14s WALL ( 21804 calls) General routines calbec : 21.25s CPU 21.55s WALL ( 21804 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 159.36s CPU 162.27s WALL ( 1508184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.23s WALL ( 436 calls) Parallel routines fft_scatter : 56.39s CPU 57.57s WALL ( 1508207 calls) PWSCF : 9m 5.23s CPU 9m28.06s WALL This run was terminated on: 16:43:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=