Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:11: 8 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: ./BaOsO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 41 27 8 1203 664 108 Max 42 28 9 1208 682 113 Sum 1481 1005 293 43387 24207 3911 bravais-lattice index = 14 lattice parameter (alat) = 7.6075 a.u. unit-cell volume = 440.2815 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.607527 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Os read from file: /users/gautes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Os 16.00 190.23000 Os( 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= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032680 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032680 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032680 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032680 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032680 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032680 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032680 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032680 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032680 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032680 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032680 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032680 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032680 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032680 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032680 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032680 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032680 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032680 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032680 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032680 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032680 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032680 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032680 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032680 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032680 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032680 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032680 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032680 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032680 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032680 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032680 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032680 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032680 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032680 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032680 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032680 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032680 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032680 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032680 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032680 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032680 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032680 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032680 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032680 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032680 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032680 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032680 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032680 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032680 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032680 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032680 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032680 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032680 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032680 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032680 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032680 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032680 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032680 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032680 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032680 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032680 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032680 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032680 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032680 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032680 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032680 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032680 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032680 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032680 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032680 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032680 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032680 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032680 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032680 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032680 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032680 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032680 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032680 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032680 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032680 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032680 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032680 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032680 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032680 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032680 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032680 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032680 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032680 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032680 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032680 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032680 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032680 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032680 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032680 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032680 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 141) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0032680 k( 142) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0032680 k( 143) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0032680 k( 144) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0032680 k( 145) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0032680 k( 146) = ( 0.0441177 0.0441176 0.0441176), wk = 0.0032680 k( 147) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0032680 k( 148) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0032680 k( 149) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0032680 k( 150) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0032680 k( 151) = ( 0.0808824 0.0808823 0.0808823), wk = 0.0032680 k( 152) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0032680 k( 153) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0032680 k( 154) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0032680 k( 155) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0032680 k( 156) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0032680 k( 157) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032680 k( 158) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0032680 k( 159) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0032680 k( 160) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0032680 k( 161) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0032680 k( 162) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0032680 k( 163) = ( 0.1691177 0.1691176 0.1691176), wk = 0.0032680 k( 164) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0032680 k( 165) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0032680 k( 166) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0032680 k( 167) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0032680 k( 168) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0032680 k( 169) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0032680 k( 170) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0032680 k( 171) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0032680 k( 172) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0032680 k( 173) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0032680 k( 174) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 175) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0032680 k( 176) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0032680 k( 177) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0032680 k( 178) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0032680 k( 179) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0032680 k( 180) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0032680 k( 181) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0032680 k( 182) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0032680 k( 183) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0032680 k( 184) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0032680 k( 185) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0032680 k( 186) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0032680 k( 187) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0032680 k( 188) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0032680 k( 189) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0032680 k( 190) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0032680 k( 191) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032680 k( 192) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0032680 k( 193) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0032680 k( 194) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0032680 k( 195) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0032680 k( 196) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0032680 k( 197) = ( 0.4191177 0.4191176 0.4191176), wk = 0.0032680 k( 198) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0032680 k( 199) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0032680 k( 200) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0032680 k( 201) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0032680 k( 202) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0032680 k( 203) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0032680 k( 204) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0032680 k( 205) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0032680 k( 206) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0032680 k( 207) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0032680 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 210) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032680 k( 211) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032680 k( 212) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032680 k( 213) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032680 k( 214) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032680 k( 215) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032680 k( 216) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032680 k( 217) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032680 k( 218) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032680 k( 219) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032680 k( 220) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032680 k( 221) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032680 k( 222) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032680 k( 223) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032680 k( 224) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032680 k( 225) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032680 k( 226) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032680 k( 227) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032680 k( 228) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032680 k( 229) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032680 k( 230) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032680 k( 231) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032680 k( 232) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032680 k( 233) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032680 k( 234) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032680 k( 235) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032680 k( 236) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032680 k( 237) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032680 k( 238) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032680 k( 239) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032680 k( 240) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032680 k( 241) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032680 k( 242) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032680 k( 243) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032680 k( 244) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032680 k( 245) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032680 k( 246) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032680 k( 247) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032680 k( 248) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032680 k( 249) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032680 k( 250) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032680 k( 251) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032680 k( 252) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032680 k( 253) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032680 k( 254) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032680 k( 255) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032680 k( 256) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032680 k( 257) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032680 k( 258) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032680 k( 259) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032680 k( 260) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032680 k( 261) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032680 k( 262) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032680 k( 263) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032680 k( 264) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032680 k( 265) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 266) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 267) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032680 k( 268) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032680 k( 269) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032680 k( 270) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032680 k( 271) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032680 k( 272) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032680 k( 273) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032680 k( 274) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032680 k( 275) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032680 k( 276) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032680 k( 277) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032680 k( 278) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032680 k( 279) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032680 k( 280) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032680 k( 281) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032680 k( 282) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032680 k( 283) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032680 k( 284) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032680 k( 285) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032680 k( 286) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032680 k( 287) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032680 k( 288) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032680 k( 289) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032680 k( 290) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032680 k( 291) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032680 k( 292) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032680 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032680 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032680 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032680 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032680 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032680 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032680 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032680 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032680 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032680 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032680 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032680 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032680 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032680 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032680 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032680 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032680 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032680 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032680 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032680 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032680 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032680 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032680 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032680 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032680 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032680 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032680 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032680 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032680 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032680 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032680 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032680 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032680 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032680 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032680 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032680 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032680 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032680 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032680 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032680 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032680 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032680 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032680 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032680 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032680 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032680 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032680 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032680 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032680 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032680 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032680 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032680 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032680 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032680 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032680 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032680 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032680 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032680 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032680 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032680 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032680 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032680 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032680 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032680 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032680 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032680 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032680 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032680 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032680 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032680 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032680 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032680 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032680 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032680 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032680 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032680 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032680 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032680 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032680 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032680 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032680 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032680 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032680 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032680 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032680 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032680 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032680 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032680 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032680 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032680 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032680 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032680 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032680 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032680 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032680 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032680 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 141) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0032680 k( 142) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0032680 k( 143) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0032680 k( 144) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0032680 k( 145) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0032680 k( 146) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0032680 k( 147) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0032680 k( 148) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0032680 k( 149) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0032680 k( 150) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0032680 k( 151) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0032680 k( 152) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0032680 k( 153) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0032680 k( 154) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0032680 k( 155) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0032680 k( 156) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0032680 k( 157) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032680 k( 158) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0032680 k( 159) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0032680 k( 160) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0032680 k( 161) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0032680 k( 162) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0032680 k( 163) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0032680 k( 164) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0032680 k( 165) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0032680 k( 166) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0032680 k( 167) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0032680 k( 168) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0032680 k( 169) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0032680 k( 170) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0032680 k( 171) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0032680 k( 172) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0032680 k( 173) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0032680 k( 174) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 175) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0032680 k( 176) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0032680 k( 177) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0032680 k( 178) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0032680 k( 179) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0032680 k( 180) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0032680 k( 181) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0032680 k( 182) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0032680 k( 183) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0032680 k( 184) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0032680 k( 185) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0032680 k( 186) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0032680 k( 187) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0032680 k( 188) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0032680 k( 189) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0032680 k( 190) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0032680 k( 191) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032680 k( 192) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0032680 k( 193) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0032680 k( 194) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0032680 k( 195) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0032680 k( 196) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0032680 k( 197) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0032680 k( 198) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0032680 k( 199) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0032680 k( 200) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0032680 k( 201) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0032680 k( 202) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0032680 k( 203) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0032680 k( 204) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0032680 k( 205) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0032680 k( 206) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0032680 k( 207) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0032680 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 210) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032680 k( 211) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032680 k( 212) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032680 k( 213) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032680 k( 214) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032680 k( 215) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032680 k( 216) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032680 k( 217) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032680 k( 218) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032680 k( 219) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032680 k( 220) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032680 k( 221) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032680 k( 222) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032680 k( 223) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032680 k( 224) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032680 k( 225) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032680 k( 226) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032680 k( 227) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032680 k( 228) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032680 k( 229) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032680 k( 230) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032680 k( 231) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032680 k( 232) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032680 k( 233) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032680 k( 234) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032680 k( 235) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032680 k( 236) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032680 k( 237) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032680 k( 238) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032680 k( 239) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032680 k( 240) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032680 k( 241) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032680 k( 242) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032680 k( 243) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032680 k( 244) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032680 k( 245) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032680 k( 246) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032680 k( 247) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032680 k( 248) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032680 k( 249) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032680 k( 250) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032680 k( 251) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032680 k( 252) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032680 k( 253) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032680 k( 254) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032680 k( 255) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032680 k( 256) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032680 k( 257) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032680 k( 258) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032680 k( 259) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032680 k( 260) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032680 k( 261) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032680 k( 262) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032680 k( 263) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032680 k( 264) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032680 k( 265) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 266) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 267) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032680 k( 268) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032680 k( 269) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032680 k( 270) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032680 k( 271) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032680 k( 272) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032680 k( 273) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032680 k( 274) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032680 k( 275) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032680 k( 276) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032680 k( 277) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032680 k( 278) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032680 k( 279) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032680 k( 280) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032680 k( 281) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032680 k( 282) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032680 k( 283) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032680 k( 284) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032680 k( 285) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032680 k( 286) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032680 k( 287) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032680 k( 288) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032680 k( 289) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032680 k( 290) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032680 k( 291) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032680 k( 292) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 Dense grid: 43387 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 24207 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 164, 52) NL pseudopotentials 0.14 Mb ( 82, 111) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1207) G-vector shells 0.00 Mb ( 293) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 164, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.18 Mb ( 111, 2, 52) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BaOsO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.2 secs Computing kpt #: 19 total cpu time spent up to now is 8.5 secs Computing kpt #: 20 total cpu time spent up to now is 8.9 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.9 secs Computing kpt #: 24 total cpu time spent up to now is 10.2 secs Computing kpt #: 25 total cpu time spent up to now is 10.5 secs Computing kpt #: 26 total cpu time spent up to now is 10.9 secs Computing kpt #: 27 total cpu time spent up to now is 11.2 secs Computing kpt #: 28 total cpu time spent up to now is 11.5 secs Computing kpt #: 29 total cpu time spent up to now is 11.9 secs Computing kpt #: 30 total cpu time spent up to now is 12.2 secs Computing kpt #: 31 total cpu time spent up to now is 12.5 secs Computing kpt #: 32 total cpu time spent up to now is 12.9 secs Computing kpt #: 33 total cpu time spent up to now is 13.2 secs Computing kpt #: 34 total cpu time spent up to now is 13.6 secs Computing kpt #: 35 total cpu time spent up to now is 13.9 secs Computing kpt #: 36 total cpu time spent up to now is 14.3 secs Computing kpt #: 37 total cpu time spent up to now is 14.6 secs Computing kpt #: 38 total cpu time spent up to now is 15.0 secs Computing kpt #: 39 total cpu time spent up to now is 15.3 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.4 secs Computing kpt #: 43 total cpu time spent up to now is 16.8 secs Computing kpt #: 44 total cpu time spent up to now is 17.1 secs Computing kpt #: 45 total cpu time spent up to now is 17.5 secs Computing kpt #: 46 total cpu time spent up to now is 17.8 secs Computing kpt #: 47 total cpu time spent up to now is 18.2 secs Computing kpt #: 48 total cpu time spent up to now is 18.5 secs Computing kpt #: 49 total cpu time spent up to now is 18.9 secs Computing kpt #: 50 total cpu time spent up to now is 19.2 secs Computing kpt #: 51 total cpu time spent up to now is 19.5 secs Computing kpt #: 52 total cpu time spent up to now is 19.9 secs Computing kpt #: 53 total cpu time spent up to now is 20.2 secs Computing kpt #: 54 total cpu time spent up to now is 20.5 secs Computing kpt #: 55 total cpu time spent up to now is 20.9 secs Computing kpt #: 56 total cpu time spent up to now is 21.2 secs Computing kpt #: 57 total cpu time spent up to now is 21.5 secs Computing kpt #: 58 total cpu time spent up to now is 21.8 secs Computing kpt #: 59 total cpu time spent up to now is 22.2 secs Computing kpt #: 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27.5 secs Computing kpt #: 76 total cpu time spent up to now is 27.9 secs Computing kpt #: 77 total cpu time spent up to now is 28.2 secs Computing kpt #: 78 total cpu time spent up to now is 28.5 secs Computing kpt #: 79 total cpu time spent up to now is 28.8 secs Computing kpt #: 80 total cpu time spent up to now is 29.1 secs Computing kpt #: 81 total cpu time spent up to now is 29.5 secs Computing kpt #: 82 total cpu time spent up to now is 29.8 secs Computing kpt #: 83 total cpu time spent up to now is 30.1 secs Computing kpt #: 84 total cpu time spent up to now is 30.4 secs Computing kpt #: 85 total cpu time spent up to now is 30.7 secs Computing kpt #: 86 total cpu time spent up to now is 31.1 secs Computing kpt #: 87 total cpu time spent up to now is 31.4 secs Computing kpt #: 88 total cpu time spent up to now is 31.7 secs Computing kpt #: 89 total cpu time spent up to now is 32.0 secs Computing kpt #: 90 total cpu time spent up to now is 32.4 secs Computing kpt #: 91 total cpu time spent up to now is 32.7 secs Computing kpt #: 92 total cpu time spent up to now is 33.1 secs Computing kpt #: 93 total cpu time spent up to now is 33.4 secs Computing kpt #: 94 total cpu time spent up to now is 33.7 secs Computing kpt #: 95 total cpu time spent up to now is 34.1 secs Computing kpt #: 96 total cpu time spent up to now is 34.4 secs Computing kpt #: 97 total cpu time spent up to now is 34.7 secs Computing kpt #: 98 total cpu time spent up to now is 35.1 secs Computing kpt #: 99 total cpu time spent up to now is 35.4 secs Computing kpt #: 100 total cpu time spent up to now is 35.7 secs Computing kpt #: 101 total cpu time spent up to now is 36.0 secs Computing kpt #: 102 total cpu time spent up to now is 36.3 secs Computing kpt #: 103 total cpu time spent up to now is 36.6 secs Computing kpt #: 104 total cpu time spent up to now is 37.0 secs Computing kpt #: 105 total cpu time spent up to now is 37.3 secs Computing kpt #: 106 total cpu time spent up to now is 37.6 secs Computing kpt #: 107 total cpu time spent up to now is 37.9 secs Computing kpt #: 108 total cpu time spent up to now is 38.2 secs Computing kpt #: 109 total cpu time spent up to now is 38.6 secs Computing kpt #: 110 total cpu time spent up to now is 38.9 secs Computing kpt #: 111 total cpu time spent up to now is 39.2 secs Computing kpt #: 112 total cpu time spent up to now is 39.5 secs Computing kpt #: 113 total cpu time spent up to now is 39.8 secs Computing kpt #: 114 total cpu time spent up to now is 40.1 secs Computing kpt #: 115 total cpu time spent up to now is 40.4 secs Computing kpt #: 116 total cpu time spent up to now is 40.8 secs Computing kpt #: 117 total cpu time spent up to now is 41.1 secs Computing kpt #: 118 total cpu time spent up to now is 41.4 secs Computing kpt #: 119 total cpu time spent up to now is 41.7 secs Computing kpt #: 120 total cpu time spent up to now is 42.0 secs Computing kpt #: 121 total cpu time spent up to now is 42.4 secs Computing kpt #: 122 total cpu time spent up to now is 42.7 secs Computing kpt #: 123 total cpu time spent up to now is 43.0 secs Computing kpt #: 124 total cpu time spent up to now is 43.3 secs Computing kpt #: 125 total cpu time spent up to now is 43.6 secs Computing kpt #: 126 total cpu time spent up to now is 44.0 secs Computing kpt #: 127 total cpu time spent up to now is 44.3 secs Computing kpt #: 128 total cpu time spent up to now is 44.6 secs Computing kpt #: 129 total cpu time spent up to now is 44.9 secs Computing kpt #: 130 total cpu time spent up to now is 45.2 secs Computing kpt #: 131 total cpu time spent up to now is 45.6 secs Computing kpt #: 132 total cpu time spent up to now is 45.9 secs Computing kpt #: 133 total cpu time spent up to now is 46.2 secs Computing kpt #: 134 total cpu time spent up to now is 46.6 secs Computing kpt #: 135 total cpu time spent up to now is 46.9 secs Computing kpt #: 136 total cpu time spent up to now is 47.3 secs Computing kpt #: 137 total cpu time spent up to now is 47.7 secs Computing kpt #: 138 total cpu time spent up to now is 48.0 secs Computing kpt #: 139 total cpu time spent up to now is 48.2 secs Computing kpt #: 140 total cpu time spent up to now is 48.5 secs Computing kpt #: 141 total cpu time spent up to now is 48.8 secs Computing kpt #: 142 total cpu time spent up to now is 49.1 secs Computing kpt #: 143 total cpu time spent up to now is 49.4 secs Computing kpt #: 144 total cpu time spent up to now is 49.7 secs Computing kpt #: 145 total cpu time spent up to now is 50.0 secs Computing kpt #: 146 total cpu time spent up to now is 50.3 secs Computing kpt #: 147 total cpu time spent up to now is 50.7 secs Computing kpt #: 148 total cpu time spent up to now is 51.0 secs Computing kpt #: 149 total cpu time spent up to now is 51.3 secs Computing kpt #: 150 total cpu time spent up to now is 51.5 secs Computing kpt #: 151 total cpu time spent up to now is 51.9 secs Computing kpt #: 152 total cpu time spent up to now is 52.3 secs Computing kpt #: 153 total cpu time spent up to now is 52.6 secs Computing kpt #: 154 total cpu time spent up to now is 52.9 secs Computing kpt #: 155 total cpu time spent up to now is 53.3 secs Computing kpt #: 156 total cpu time spent up to now is 53.6 secs Computing kpt #: 157 total cpu time spent up to now is 54.0 secs Computing kpt #: 158 total cpu time spent up to now is 54.3 secs Computing kpt #: 159 total cpu time spent up to now is 54.6 secs Computing kpt #: 160 total cpu time spent up to now is 55.0 secs Computing kpt #: 161 total cpu time spent up to now is 55.3 secs Computing kpt #: 162 total cpu time spent up to now is 55.7 secs Computing kpt #: 163 total cpu time spent up to now is 56.0 secs Computing kpt #: 164 total cpu time spent up to now is 56.3 secs Computing kpt #: 165 total cpu time spent up to now is 56.7 secs Computing kpt #: 166 total cpu time spent up to now is 57.0 secs Computing kpt #: 167 total cpu time spent up to now is 57.4 secs Computing kpt #: 168 total cpu time spent up to now is 57.7 secs Computing kpt #: 169 total cpu time spent up to now is 58.0 secs Computing kpt #: 170 total cpu time spent up to now is 58.4 secs Computing kpt #: 171 total cpu time spent up to now is 58.8 secs Computing kpt #: 172 total cpu time spent up to now is 59.1 secs Computing kpt #: 173 total cpu time spent up to now is 59.5 secs Computing kpt #: 174 total cpu time spent up to now is 59.8 secs Computing kpt #: 175 total cpu time spent up to now is 60.2 secs Computing kpt #: 176 total cpu time spent up to now is 60.6 secs Computing kpt #: 177 total cpu time spent up to now is 60.9 secs Computing kpt #: 178 total cpu time spent up to now is 61.3 secs Computing kpt #: 179 total cpu time spent up to now is 61.6 secs Computing kpt #: 180 total cpu time spent up to now is 62.0 secs Computing kpt #: 181 total cpu time spent up to now is 62.3 secs Computing kpt #: 182 total cpu time spent up to now is 62.6 secs Computing kpt #: 183 total cpu time spent up to now is 63.0 secs Computing kpt #: 184 total cpu time spent up to now is 63.3 secs Computing kpt #: 185 total cpu time spent up to now is 63.6 secs Computing kpt #: 186 total cpu time spent up to now is 64.0 secs Computing kpt #: 187 total cpu time spent up to now is 64.3 secs Computing kpt #: 188 total cpu time spent up to now is 64.6 secs Computing kpt #: 189 total cpu time spent up to now is 65.0 secs Computing kpt #: 190 total cpu time spent up to now is 65.3 secs Computing kpt #: 191 total cpu time spent up to now is 65.6 secs Computing kpt #: 192 total cpu time spent up to now is 65.9 secs Computing kpt #: 193 total cpu time spent up to now is 66.3 secs Computing kpt #: 194 total cpu time spent up to now is 66.6 secs Computing kpt #: 195 total cpu time spent up to now is 66.9 secs Computing kpt #: 196 total cpu time spent up to now is 67.2 secs Computing kpt #: 197 total cpu time spent up to now is 67.5 secs Computing kpt #: 198 total cpu time spent up to now is 67.8 secs Computing kpt #: 199 total cpu time spent up to now is 68.2 secs Computing kpt #: 200 total cpu time spent up to now is 68.5 secs Computing kpt #: 201 total cpu time spent up to now is 68.8 secs Computing kpt #: 202 total cpu time spent up to now is 69.1 secs Computing kpt #: 203 total cpu time spent up to now is 69.4 secs Computing kpt #: 204 total cpu time spent up to now is 69.7 secs Computing kpt #: 205 total cpu time spent up to now is 70.0 secs Computing kpt #: 206 total cpu time spent up to now is 70.4 secs Computing kpt #: 207 total cpu time spent up to now is 70.7 secs Computing kpt #: 208 total cpu time spent up to now is 71.0 secs Computing kpt #: 209 total cpu time spent up to now is 71.4 secs Computing kpt #: 210 total cpu time spent up to now is 71.7 secs Computing kpt #: 211 total cpu time spent up to now is 72.1 secs Computing kpt #: 212 total cpu time spent up to now is 72.4 secs Computing kpt #: 213 total cpu time spent up to now is 72.7 secs Computing kpt #: 214 total cpu time spent up to now is 73.0 secs Computing kpt #: 215 total cpu time spent up to now is 73.4 secs Computing kpt #: 216 total cpu time spent up to now is 73.7 secs Computing kpt #: 217 total cpu time spent up to now is 74.0 secs Computing kpt #: 218 total cpu time spent up to now is 74.3 secs Computing kpt #: 219 total cpu time spent up to now is 74.6 secs Computing kpt #: 220 total cpu time spent up to now is 74.9 secs Computing kpt #: 221 total cpu time spent up to now is 75.3 secs Computing kpt #: 222 total cpu time spent up to now is 75.7 secs Computing kpt #: 223 total cpu time spent up to now is 76.0 secs Computing kpt #: 224 total cpu time spent up to now is 76.4 secs Computing kpt #: 225 total cpu time spent up to now is 76.7 secs Computing kpt #: 226 total cpu time spent up to now is 77.1 secs Computing kpt #: 227 total cpu time spent up to now is 77.4 secs Computing kpt #: 228 total cpu time spent up to now is 77.8 secs Computing kpt #: 229 total cpu time spent up to now is 78.1 secs Computing kpt #: 230 total cpu time spent up to now is 78.5 secs Computing kpt #: 231 total cpu time spent up to now is 78.8 secs Computing kpt #: 232 total cpu time spent up to now is 79.2 secs Computing kpt #: 233 total cpu time spent up to now is 79.6 secs Computing kpt #: 234 total cpu time spent up to now is 79.9 secs Computing kpt #: 235 total cpu time spent up to now is 80.3 secs Computing kpt #: 236 total cpu time spent up to now is 80.7 secs Computing kpt #: 237 total cpu time spent up to now is 81.0 secs Computing kpt #: 238 total cpu time spent up to now is 81.4 secs Computing kpt #: 239 total cpu time spent up to now is 81.8 secs Computing kpt #: 240 total cpu time spent up to now is 82.1 secs Computing kpt #: 241 total cpu time spent up to now is 82.5 secs Computing kpt #: 242 total cpu time spent up to now is 82.8 secs Computing kpt #: 243 total cpu time spent up to now is 83.2 secs Computing kpt #: 244 total cpu time spent up to now is 83.5 secs Computing kpt #: 245 total cpu time spent up to now is 83.9 secs Computing kpt #: 246 total cpu time spent up to now is 84.2 secs Computing kpt #: 247 total cpu time spent up to now is 84.5 secs Computing kpt #: 248 total cpu time spent up to now is 84.9 secs Computing kpt #: 249 total cpu time spent up to now is 85.2 secs Computing kpt #: 250 total cpu time spent up to now is 85.5 secs Computing kpt #: 251 total cpu time spent up to now is 85.9 secs Computing kpt #: 252 total cpu time spent up to now is 86.2 secs Computing kpt #: 253 total cpu time spent up to now is 86.5 secs Computing kpt #: 254 total cpu time spent up to now is 86.9 secs Computing kpt #: 255 total cpu time spent up to now is 87.2 secs Computing kpt #: 256 total cpu time spent up to now is 87.6 secs Computing kpt #: 257 total cpu time spent up to now is 87.9 secs Computing kpt #: 258 total cpu time spent up to now is 88.2 secs Computing kpt #: 259 total cpu time spent up to now is 88.6 secs Computing kpt #: 260 total cpu time spent up to now is 89.0 secs Computing kpt #: 261 total cpu time spent up to now is 89.3 secs Computing kpt #: 262 total cpu time spent up to now is 89.7 secs Computing kpt #: 263 total cpu time spent up to now is 90.1 secs Computing kpt #: 264 total cpu time spent up to now is 90.4 secs Computing kpt #: 265 total cpu time spent up to now is 90.8 secs Computing kpt #: 266 total cpu time spent up to now is 91.1 secs Computing kpt #: 267 total cpu time spent up to now is 91.4 secs Computing kpt #: 268 total cpu time spent up to now is 91.8 secs Computing kpt #: 269 total cpu time spent up to now is 92.1 secs Computing kpt #: 270 total cpu time spent up to now is 92.4 secs Computing kpt #: 271 total cpu time spent up to now is 92.7 secs Computing kpt #: 272 total cpu time spent up to now is 93.1 secs Computing kpt #: 273 total cpu time spent up to now is 93.4 secs Computing kpt #: 274 total cpu time spent up to now is 93.7 secs Computing kpt #: 275 total cpu time spent up to now is 94.0 secs Computing kpt #: 276 total cpu time spent up to now is 94.4 secs Computing kpt #: 277 total cpu time spent up to now is 94.7 secs Computing kpt #: 278 total cpu time spent up to now is 95.1 secs Computing kpt #: 279 total cpu time spent up to now is 95.4 secs Computing kpt #: 280 total cpu time spent up to now is 95.8 secs Computing kpt #: 281 total cpu time spent up to now is 96.2 secs Computing kpt #: 282 total cpu time spent up to now is 96.6 secs Computing kpt #: 283 total cpu time spent up to now is 97.0 secs Computing kpt #: 284 total cpu time spent up to now is 97.4 secs Computing kpt #: 285 total cpu time spent up to now is 97.8 secs Computing kpt #: 286 total cpu time spent up to now is 98.1 secs Computing kpt #: 287 total cpu time spent up to now is 98.4 secs Computing kpt #: 288 total cpu time spent up to now is 98.8 secs Computing kpt #: 289 total cpu time spent up to now is 99.1 secs Computing kpt #: 290 total cpu time spent up to now is 99.5 secs Computing kpt #: 291 total cpu time spent up to now is 99.8 secs Computing kpt #: 292 total cpu time spent up to now is 100.2 secs Computing kpt #: 293 total cpu time spent up to now is 100.5 secs Computing kpt #: 294 total cpu time spent up to now is 100.8 secs Computing kpt #: 295 total cpu time spent up to now is 101.1 secs Computing kpt #: 296 total cpu time spent up to now is 101.4 secs Computing kpt #: 297 total cpu time spent up to now is 101.8 secs Computing kpt #: 298 total cpu time spent up to now is 102.1 secs Computing kpt #: 299 total cpu time spent up to now is 102.4 secs Computing kpt #: 300 total cpu time spent up to now is 102.7 secs Computing kpt #: 301 total cpu time spent up to now is 103.1 secs Computing kpt #: 302 total cpu time spent up to now is 103.4 secs Computing kpt #: 303 total cpu time spent up to now is 103.7 secs Computing kpt #: 304 total cpu time spent up to now is 104.1 secs Computing kpt #: 305 total cpu time spent up to now is 104.4 secs Computing kpt #: 306 total cpu time spent up to now is 104.8 secs ethr = 2.27E-08, avg # of iterations = 17.9 total cpu time spent up to now is 104.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): -72.9410 -72.9410 -41.3330 -41.3330 -29.1692 -29.1692 -29.1692 -29.1692 -12.6811 -12.6811 -5.5147 -5.5147 -4.8251 -4.8251 -4.8251 -4.8251 0.7637 0.7637 2.6917 2.6917 2.6917 2.6917 8.5468 8.5468 9.4183 9.4183 9.4183 9.4183 10.6923 10.6923 10.6923 10.6923 10.7079 10.7079 11.3026 11.3026 11.3930 11.3930 11.3930 11.3930 11.4996 11.4996 11.4996 11.4996 12.0649 12.0649 15.0179 15.0179 15.0179 15.0179 17.1433 17.1433 k = 0.0000 0.0125-0.0000 ( 2969 PWs) bands (ev): -72.9410 -72.9410 -41.3330 -41.3330 -29.1692 -29.1692 -29.1692 -29.1692 -12.6809 -12.6809 -5.5146 -5.5146 -4.8251 -4.8251 -4.8249 -4.8249 0.7640 0.7640 2.6919 2.6919 2.6921 2.6921 8.5451 8.5451 9.4140 9.4140 9.4179 9.4179 10.6832 10.6832 10.6889 10.6889 10.7035 10.7035 11.2900 11.2900 11.3894 11.3894 11.3971 11.3971 11.5034 11.5034 11.5122 11.5122 12.0721 12.0721 15.0180 15.0180 15.0266 15.0266 17.1462 17.1462 k = 0.0000 0.0250-0.0000 ( 2978 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1693 -29.1693 -29.1692 -29.1692 -12.6804 -12.6804 -5.5143 -5.5143 -4.8249 -4.8249 -4.8240 -4.8240 0.7649 0.7649 2.6926 2.6926 2.6933 2.6933 8.5397 8.5397 9.4010 9.4010 9.4166 9.4166 10.6570 10.6570 10.6745 10.6745 10.6950 10.6950 11.2654 11.2654 11.3799 11.3799 11.3933 11.3933 11.5129 11.5129 11.5522 11.5522 12.0934 12.0934 15.0182 15.0182 15.0523 15.0523 17.1548 17.1548 k = 0.0000 0.0375-0.0000 ( 2990 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1695 -29.1695 -29.1692 -29.1692 -12.6795 -12.6795 -5.5138 -5.5138 -4.8247 -4.8247 -4.8227 -4.8227 0.7664 0.7664 2.6938 2.6938 2.6954 2.6954 8.5304 8.5304 9.3799 9.3799 9.4145 9.4145 10.6165 10.6165 10.6462 10.6462 10.6866 10.6866 11.2402 11.2402 11.3674 11.3674 11.3739 11.3739 11.5251 11.5251 11.6136 11.6136 12.1281 12.1281 15.0185 15.0185 15.0943 15.0943 17.1692 17.1692 k = 0.0000 0.0500-0.0000 ( 3002 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1697 -29.1697 -29.1692 -29.1692 -12.6783 -12.6783 -5.5132 -5.5132 -4.8244 -4.8244 -4.8207 -4.8207 0.7685 0.7685 2.6954 2.6954 2.6984 2.6984 8.5170 8.5170 9.3510 9.3510 9.4115 9.4115 10.5651 10.5651 10.6074 10.6074 10.6768 10.6768 11.2169 11.2169 11.3430 11.3430 11.3535 11.3535 11.5375 11.5375 11.6879 11.6879 12.1748 12.1748 15.0188 15.0188 15.1510 15.1510 17.1891 17.1891 k = 0.0000 0.0625-0.0000 ( 3002 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1699 -29.1699 -29.1692 -29.1692 -12.6767 -12.6767 -5.5125 -5.5125 -4.8240 -4.8240 -4.8180 -4.8180 0.7711 0.7711 2.6975 2.6975 2.7021 2.7021 8.4990 8.4990 9.3154 9.3154 9.4076 9.4076 10.5061 10.5061 10.5608 10.5608 10.6649 10.6649 11.1942 11.1942 11.3047 11.3047 11.3390 11.3390 11.5493 11.5493 11.7703 11.7703 12.2322 12.2322 15.0193 15.0193 15.2207 15.2207 17.2146 17.2146 k = 0.0000 0.0750-0.0000 ( 3006 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1701 -29.1701 -29.1692 -29.1692 -12.6748 -12.6748 -5.5119 -5.5119 -4.8236 -4.8236 -4.8145 -4.8145 0.7744 0.7744 2.7000 2.7000 2.7066 2.7066 8.4755 8.4755 9.2741 9.2741 9.4029 9.4029 10.4422 10.4422 10.5085 10.5085 10.6507 10.6507 11.1697 11.1697 11.2630 11.2630 11.3242 11.3242 11.5598 11.5598 11.8581 11.8581 12.2985 12.2985 15.0200 15.0200 15.3013 15.3013 17.2453 17.2453 k = 0.0000 0.0875-0.0000 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1704 -29.1704 -29.1692 -29.1692 -12.6725 -12.6725 -5.5113 -5.5113 -4.8230 -4.8230 -4.8102 -4.8102 0.7781 0.7781 2.7029 2.7029 2.7118 2.7118 8.4459 8.4459 9.2285 9.2285 9.3973 9.3973 10.3752 10.3752 10.4522 10.4522 10.6344 10.6344 11.1391 11.1391 11.2233 11.2233 11.3089 11.3089 11.5692 11.5692 11.9498 11.9498 12.3721 12.3721 15.0209 15.0209 15.3907 15.3907 17.2812 17.2812 k = 0.0000 0.1000-0.0000 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1708 -29.1708 -29.1692 -29.1692 -12.6700 -12.6700 -5.5111 -5.5111 -4.8224 -4.8224 -4.8049 -4.8049 0.7824 0.7824 2.7063 2.7063 2.7178 2.7178 8.4091 8.4091 9.1803 9.1803 9.3909 9.3909 10.3067 10.3067 10.3932 10.3932 10.6160 10.6160 11.0981 11.0981 11.1906 11.1906 11.2932 11.2932 11.5777 11.5777 12.0443 12.0443 12.4517 12.4517 15.0218 15.0218 15.4872 15.4872 17.3220 17.3220 k = 0.0000 0.1125-0.0000 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1712 -29.1712 -29.1691 -29.1691 -12.6671 -12.6671 -5.5112 -5.5112 -4.8217 -4.8217 -4.7984 -4.7984 0.7871 0.7871 2.7100 2.7100 2.7245 2.7245 8.3641 8.3641 9.1312 9.1312 9.3835 9.3835 10.2375 10.2375 10.3325 10.3325 10.5958 10.5958 11.0475 11.0475 11.1652 11.1652 11.2770 11.2770 11.5854 11.5854 12.1411 12.1411 12.5361 12.5361 15.0229 15.0229 15.5886 15.5886 17.3675 17.3675 k = 0.0000 0.1250-0.0000 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1716 -29.1716 -29.1691 -29.1691 -12.6640 -12.6640 -5.5117 -5.5117 -4.8209 -4.8209 -4.7908 -4.7908 0.7923 0.7923 2.7141 2.7141 2.7319 2.7319 8.3102 8.3102 9.0829 9.0829 9.3753 9.3753 10.1685 10.1685 10.2710 10.2710 10.5738 10.5738 10.9913 10.9913 11.1439 11.1439 11.2602 11.2602 11.5924 11.5924 12.2393 12.2393 12.6242 12.6242 15.0242 15.0242 15.6933 15.6933 17.4173 17.4173 k = 0.0000 0.1375-0.0000 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1720 -29.1720 -29.1691 -29.1691 -12.6606 -12.6606 -5.5128 -5.5128 -4.8200 -4.8200 -4.7820 -4.7820 0.7980 0.7980 2.7186 2.7186 2.7399 2.7399 8.2467 8.2467 9.0370 9.0370 9.3662 9.3662 10.1001 10.1001 10.2095 10.2095 10.5503 10.5503 10.9323 10.9323 11.1243 11.1243 11.2429 11.2429 11.5990 11.5990 12.3387 12.3387 12.7152 12.7152 15.0255 15.0255 15.7994 15.7994 17.4712 17.4712 k = 0.0000 0.1500-0.0000 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1725 -29.1725 -29.1690 -29.1690 -12.6570 -12.6570 -5.5146 -5.5146 -4.8191 -4.8191 -4.7718 -4.7718 0.8039 0.8039 2.7234 2.7234 2.7484 2.7484 8.1737 8.1737 8.9943 8.9943 9.3563 9.3563 10.0328 10.0328 10.1484 10.1484 10.5255 10.5255 10.8724 10.8724 11.1055 11.1055 11.2252 11.2252 11.6053 11.6053 12.4387 12.4387 12.8084 12.8084 15.0271 15.0271 15.9059 15.9059 17.5289 17.5289 k = 0.0000 0.1625-0.0000 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3334 -41.3334 -29.1730 -29.1730 -29.1690 -29.1690 -12.6531 -12.6531 -5.5171 -5.5171 -4.8182 -4.8182 -4.7601 -4.7601 0.8103 0.8103 2.7284 2.7284 2.7575 2.7575 8.0915 8.0915 8.9555 8.9555 9.3454 9.3454 9.9668 9.9668 10.0882 10.0882 10.4995 10.4995 10.8123 10.8123 11.0869 11.0869 11.2070 11.2070 11.6114 11.6114 12.5391 12.5391 12.9031 12.9031 15.0288 15.0288 16.0113 16.0113 17.5901 17.5901 k = 0.0000 0.1750-0.0000 ( 3022 PWs) bands (ev): -72.9410 -72.9410 -41.3334 -41.3334 -29.1735 -29.1735 -29.1690 -29.1690 -12.6491 -12.6491 -5.5203 -5.5203 -4.8172 -4.8172 -4.7471 -4.7471 0.8169 0.8169 2.7338 2.7338 2.7670 2.7670 8.0012 8.0012 8.9206 8.9206 9.3336 9.3336 9.9024 9.9024 10.0294 10.0294 10.4726 10.4726 10.7526 10.7526 11.0683 11.0683 11.1884 11.1884 11.6173 11.6173 12.6395 12.6395 12.9988 12.9988 15.0307 15.0307 16.1147 16.1147 17.6543 17.6543 k = 0.0000 0.1875-0.0000 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3334 -41.3334 -29.1740 -29.1740 -29.1689 -29.1689 -12.6448 -12.6448 -5.5244 -5.5244 -4.8161 -4.8161 -4.7326 -4.7326 0.8238 0.8238 2.7393 2.7393 2.7770 2.7770 7.9040 7.9040 8.8894 8.8894 9.3210 9.3210 9.8398 9.8398 9.9721 9.9721 10.4450 10.4450 10.6938 10.6938 11.0498 11.0498 11.1696 11.1696 11.6231 11.6231 12.7397 12.7397 13.0951 13.0951 15.0328 15.0328 16.2154 16.2154 17.7213 17.7213 k = 0.0000 0.2000-0.0000 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3335 -41.3335 -29.1746 -29.1746 -29.1689 -29.1689 -12.6405 -12.6405 -5.5293 -5.5293 -4.8151 -4.8151 -4.7167 -4.7167 0.8309 0.8309 2.7451 2.7451 2.7873 2.7873 7.8012 7.8012 8.8613 8.8613 9.3075 9.3075 9.7791 9.7791 9.9167 9.9167 10.4167 10.4167 10.6361 10.6361 11.0313 11.0313 11.1507 11.1507 11.6287 11.6287 12.8393 12.8393 13.1915 13.1915 15.0350 15.0350 16.3125 16.3125 17.7906 17.7906 k = 0.0000 0.2125-0.0000 ( 3022 PWs) bands (ev): -72.9410 -72.9410 -41.3335 -41.3335 -29.1752 -29.1752 -29.1689 -29.1689 -12.6360 -12.6360 -5.5349 -5.5349 -4.8140 -4.8140 -4.6995 -4.6995 0.8381 0.8381 2.7510 2.7510 2.7980 2.7980 7.6942 7.6942 8.8359 8.8359 9.2932 9.2932 9.7204 9.7204 9.8633 9.8633 10.3882 10.3882 10.5796 10.5796 11.0128 11.0128 11.1317 11.1317 11.6343 11.6343 12.9380 12.9380 13.2875 13.2875 15.0375 15.0375 16.4057 16.4057 17.8619 17.8619 k = 0.0000 0.2250-0.0000 ( 3022 PWs) bands (ev): -72.9410 -72.9410 -41.3336 -41.3336 -29.1758 -29.1758 -29.1688 -29.1688 -12.6314 -12.6314 -5.5414 -5.5414 -4.8128 -4.8128 -4.6810 -4.6810 0.8455 0.8455 2.7571 2.7571 2.8088 2.8088 7.5843 7.5843 8.8127 8.8127 9.2780 9.2780 9.6640 9.6640 9.8122 9.8122 10.3595 10.3595 10.5244 10.5244 10.9944 10.9944 11.1128 11.1128 11.6398 11.6398 13.0356 13.0356 13.3827 13.3827 15.0402 15.0402 16.4947 16.4947 17.9348 17.9348 k = 0.0000 0.2375-0.0000 ( 3022 PWs) bands (ev): -72.9410 -72.9410 -41.3336 -41.3336 -29.1764 -29.1764 -29.1688 -29.1688 -12.6267 -12.6267 -5.5484 -5.5484 -4.8117 -4.8117 -4.6614 -4.6614 0.8529 0.8529 2.7633 2.7633 2.8198 2.8198 7.4728 7.4728 8.7914 8.7914 9.2621 9.2621 9.6098 9.6098 9.7635 9.7635 10.3308 10.3308 10.4708 10.4708 10.9762 10.9762 11.0941 11.0941 11.6452 11.6452 13.1319 13.1319 13.4768 13.4768 15.0433 15.0433 16.5790 16.5790 18.0089 18.0089 k = 0.0000 0.2500-0.0000 ( 3042 PWs) bands (ev): -72.9410 -72.9410 -41.3337 -41.3337 -29.1770 -29.1770 -29.1688 -29.1688 -12.6220 -12.6220 -5.5562 -5.5562 -4.8105 -4.8105 -4.6409 -4.6409 0.8604 0.8604 2.7695 2.7695 2.8310 2.8310 7.3606 7.3606 8.7715 8.7715 9.2454 9.2454 9.5580 9.5580 9.7173 9.7173 10.3023 10.3023 10.4188 10.4188 10.9582 10.9582 11.0757 11.0757 11.6505 11.6505 13.2264 13.2264 13.5694 13.5694 15.0465 15.0465 16.6587 16.6587 18.0837 18.0837 k = 0.0000 0.2625-0.0000 ( 3034 PWs) bands (ev): -72.9410 -72.9410 -41.3337 -41.3337 -29.1776 -29.1776 -29.1687 -29.1687 -12.6173 -12.6173 -5.5644 -5.5644 -4.8094 -4.8094 -4.6194 -4.6194 0.8679 0.8679 2.7758 2.7758 2.8422 2.8422 7.2489 7.2489 8.7529 8.7529 9.2281 9.2281 9.5086 9.5086 9.6737 9.6737 10.2741 10.2741 10.3685 10.3685 10.9407 10.9407 11.0577 11.0577 11.6558 11.6558 13.3190 13.3190 13.6601 13.6601 15.0501 15.0501 16.7337 16.7337 18.1589 18.1589 k = 0.0000 0.2750-0.0000 ( 3034 PWs) bands (ev): -72.9410 -72.9410 -41.3338 -41.3338 -29.1782 -29.1782 -29.1687 -29.1687 -12.6126 -12.6126 -5.5730 -5.5730 -4.8082 -4.8082 -4.5974 -4.5974 0.8752 0.8752 2.7820 2.7820 2.8533 2.8533 7.1385 7.1385 8.7353 8.7353 9.2102 9.2102 9.4618 9.4618 9.6327 9.6327 10.2465 10.2465 10.3201 10.3201 10.9235 10.9235 11.0402 11.0402 11.6610 11.6610 13.4094 13.4094 13.7485 13.7485 15.0541 15.0541 16.8041 16.8041 18.2339 18.2339 k = 0.0000 0.2875-0.0000 ( 3034 PWs) bands (ev): -72.9410 -72.9410 -41.3338 -41.3338 -29.1788 -29.1788 -29.1686 -29.1686 -12.6079 -12.6079 -5.5820 -5.5820 -4.8071 -4.8071 -4.5749 -4.5749 0.8825 0.8825 2.7882 2.7882 2.8644 2.8644 7.0302 7.0302 8.7185 8.7185 9.1919 9.1919 9.4176 9.4176 9.5944 9.5944 10.2195 10.2195 10.2735 10.2735 10.9069 10.9069 11.0232 11.0232 11.6661 11.6661 13.4971 13.4971 13.8342 13.8342 15.0585 15.0585 16.8699 16.8699 18.3085 18.3085 k = 0.0000 0.3000-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3339 -41.3339 -29.1793 -29.1793 -29.1686 -29.1686 -12.6034 -12.6034 -5.5911 -5.5911 -4.8060 -4.8060 -4.5521 -4.5521 0.8897 0.8897 2.7943 2.7943 2.8752 2.8752 6.9246 6.9246 8.7026 8.7026 9.1733 9.1733 9.3759 9.3759 9.5589 9.5589 10.1934 10.1934 10.2288 10.2288 10.8908 10.8908 11.0069 11.0069 11.6710 11.6710 13.5821 13.5821 13.9168 13.9168 15.0633 15.0633 16.9312 16.9312 18.3821 18.3821 k = 0.0000 0.3125-0.0000 ( 3034 PWs) bands (ev): -72.9410 -72.9410 -41.3339 -41.3339 -29.1799 -29.1799 -29.1686 -29.1686 -12.5989 -12.5989 -5.6004 -5.6004 -4.8049 -4.8049 -4.5293 -4.5293 0.8966 0.8966 2.8002 2.8002 2.8859 2.8859 6.8224 6.8224 8.6873 8.6873 9.1545 9.1545 9.3369 9.3369 9.5260 9.5260 10.1681 10.1681 10.1863 10.1863 10.8754 10.8754 10.9913 10.9913 11.6758 11.6758 13.6639 13.6639 13.9960 13.9960 15.0686 15.0686 16.9879 16.9879 18.4543 18.4543 k = 0.0000 0.3250-0.0000 ( 3038 PWs) bands (ev): -72.9410 -72.9410 -41.3340 -41.3340 -29.1805 -29.1805 -29.1685 -29.1685 -12.5945 -12.5945 -5.6096 -5.6096 -4.8039 -4.8039 -4.5066 -4.5066 0.9033 0.9033 2.8060 2.8060 2.8962 2.8962 6.7243 6.7243 8.6728 8.6728 9.1358 9.1358 9.3005 9.3005 9.4956 9.4956 10.1439 10.1439 10.1459 10.1459 10.8607 10.8607 10.9765 10.9765 11.6804 11.6804 13.7422 13.7422 14.0713 14.0713 15.0743 15.0743 17.0404 17.0404 18.5246 18.5246 k = 0.0000 0.3375-0.0000 ( 3038 PWs) bands (ev): -72.9410 -72.9410 -41.3340 -41.3340 -29.1810 -29.1810 -29.1685 -29.1685 -12.5904 -12.5904 -5.6187 -5.6187 -4.8029 -4.8029 -4.4843 -4.4843 0.9097 0.9097 2.8116 2.8116 2.9061 2.9061 6.6307 6.6307 8.6590 8.6590 9.1174 9.1174 9.2667 9.2667 9.4678 9.4678 10.1078 10.1078 10.1209 10.1209 10.8468 10.8468 10.9625 10.9625 11.6848 11.6848 13.8168 13.8168 14.1424 14.1424 15.0806 15.0806 17.0889 17.0889 18.5926 18.5926 k = 0.0000 0.3500-0.0000 ( 3038 PWs) bands (ev): -72.9410 -72.9410 -41.3340 -41.3340 -29.1815 -29.1815 -29.1684 -29.1684 -12.5864 -12.5864 -5.6276 -5.6276 -4.8019 -4.8019 -4.4626 -4.4626 0.9158 0.9158 2.8169 2.8169 2.9157 2.9157 6.5420 6.5420 8.6458 8.6458 9.0994 9.0994 9.2356 9.2356 9.4424 9.4424 10.0720 10.0720 10.0993 10.0993 10.8337 10.8337 10.9495 10.9495 11.6889 11.6889 13.8873 13.8873 14.2090 14.2090 15.0875 15.0875 17.1333 17.1333 18.6578 18.6578 k = 0.0000 0.3625-0.0000 ( 3030 PWs) bands (ev): -72.9410 -72.9410 -41.3341 -41.3341 -29.1819 -29.1819 -29.1684 -29.1684 -12.5826 -12.5826 -5.6361 -5.6361 -4.8010 -4.8010 -4.4417 -4.4417 0.9216 0.9216 2.8220 2.8220 2.9247 2.9247 6.4589 6.4589 8.6334 8.6334 9.0820 9.0820 9.2072 9.2072 9.4194 9.4194 10.0388 10.0388 10.0789 10.0789 10.8216 10.8216 10.9374 10.9374 11.6929 11.6929 13.9536 13.9536 14.2707 14.2707 15.0949 15.0949 17.1738 17.1738 18.7199 18.7199 k = 0.0000 0.3750-0.0000 ( 3022 PWs) bands (ev): -72.9410 -72.9410 -41.3341 -41.3341 -29.1824 -29.1824 -29.1683 -29.1683 -12.5791 -12.5791 -5.6442 -5.6442 -4.8001 -4.8001 -4.4218 -4.4218 0.9270 0.9270 2.8267 2.8267 2.9331 2.9331 6.3816 6.3816 8.6218 8.6218 9.0655 9.0655 9.1814 9.1814 9.3986 9.3986 10.0080 10.0080 10.0601 10.0601 10.8103 10.8103 10.9262 10.9262 11.6966 11.6966 14.0152 14.0152 14.3271 14.3271 15.1028 15.1028 17.2105 17.2105 18.7782 18.7782 k = 0.0000 0.3875-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3341 -41.3341 -29.1828 -29.1828 -29.1683 -29.1683 -12.5758 -12.5758 -5.6519 -5.6519 -4.7994 -4.7994 -4.4032 -4.4032 0.9320 0.9320 2.8311 2.8311 2.9410 2.9410 6.3105 6.3105 8.6110 8.6110 9.0500 9.0500 9.1582 9.1582 9.3800 9.3800 9.9799 9.9799 10.0428 10.0428 10.8000 10.8000 10.9160 10.9160 11.6999 11.6999 14.0719 14.0719 14.3781 14.3781 15.1111 15.1111 17.2434 17.2434 18.8325 18.8325 k = 0.0000 0.4000-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3341 -41.3341 -29.1831 -29.1831 -29.1683 -29.1683 -12.5728 -12.5728 -5.6589 -5.6589 -4.7987 -4.7987 -4.3859 -4.3859 0.9365 0.9365 2.8351 2.8351 2.9481 2.9481 6.2461 6.2461 8.6011 8.6011 9.0357 9.0357 9.1374 9.1374 9.3635 9.3635 9.9546 9.9546 10.0271 10.0271 10.7907 10.7907 10.9069 10.9069 11.7030 11.7030 14.1235 14.1235 14.4236 14.4236 15.1196 15.1196 17.2727 17.2727 18.8824 18.8824 k = 0.0000 0.4125-0.0000 ( 3018 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1834 -29.1834 -29.1683 -29.1683 -12.5701 -12.5701 -5.6653 -5.6653 -4.7980 -4.7980 -4.3702 -4.3702 0.9405 0.9405 2.8387 2.8387 2.9546 2.9546 6.1885 6.1885 8.5922 8.5922 9.0228 9.0228 9.1193 9.1193 9.3491 9.3491 9.9320 9.9320 10.0131 10.0131 10.7825 10.7825 10.8988 10.8988 11.7058 11.7058 14.1696 14.1696 14.4634 14.4634 15.1282 15.1282 17.2985 17.2985 18.9274 18.9274 k = 0.0000 0.4250-0.0000 ( 3018 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1837 -29.1837 -29.1682 -29.1682 -12.5677 -12.5677 -5.6709 -5.6709 -4.7974 -4.7974 -4.3562 -4.3562 0.9441 0.9441 2.8419 2.8419 2.9602 2.9602 6.1380 6.1380 8.5844 8.5844 9.0113 9.0113 9.1037 9.1037 9.3367 9.3367 9.9123 9.9123 10.0009 10.0009 10.7753 10.7753 10.8917 10.8917 11.7082 11.7082 14.2101 14.2101 14.4975 14.4975 15.1367 15.1367 17.3207 17.3207 18.9671 18.9671 k = 0.0000 0.4375-0.0000 ( 3018 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1840 -29.1840 -29.1682 -29.1682 -12.5657 -12.5657 -5.6758 -5.6758 -4.7970 -4.7970 -4.3442 -4.3442 0.9471 0.9471 2.8446 2.8446 2.9651 2.9651 6.0948 6.0948 8.5776 8.5776 9.0015 9.0015 9.0906 9.0906 9.3263 9.3263 9.8954 9.8954 9.9905 9.9905 10.7691 10.7691 10.8857 10.8857 11.7102 11.7102 14.2447 14.2447 14.5260 14.5260 15.1446 15.1446 17.3393 17.3393 19.0013 19.0013 k = 0.0000 0.4500-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1842 -29.1842 -29.1682 -29.1682 -12.5640 -12.5640 -5.6799 -5.6799 -4.7966 -4.7966 -4.3341 -4.3341 0.9497 0.9497 2.8469 2.8469 2.9691 2.9691 6.0593 6.0593 8.5720 8.5720 8.9933 8.9933 9.0798 9.0798 9.3177 9.3177 9.8816 9.8816 9.9820 9.9820 10.7640 10.7640 10.8808 10.8808 11.7119 11.7119 14.2732 14.2732 14.5490 14.5490 15.1516 15.1516 17.3545 17.3545 19.0298 19.0298 k = 0.0000 0.4625-0.0000 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1843 -29.1843 -29.1682 -29.1682 -12.5627 -12.5627 -5.6831 -5.6831 -4.7962 -4.7962 -4.3262 -4.3262 0.9516 0.9516 2.8487 2.8487 2.9723 2.9723 6.0315 6.0315 8.5676 8.5676 8.9869 8.9869 9.0715 9.0715 9.3111 9.3111 9.8708 9.8708 9.9753 9.9753 10.7601 10.7601 10.8770 10.8770 11.7133 11.7133 14.2957 14.2957 14.5667 14.5667 15.1576 15.1576 17.3664 17.3664 19.0521 19.0521 k = 0.0000 0.4750-0.0000 ( 3022 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1844 -29.1844 -29.1682 -29.1682 -12.5618 -12.5618 -5.6854 -5.6854 -4.7960 -4.7960 -4.3205 -4.3205 0.9530 0.9530 2.8499 2.8499 2.9746 2.9746 6.0116 6.0116 8.5644 8.5644 8.9822 8.9822 9.0656 9.0656 9.3064 9.3064 9.8630 9.8630 9.9705 9.9705 10.7572 10.7572 10.8742 10.8742 11.7142 11.7142 14.3117 14.3117 14.5791 14.5791 15.1620 15.1620 17.3749 17.3749 19.0682 19.0682 k = 0.0000 0.4875-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1845 -29.1845 -29.1682 -29.1682 -12.5612 -12.5612 -5.6868 -5.6868 -4.7959 -4.7959 -4.3170 -4.3170 0.9539 0.9539 2.8507 2.8507 2.9759 2.9759 5.9995 5.9995 8.5624 8.5624 8.9794 8.9794 9.0621 9.0621 9.3036 9.3036 9.8583 9.8583 9.9676 9.9676 10.7555 10.7555 10.8725 10.8725 11.7148 11.7148 14.3214 14.3214 14.5865 14.5865 15.1648 15.1648 17.3799 17.3799 19.0780 19.0780 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1682 -29.1682 -12.5610 -12.5610 -5.6873 -5.6873 -4.7958 -4.7958 -4.3158 -4.3158 0.9542 0.9542 2.8510 2.8510 2.9764 2.9764 5.9955 5.9955 8.5618 8.5618 8.9785 8.9785 9.0609 9.0609 9.3026 9.3026 9.8567 9.8567 9.9667 9.9667 10.7550 10.7550 10.8720 10.8720 11.7150 11.7150 14.3246 14.3246 14.5890 14.5890 15.1657 15.1657 17.3815 17.3815 19.0812 19.0812 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1682 -29.1682 -12.5610 -12.5610 -5.6873 -5.6873 -4.7958 -4.7958 -4.3158 -4.3158 0.9542 0.9542 2.8510 2.8510 2.9764 2.9764 5.9955 5.9955 8.5618 8.5618 8.9785 8.9785 9.0609 9.0609 9.3026 9.3026 9.8567 9.8567 9.9667 9.9667 10.7550 10.7550 10.8720 10.8720 11.7150 11.7150 14.3246 14.3246 14.5890 14.5890 15.1657 15.1657 17.3815 17.3815 19.0812 19.0812 k = 0.0125 0.5000-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1682 -29.1682 -12.5609 -12.5609 -5.6864 -5.6864 -4.7955 -4.7955 -4.3161 -4.3161 0.9540 0.9540 2.8509 2.8509 2.9759 2.9759 5.9953 5.9953 8.5597 8.5597 8.9765 8.9765 9.0552 9.0552 9.2945 9.2945 9.8669 9.8669 9.9712 9.9712 10.7498 10.7498 10.8640 10.8640 11.7256 11.7256 14.3247 14.3247 14.5907 14.5907 15.1703 15.1703 17.3857 17.3857 19.0829 19.0829 k = 0.0250 0.5000-0.0000 ( 3018 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1683 -29.1683 -12.5605 -12.5605 -5.6839 -5.6839 -4.7947 -4.7947 -4.3171 -4.3171 0.9536 0.9536 2.8508 2.8508 2.9743 2.9743 5.9947 5.9947 8.5532 8.5532 8.9703 8.9703 9.0378 9.0378 9.2734 9.2734 9.8923 9.8923 9.9871 9.9871 10.7346 10.7346 10.8416 10.8416 11.7562 11.7562 14.3249 14.3249 14.5958 14.5958 15.1840 15.1840 17.3981 17.3981 19.0879 19.0879 k = 0.0375 0.5000-0.0000 ( 3012 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1683 -29.1683 -12.5600 -12.5600 -5.6797 -5.6797 -4.7933 -4.7933 -4.3186 -4.3186 0.9529 0.9529 2.8505 2.8505 2.9716 2.9716 5.9936 5.9936 8.5420 8.5420 8.9596 8.9596 9.0083 9.0083 9.2464 9.2464 9.9209 9.9209 10.0202 10.0202 10.7094 10.7094 10.8085 10.8085 11.8037 11.8037 14.3252 14.3252 14.6035 14.6035 15.2066 15.2066 17.4189 17.4189 19.0963 19.0963 k = 0.0500 0.5000-0.0000 ( 3000 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1684 -29.1684 -12.5592 -12.5592 -5.6739 -5.6739 -4.7914 -4.7914 -4.3207 -4.3207 0.9518 0.9518 2.8501 2.8501 2.9680 2.9680 5.9922 5.9922 8.5256 8.5256 8.9414 8.9414 8.9700 8.9700 9.2191 9.2191 9.9446 9.9446 10.0728 10.0728 10.6747 10.6747 10.7693 10.7693 11.8644 11.8644 14.3256 14.3256 14.6131 14.6131 15.2376 15.2376 17.4485 17.4485 19.1080 19.1080 k = 0.0625 0.5000-0.0000 ( 3004 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1686 -29.1686 -12.5581 -12.5581 -5.6665 -5.6665 -4.7889 -4.7889 -4.3233 -4.3233 0.9505 0.9505 2.8495 2.8495 2.9635 2.9635 5.9903 5.9903 8.5030 8.5030 8.9009 8.9009 8.9400 8.9400 9.1939 9.1939 9.9650 9.9650 10.1386 10.1386 10.6313 10.6313 10.7283 10.7283 11.9348 11.9348 14.3261 14.3261 14.6239 14.6239 15.2761 15.2761 17.4870 17.4870 19.1229 19.1229 k = 0.0750 0.5000-0.0000 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1847 -29.1847 -29.1688 -29.1688 -12.5569 -12.5569 -5.6576 -5.6576 -4.7859 -4.7859 -4.3266 -4.3266 0.9489 0.9489 2.8488 2.8488 2.9583 2.9583 5.9880 5.9880 8.4734 8.4734 8.8416 8.8416 8.9183 8.9183 9.1706 9.1706 9.9851 9.9851 10.2112 10.2112 10.5814 10.5814 10.6882 10.6882 12.0127 12.0127 14.3266 14.3266 14.6350 14.6350 15.3210 15.3210 17.5348 17.5348 19.1409 19.1409 k = 0.0875 0.5000-0.0000 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1848 -29.1848 -29.1690 -29.1690 -12.5555 -12.5555 -5.6471 -5.6471 -4.7823 -4.7823 -4.3304 -4.3304 0.9471 0.9471 2.8477 2.8477 2.9523 2.9523 5.9854 5.9854 8.4358 8.4358 8.7753 8.7753 8.8966 8.8966 9.1484 9.1484 10.0066 10.0066 10.2859 10.2859 10.5285 10.5285 10.6505 10.6505 12.0960 12.0960 14.3272 14.3272 14.6462 14.6462 15.3709 15.3709 17.5922 17.5922 19.1618 19.1618 k = 0.1000 0.5000-0.0000 ( 3004 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1848 -29.1848 -29.1692 -29.1692 -12.5538 -12.5538 -5.6352 -5.6352 -4.7782 -4.7782 -4.3346 -4.3346 0.9449 0.9449 2.8462 2.8462 2.9460 2.9460 5.9825 5.9825 8.3893 8.3893 8.7053 8.7053 8.8742 8.8742 9.1262 9.1262 10.0300 10.0300 10.3540 10.3540 10.4815 10.4815 10.6160 10.6160 12.1835 12.1835 14.3280 14.3280 14.6572 14.6572 15.4240 15.4240 17.6596 17.6596 19.1857 19.1857 k = 0.1125 0.5000-0.0000 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3344 -41.3344 -29.1849 -29.1849 -29.1695 -29.1695 -12.5520 -12.5520 -5.6220 -5.6220 -4.7737 -4.7737 -4.3394 -4.3394 0.9426 0.9426 2.8443 2.8443 2.9393 2.9393 5.9793 5.9793 8.3337 8.3337 8.6330 8.6330 8.8517 8.8517 9.1036 9.1036 10.0552 10.0552 10.3714 10.3714 10.4849 10.4849 10.5855 10.5855 12.2739 12.2739 14.3290 14.3290 14.6679 14.6679 15.4786 15.4786 17.7369 17.7369 19.2123 19.2123 k = 0.1250 0.5000-0.0000 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3344 -41.3344 -29.1850 -29.1850 -29.1697 -29.1697 -12.5500 -12.5500 -5.6074 -5.6074 -4.7686 -4.7686 -4.3446 -4.3446 0.9400 0.9400 2.8416 2.8416 2.9328 2.9328 5.9758 5.9758 8.2690 8.2690 8.5589 8.5589 8.8295 8.8295 9.0801 9.0801 10.0821 10.0821 10.3277 10.3277 10.5493 10.5493 10.5603 10.5603 12.3667 12.3667 14.3303 14.3303 14.6785 14.6785 15.5333 15.5333 17.8242 17.8242 19.2414 19.2414 k = 0.1375 0.5000-0.0000 ( 3018 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1851 -29.1851 -29.1700 -29.1700 -12.5478 -12.5478 -5.5916 -5.5916 -4.7630 -4.7630 -4.3502 -4.3502 0.9371 0.9371 2.8379 2.8379 2.9266 2.9266 5.9721 5.9721 8.1960 8.1960 8.4831 8.4831 8.8081 8.8081 9.0557 9.0557 10.1102 10.1102 10.2739 10.2739 10.5390 10.5390 10.6259 10.6259 12.4610 12.4610 14.3320 14.3320 14.6891 14.6891 15.5867 15.5867 17.9210 17.9210 19.2729 19.2729 k = 0.1500 0.5000-0.0000 ( 3020 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1853 -29.1853 -29.1703 -29.1703 -12.5455 -12.5455 -5.5747 -5.5747 -4.7570 -4.7570 -4.3562 -4.3562 0.9341 0.9341 2.8332 2.8332 2.9210 2.9210 5.9682 5.9682 8.1154 8.1154 8.4059 8.4059 8.7875 8.7875 9.0303 9.0303 10.1367 10.1367 10.2224 10.2224 10.5241 10.5241 10.7031 10.7031 12.5565 12.5565 14.3340 14.3340 14.7000 14.7000 15.6376 15.6376 18.0271 18.0271 19.3067 19.3067 k = 0.1625 0.5000-0.0000 ( 3020 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1854 -29.1854 -29.1706 -29.1706 -12.5430 -12.5430 -5.5568 -5.5568 -4.7505 -4.7505 -4.3625 -4.3625 0.9309 0.9309 2.8271 2.8271 2.9165 2.9165 5.9642 5.9642 8.0279 8.0279 8.3279 8.3279 8.7676 8.7676 9.0039 9.0039 10.1393 10.1393 10.1974 10.1974 10.5146 10.5146 10.7795 10.7795 12.6527 12.6527 14.3365 14.3365 14.7115 14.7115 15.6855 15.6855 18.1415 18.1415 19.3425 19.3425 k = 0.1750 0.5000-0.0000 ( 3016 PWs) bands (ev): -72.9410 -72.9410 -41.3346 -41.3346 -29.1856 -29.1856 -29.1710 -29.1710 -12.5404 -12.5404 -5.5380 -5.5380 -4.7436 -4.7436 -4.3691 -4.3691 0.9275 0.9275 2.8197 2.8197 2.9130 2.9130 5.9600 5.9600 7.9344 7.9344 8.2497 8.2497 8.7484 8.7484 8.9768 8.9768 10.0977 10.0977 10.2198 10.2198 10.5105 10.5105 10.8542 10.8542 12.7491 12.7491 14.3395 14.3395 14.7237 14.7237 15.7298 15.7298 18.2635 18.2635 19.3802 19.3802 k = 0.1875 0.5000-0.0000 ( 3016 PWs) bands (ev): -72.9410 -72.9410 -41.3346 -41.3346 -29.1858 -29.1858 -29.1713 -29.1713 -12.5377 -12.5377 -5.5185 -5.5185 -4.7363 -4.7363 -4.3759 -4.3759 0.9240 0.9240 2.8109 2.8109 2.9107 2.9107 5.9556 5.9556 7.8357 7.8357 8.1721 8.1721 8.7296 8.7296 8.9489 8.9489 10.0489 10.0489 10.2527 10.2527 10.5115 10.5115 10.9268 10.9268 12.8453 12.8453 14.3430 14.3430 14.7369 14.7369 15.7704 15.7704 18.3918 18.3918 19.4195 19.4195 k = 0.2000 0.5000-0.0000 ( 3014 PWs) bands (ev): -72.9409 -72.9409 -41.3346 -41.3346 -29.1859 -29.1859 -29.1716 -29.1716 -12.5350 -12.5350 -5.4982 -5.4982 -4.7286 -4.7286 -4.3829 -4.3829 0.9204 0.9204 2.8011 2.8011 2.9095 2.9095 5.9512 5.9512 7.7325 7.7325 8.0958 8.0958 8.7110 8.7110 8.9205 8.9205 10.0009 10.0009 10.2880 10.2880 10.5172 10.5172 10.9968 10.9968 12.9410 12.9410 14.3469 14.3469 14.7513 14.7513 15.8071 15.8071 18.5254 18.5254 19.4602 19.4602 k = 0.2125 0.5000-0.0000 ( 3022 PWs) bands (ev): -72.9409 -72.9409 -41.3347 -41.3347 -29.1862 -29.1862 -29.1719 -29.1719 -12.5321 -12.5321 -5.4775 -5.4775 -4.7206 -4.7206 -4.3900 -4.3900 0.9167 0.9167 2.7902 2.7902 2.9092 2.9092 5.9467 5.9467 7.6258 7.6258 8.0213 8.0213 8.6924 8.6924 8.8917 8.8917 9.9550 9.9550 10.3244 10.3244 10.5270 10.5270 11.0640 11.0640 13.0358 13.0358 14.3514 14.3514 14.7671 14.7671 15.8401 15.8401 18.6629 18.6629 19.5023 19.5023 k = 0.2250 0.5000-0.0000 ( 3018 PWs) bands (ev): -72.9409 -72.9409 -41.3347 -41.3347 -29.1864 -29.1864 -29.1722 -29.1722 -12.5292 -12.5292 -5.4564 -5.4564 -4.7123 -4.7123 -4.3971 -4.3971 0.9129 0.9129 2.7788 2.7788 2.9098 2.9098 5.9421 5.9421 7.5166 7.5166 7.9490 7.9490 8.6738 8.6738 8.8628 8.8628 9.9114 9.9114 10.3613 10.3613 10.5406 10.5406 11.1282 11.1282 13.1296 13.1296 14.3563 14.3563 14.7844 14.7844 15.8698 15.8698 18.8031 18.8031 19.5453 19.5453 k = 0.2375 0.5000-0.0000 ( 3016 PWs) bands (ev): -72.9409 -72.9409 -41.3348 -41.3348 -29.1866 -29.1866 -29.1725 -29.1725 -12.5262 -12.5262 -5.4351 -5.4351 -4.7038 -4.7038 -4.4042 -4.4042 0.9090 0.9090 2.7668 2.7668 2.9111 2.9111 5.9374 5.9374 7.4058 7.4058 7.8791 7.8791 8.6549 8.6549 8.8338 8.8338 9.8705 9.8705 10.3984 10.3984 10.5574 10.5574 11.1891 11.1891 13.2218 13.2218 14.3617 14.3617 14.8034 14.8034 15.8962 15.8962 18.9446 18.9446 19.5892 19.5892 k = 0.2500 0.5000-0.0000 ( 3016 PWs) bands (ev): -72.9409 -72.9409 -41.3348 -41.3348 -29.1869 -29.1869 -29.1728 -29.1728 -12.5232 -12.5232 -5.4136 -5.4136 -4.6951 -4.6951 -4.4112 -4.4112 0.9052 0.9052 2.7546 2.7546 2.9129 2.9129 5.9326 5.9326 7.2945 7.2945 7.8119 7.8119 8.6359 8.6359 8.8050 8.8050 9.8321 9.8321 10.4353 10.4353 10.5771 10.5771 11.2466 11.2466 13.3121 13.3121 14.3674 14.3674 14.8241 14.8241 15.9197 15.9197 19.0861 19.0861 19.6338 19.6338 k = 0.2625 0.5000-0.0000 ( 3020 PWs) bands (ev): -72.9409 -72.9409 -41.3349 -41.3349 -29.1872 -29.1872 -29.1731 -29.1731 -12.5202 -12.5202 -5.3923 -5.3923 -4.6864 -4.6864 -4.4181 -4.4181 0.9014 0.9014 2.7422 2.7422 2.9152 2.9152 5.9277 5.9277 7.1836 7.1836 7.7475 7.7475 8.6165 8.6165 8.7766 8.7766 9.7964 9.7964 10.4716 10.4716 10.5991 10.5991 11.3007 11.3007 13.4002 13.4002 14.3736 14.3736 14.8465 14.8465 15.9405 15.9405 19.2261 19.2261 19.6790 19.6790 k = 0.2750 0.5000-0.0000 ( 3022 PWs) bands (ev): -72.9409 -72.9409 -41.3349 -41.3349 -29.1875 -29.1875 -29.1733 -29.1733 -12.5172 -12.5172 -5.3711 -5.3711 -4.6775 -4.6775 -4.4246 -4.4246 0.8976 0.8976 2.7300 2.7300 2.9179 2.9179 5.9226 5.9226 7.0741 7.0741 7.6859 7.6859 8.5970 8.5970 8.7487 8.7487 9.7634 9.7634 10.5071 10.5071 10.6232 10.6232 11.3512 11.3512 13.4856 13.4856 14.3801 14.3801 14.8706 14.8706 15.9590 15.9590 19.3632 19.3632 19.7247 19.7247 k = 0.2875 0.5000-0.0000 ( 3026 PWs) bands (ev): -72.9409 -72.9409 -41.3350 -41.3350 -29.1878 -29.1878 -29.1735 -29.1735 -12.5143 -12.5143 -5.3502 -5.3502 -4.6688 -4.6688 -4.4308 -4.4308 0.8938 0.8938 2.7179 2.7179 2.9209 2.9209 5.9174 5.9174 6.9667 6.9667 7.6272 7.6272 8.5773 8.5773 8.7215 8.7215 9.7328 9.7328 10.5415 10.5415 10.6488 10.6488 11.3982 11.3982 13.5682 13.5682 14.3871 14.3871 14.8963 14.8963 15.9754 15.9754 19.4955 19.4955 19.7709 19.7709 k = 0.3000 0.5000-0.0000 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3350 -41.3350 -29.1881 -29.1881 -29.1738 -29.1738 -12.5114 -12.5114 -5.3299 -5.3299 -4.6602 -4.6602 -4.4366 -4.4366 0.8902 0.8902 2.7060 2.7060 2.9241 2.9241 5.9120 5.9120 6.8622 6.8622 7.5715 7.5715 8.5576 8.5576 8.6952 8.6952 9.7048 9.7048 10.5746 10.5746 10.6757 10.6757 11.4415 11.4415 13.6473 13.6473 14.3944 14.3944 14.9234 14.9234 15.9898 15.9898 19.6205 19.6205 19.8184 19.8184 k = 0.3125 0.5000-0.0000 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1884 -29.1884 -29.1740 -29.1740 -12.5085 -12.5085 -5.3101 -5.3101 -4.6519 -4.6519 -4.4418 -4.4418 0.8866 0.8866 2.6946 2.6946 2.9275 2.9275 5.9062 5.9062 6.7616 6.7616 7.5188 7.5188 8.5379 8.5379 8.6699 8.6699 9.6792 9.6792 10.6062 10.6062 10.7033 10.7033 11.4813 11.4813 13.7227 13.7227 14.4022 14.4022 14.9517 14.9517 16.0027 16.0027 19.7332 19.7332 19.8686 19.8686 k = 0.3250 0.5000-0.0000 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1887 -29.1887 -29.1742 -29.1742 -12.5058 -12.5058 -5.2911 -5.2911 -4.6440 -4.6440 -4.4464 -4.4464 0.8832 0.8832 2.6836 2.6836 2.9310 2.9310 5.8999 5.8999 6.6654 6.6654 7.4693 7.4693 8.5184 8.5184 8.6458 8.6458 9.6559 9.6559 10.6362 10.6362 10.7313 10.7313 11.5177 11.5177 13.7939 13.7939 14.4105 14.4105 14.9809 14.9809 16.0140 16.0140 19.8254 19.8254 19.9233 19.9233 k = 0.3375 0.5000-0.0000 ( 3030 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1890 -29.1890 -29.1743 -29.1743 -12.5031 -12.5031 -5.2730 -5.2730 -4.6366 -4.6366 -4.4503 -4.4503 0.8800 0.8800 2.6732 2.6732 2.9346 2.9346 5.8931 5.8931 6.5745 6.5745 7.4229 7.4229 8.4993 8.4993 8.6229 8.6229 9.6348 9.6348 10.6646 10.6646 10.7591 10.7591 11.5508 11.5508 13.8606 13.8606 14.4196 14.4196 15.0107 15.0107 16.0241 16.0241 19.8916 19.8916 19.9728 19.9728 k = 0.3500 0.5000-0.0000 ( 3042 PWs) bands (ev): -72.9410 -72.9410 -41.3352 -41.3352 -29.1894 -29.1894 -29.1745 -29.1745 -12.5006 -12.5006 -5.2559 -5.2559 -4.6299 -4.6299 -4.4533 -4.4533 0.8769 0.8769 2.6634 2.6634 2.9381 2.9381 5.8855 5.8855 6.4895 6.4895 7.3796 7.3796 8.4806 8.4806 8.6014 8.6014 9.6158 9.6158 10.6913 10.6913 10.7865 10.7865 11.5805 11.5805 13.9221 13.9221 14.4294 14.4294 15.0406 15.0406 16.0329 16.0329 19.9368 19.9368 19.9934 19.9934 k = 0.3625 0.5000-0.0000 ( 3046 PWs) bands (ev): -72.9410 -72.9410 -41.3352 -41.3352 -29.1897 -29.1897 -29.1746 -29.1746 -12.4982 -12.4982 -5.2398 -5.2398 -4.6239 -4.6239 -4.4556 -4.4556 0.8741 0.8741 2.6542 2.6542 2.9416 2.9416 5.8769 5.8769 6.4110 6.4110 7.3397 7.3397 8.4627 8.4627 8.5813 8.5813 9.5988 9.5988 10.7162 10.7162 10.8129 10.8129 11.6071 11.6071 13.9781 13.9781 14.4402 14.4402 15.0704 15.0704 16.0407 16.0407 19.9523 19.9523 20.0059 20.0059 k = 0.3750 0.5000-0.0000 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3353 -41.3353 -29.1899 -29.1899 -29.1747 -29.1747 -12.4960 -12.4960 -5.2248 -5.2248 -4.6188 -4.6188 -4.4570 -4.4570 0.8714 0.8714 2.6457 2.6457 2.9450 2.9450 5.8670 5.8670 6.3399 6.3399 7.3030 7.3030 8.4457 8.4457 8.5628 8.5628 9.5836 9.5836 10.7393 10.7393 10.8381 10.8381 11.6308 11.6308 14.0284 14.0284 14.4521 14.4521 15.0994 15.0994 16.0476 16.0476 19.9345 19.9345 20.0359 20.0359 k = 0.3875 0.5000-0.0000 ( 3048 PWs) bands (ev): -72.9410 -72.9410 -41.3353 -41.3353 -29.1902 -29.1902 -29.1749 -29.1749 -12.4939 -12.4939 -5.2111 -5.2111 -4.6145 -4.6145 -4.4575 -4.4575 0.8690 0.8690 2.6379 2.6379 2.9483 2.9483 5.8557 5.8557 6.2767 6.2767 7.2697 7.2697 8.4297 8.4297 8.5459 8.5459 9.5703 9.5703 10.7606 10.7606 10.8616 10.8616 11.6516 11.6516 14.0726 14.0726 14.4650 14.4650 15.1274 15.1274 16.0536 16.0536 19.9081 19.9081 20.0684 20.0684 k = 0.4000 0.5000-0.0000 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3353 -41.3353 -29.1905 -29.1905 -29.1749 -29.1749 -12.4921 -12.4921 -5.1987 -5.1987 -4.6110 -4.6110 -4.4574 -4.4574 0.8668 0.8668 2.6309 2.6309 2.9513 2.9513 5.8427 5.8427 6.2220 6.2220 7.2398 7.2398 8.4149 8.4149 8.5306 8.5306 9.5585 9.5585 10.7799 10.7799 10.8834 10.8834 11.6698 11.6698 14.1104 14.1104 14.4788 14.4788 15.1538 15.1538 16.0589 16.0589 19.8811 19.8811 20.0991 20.0991 k = 0.4125 0.5000-0.0000 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3353 -41.3353 -29.1907 -29.1907 -29.1750 -29.1750 -12.4904 -12.4904 -5.1876 -5.1876 -4.6084 -4.6084 -4.4566 -4.4566 0.8648 0.8648 2.6247 2.6247 2.9541 2.9541 5.8281 5.8281 6.1761 6.1761 7.2133 7.2133 8.4015 8.4015 8.5170 8.5170 9.5485 9.5485 10.7972 10.7972 10.9030 10.9030 11.6854 11.6854 14.1423 14.1423 14.4932 14.4932 15.1783 15.1783 16.0635 16.0635 19.8558 19.8558 20.1270 20.1270 k = 0.4250 0.5000-0.0000 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1909 -29.1909 -29.1751 -29.1751 -12.4889 -12.4889 -5.1780 -5.1780 -4.6064 -4.6064 -4.4555 -4.4555 0.8631 0.8631 2.6193 2.6193 2.9567 2.9567 5.8123 5.8123 6.1388 6.1388 7.1902 7.1902 8.3895 8.3895 8.5051 8.5051 9.5399 9.5399 10.8124 10.8124 10.9205 10.9205 11.6986 11.6986 14.1683 14.1683 14.5077 14.5077 15.2004 15.2004 16.0673 16.0673 19.8330 19.8330 20.1518 20.1518 k = 0.4375 0.5000-0.0000 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1911 -29.1911 -29.1751 -29.1751 -12.4876 -12.4876 -5.1698 -5.1698 -4.6050 -4.6050 -4.4541 -4.4541 0.8617 0.8617 2.6147 2.6147 2.9589 2.9589 5.7961 5.7961 6.1096 6.1096 7.1707 7.1707 8.3792 8.3792 8.4950 8.4950 9.5327 9.5327 10.8254 10.8254 10.9354 10.9354 11.7096 11.7096 14.1890 14.1890 14.5217 14.5217 15.2198 15.2198 16.0706 16.0706 19.8133 19.8133 20.1732 20.1732 k = 0.4500 0.5000-0.0000 ( 3032 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1912 -29.1912 -29.1752 -29.1752 -12.4865 -12.4865 -5.1630 -5.1630 -4.6040 -4.6040 -4.4526 -4.4526 0.8605 0.8605 2.6109 2.6109 2.9607 2.9607 5.7807 5.7807 6.0877 6.0877 7.1547 7.1547 8.3706 8.3706 8.4867 8.4867 9.5270 9.5270 10.8362 10.8362 10.9479 10.9479 11.7184 11.7184 14.2049 14.2049 14.5343 14.5343 15.2362 15.2362 16.0732 16.0732 19.7969 19.7969 20.1910 20.1910 k = 0.4625 0.5000-0.0000 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1913 -29.1913 -29.1752 -29.1752 -12.4857 -12.4857 -5.1577 -5.1577 -4.6034 -4.6034 -4.4513 -4.4513 0.8596 0.8596 2.6079 2.6079 2.9622 2.9622 5.7672 5.7672 6.0719 6.0719 7.1422 7.1422 8.3639 8.3639 8.4801 8.4801 9.5225 9.5225 10.8446 10.8446 10.9577 10.9577 11.7252 11.7252 14.2166 14.2166 14.5449 14.5449 15.2491 15.2491 16.0752 16.0752 19.7840 19.7840 20.2051 20.2051 k = 0.4750 0.5000-0.0000 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1914 -29.1914 -29.1752 -29.1752 -12.4851 -12.4851 -5.1539 -5.1539 -4.6031 -4.6031 -4.4502 -4.4502 0.8589 0.8589 2.6058 2.6058 2.9632 2.9632 5.7567 5.7567 6.0613 6.0613 7.1332 7.1332 8.3590 8.3590 8.4755 8.4755 9.5194 9.5194 10.8507 10.8507 10.9647 10.9647 11.7299 11.7299 14.2246 14.2246 14.5530 14.5530 15.2586 15.2586 16.0767 16.0767 19.7747 19.7747 20.2152 20.2152 k = 0.4875 0.5000-0.0000 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1915 -29.1915 -29.1752 -29.1752 -12.4847 -12.4847 -5.1516 -5.1516 -4.6029 -4.6029 -4.4496 -4.4496 0.8585 0.8585 2.6046 2.6046 2.9639 2.9639 5.7501 5.7501 6.0553 6.0553 7.1278 7.1278 8.3560 8.3560 8.4727 8.4727 9.5175 9.5175 10.8543 10.8543 10.9689 10.9689 11.7328 11.7328 14.2292 14.2292 14.5580 14.5580 15.2643 15.2643 16.0775 16.0775 19.7691 19.7691 20.2214 20.2214 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1915 -29.1915 -29.1753 -29.1753 -12.4846 -12.4846 -5.1509 -5.1509 -4.6029 -4.6029 -4.4493 -4.4493 0.8584 0.8584 2.6042 2.6042 2.9641 2.9641 5.7478 5.7478 6.0533 6.0533 7.1260 7.1260 8.3550 8.3550 8.4717 8.4717 9.5169 9.5169 10.8555 10.8555 10.9703 10.9703 11.7337 11.7337 14.2307 14.2307 14.5596 14.5596 15.2661 15.2661 16.0778 16.0778 19.7672 19.7672 20.2234 20.2234 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1915 -29.1915 -29.1753 -29.1753 -12.4846 -12.4846 -5.1509 -5.1509 -4.6029 -4.6029 -4.4493 -4.4493 0.8584 0.8584 2.6042 2.6042 2.9641 2.9641 5.7478 5.7478 6.0533 6.0533 7.1260 7.1260 8.3550 8.3550 8.4717 8.4717 9.5169 9.5169 10.8555 10.8555 10.9703 10.9703 11.7337 11.7337 14.2307 14.2307 14.5596 14.5596 15.2661 15.2661 16.0778 16.0778 19.7672 19.7672 20.2234 20.2234 k = 0.4911 0.4911-0.0000 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1915 -29.1915 -29.1752 -29.1752 -12.4847 -12.4847 -5.1517 -5.1517 -4.6029 -4.6029 -4.4496 -4.4496 0.8585 0.8585 2.6046 2.6046 2.9639 2.9639 5.7501 5.7501 6.0553 6.0553 7.1279 7.1279 8.3561 8.3561 8.4727 8.4727 9.5175 9.5175 10.8543 10.8543 10.9689 10.9689 11.7327 11.7327 14.2292 14.2292 14.5579 14.5579 15.2642 15.2642 16.0775 16.0775 19.7691 19.7691 20.2213 20.2213 k = 0.4821 0.4821-0.0000 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1914 -29.1914 -29.1752 -29.1752 -12.4851 -12.4851 -5.1540 -5.1540 -4.6031 -4.6031 -4.4503 -4.4503 0.8589 0.8589 2.6059 2.6059 2.9632 2.9632 5.7571 5.7571 6.0613 6.0613 7.1334 7.1334 8.3591 8.3591 8.4756 8.4756 9.5194 9.5194 10.8504 10.8504 10.9647 10.9647 11.7299 11.7299 14.2246 14.2246 14.5527 14.5527 15.2583 15.2583 16.0766 16.0766 19.7747 19.7747 20.2151 20.2151 k = 0.4732 0.4732-0.0000 ( 3032 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1913 -29.1913 -29.1752 -29.1752 -12.4857 -12.4857 -5.1578 -5.1578 -4.6034 -4.6034 -4.4515 -4.4515 0.8596 0.8596 2.6080 2.6080 2.9621 2.9621 5.7687 5.7687 6.0712 6.0712 7.1425 7.1425 8.3641 8.3641 8.4803 8.4803 9.5226 9.5226 10.8437 10.8437 10.9582 10.9582 11.7251 11.7251 14.2168 14.2168 14.5441 14.5441 15.2486 15.2486 16.0752 16.0752 19.7839 19.7839 20.2050 20.2050 k = 0.4643 0.4643-0.0000 ( 3032 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1912 -29.1912 -29.1752 -29.1752 -12.4866 -12.4866 -5.1630 -5.1630 -4.6039 -4.6039 -4.4532 -4.4532 0.8605 0.8605 2.6110 2.6110 2.9606 2.9606 5.7849 5.7849 6.0851 6.0851 7.1553 7.1553 8.3711 8.3711 8.4869 8.4869 9.5271 9.5271 10.8335 10.8335 10.9500 10.9500 11.7185 11.7185 14.2060 14.2060 14.5320 14.5320 15.2349 15.2349 16.0731 16.0731 19.7960 19.7960 20.1914 20.1914 k = 0.4554 0.4554-0.0000 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1910 -29.1910 -29.1751 -29.1751 -12.4877 -12.4877 -5.1696 -5.1696 -4.6046 -4.6046 -4.4554 -4.4554 0.8616 0.8616 2.6147 2.6147 2.9588 2.9588 5.8055 5.8055 6.1029 6.1029 7.1717 7.1717 8.3800 8.3800 8.4954 8.4954 9.5329 9.5329 10.8195 10.8195 10.9409 10.9409 11.7101 11.7101 14.1921 14.1921 14.5166 14.5166 15.2173 15.2173 16.0704 16.0704 19.8104 19.8104 20.1750 20.1750 k = 0.4464 0.4464-0.0000 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1909 -29.1909 -29.1751 -29.1751 -12.4890 -12.4890 -5.1774 -5.1774 -4.6055 -4.6055 -4.4581 -4.4581 0.8630 0.8630 2.6192 2.6192 2.9566 2.9566 5.8306 5.8306 6.1246 6.1246 7.1918 7.1918 8.3909 8.3909 8.5056 8.5056 9.5401 9.5401 10.8013 10.8013 10.9315 10.9315 11.6998 11.6998 14.1751 14.1751 14.4979 14.4979 15.1960 15.1960 16.0671 16.0671 19.8259 19.8259 20.1569 20.1569 k = 0.4375 0.4375-0.0000 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3353 -41.3353 -29.1907 -29.1907 -29.1750 -29.1750 -12.4906 -12.4906 -5.1863 -5.1863 -4.6067 -4.6067 -4.4613 -4.4613 0.8645 0.8645 2.6244 2.6244 2.9540 2.9540 5.8599 5.8599 6.1502 6.1502 7.2154 7.2154 8.4036 8.4036 8.5176 8.5176 9.5486 9.5486 10.7786 10.7786 10.9223 10.9223 11.6879 11.6879 14.1550 14.1550 14.4759 14.4759 15.1709 15.1709 16.0631 16.0631 19.8406 19.8406 20.1387 20.1387 k = 0.4286 0.4286-0.0000 ( 3052 PWs) bands (ev): -72.9410 -72.9410 -41.3353 -41.3353 -29.1904 -29.1904 -29.1750 -29.1750 -12.4925 -12.4925 -5.1962 -5.1962 -4.6082 -4.6082 -4.4651 -4.4651 0.8662 0.8662 2.6303 2.6303 2.9512 2.9512 5.8935 5.8935 6.1795 6.1795 7.2427 7.2427 8.4181 8.4181 8.5313 8.5313 9.5585 9.5585 10.7516 10.7516 10.9137 10.9137 11.6744 11.6744 14.1318 14.1318 14.4509 14.4509 15.1421 15.1421 16.0585 16.0585 19.8515 19.8515 20.1231 20.1231 k = 0.4196 0.4196-0.0000 ( 3052 PWs) bands (ev): -72.9410 -72.9410 -41.3353 -41.3353 -29.1901 -29.1901 -29.1749 -29.1749 -12.4945 -12.4945 -5.2070 -5.2070 -4.6100 -4.6100 -4.4694 -4.4694 0.8681 0.8681 2.6367 2.6367 2.9482 2.9482 5.9311 5.9311 6.2128 6.2128 7.2736 7.2736 8.4345 8.4345 8.5467 8.5467 9.5699 9.5699 10.7209 10.7209 10.9056 10.9056 11.6594 11.6594 14.1057 14.1057 14.4228 14.4228 15.1096 15.1096 16.0532 16.0532 19.8548 19.8548 20.1140 20.1140 k = 0.4107 0.4107-0.0000 ( 3056 PWs) bands (ev): -72.9410 -72.9410 -41.3353 -41.3353 -29.1898 -29.1898 -29.1748 -29.1748 -12.4968 -12.4968 -5.2185 -5.2185 -4.6123 -4.6123 -4.4743 -4.4743 0.8700 0.8700 2.6436 2.6436 2.9451 2.9451 5.9725 5.9725 6.2498 6.2498 7.3081 7.3081 8.4525 8.4525 8.5637 8.5637 9.5828 9.5828 10.6870 10.6870 10.8978 10.8978 11.6429 11.6429 14.0766 14.0766 14.3918 14.3918 15.0737 15.0737 16.0472 16.0472 19.8466 19.8466 20.1146 20.1146 k = 0.4018 0.4018-0.0000 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3352 -41.3352 -29.1895 -29.1895 -29.1747 -29.1747 -12.4994 -12.4994 -5.2306 -5.2306 -4.6149 -4.6149 -4.4798 -4.4798 0.8719 0.8719 2.6509 2.6509 2.9418 2.9418 6.0178 6.0178 6.2906 6.2906 7.3462 7.3462 8.4722 8.4722 8.5822 8.5822 9.5972 9.5972 10.6505 10.6505 10.8903 10.8903 11.6251 11.6251 14.0446 14.0446 14.3581 14.3581 15.0343 15.0343 16.0405 16.0405 19.8255 19.8255 20.1260 20.1260 k = 0.3929 0.3929-0.0000 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3352 -41.3352 -29.1891 -29.1891 -29.1746 -29.1746 -12.5022 -12.5022 -5.2431 -5.2431 -4.6180 -4.6180 -4.4859 -4.4859 0.8739 0.8739 2.6585 2.6585 2.9385 2.9385 6.0665 6.0665 6.3350 6.3350 7.3877 7.3877 8.4934 8.4934 8.6021 8.6021 9.6133 9.6133 10.6121 10.6121 10.8830 10.8830 11.6060 11.6060 14.0096 14.0096 14.3216 14.3216 14.9917 14.9917 16.0330 16.0330 19.7929 19.7929 20.1457 20.1457 k = 0.3839 0.3839-0.0000 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1887 -29.1887 -29.1745 -29.1745 -12.5052 -12.5052 -5.2560 -5.2560 -4.6214 -4.6214 -4.4925 -4.4925 0.8759 0.8759 2.6663 2.6663 2.9352 2.9352 6.1186 6.1186 6.3832 6.3832 7.4328 7.4328 8.5161 8.5161 8.6235 8.6235 9.6309 9.6309 10.5723 10.5723 10.8757 10.8757 11.5859 11.5859 13.9718 13.9718 14.2825 14.2825 14.9458 14.9458 16.0247 16.0247 19.7513 19.7513 20.1065 20.1065 k = 0.3750 0.3750-0.0000 ( 3030 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1882 -29.1882 -29.1744 -29.1744 -12.5084 -12.5084 -5.2690 -5.2690 -4.6253 -4.6253 -4.4998 -4.4998 0.8778 0.8778 2.6741 2.6741 2.9321 2.9321 6.1738 6.1738 6.4349 6.4349 7.4813 7.4813 8.5401 8.5401 8.6463 8.6463 9.6503 9.6503 10.5319 10.5319 10.8685 10.8685 11.5648 11.5648 13.9313 13.9313 14.2410 14.2410 14.8970 14.8970 16.0156 16.0156 19.7024 19.7024 20.0044 20.0044 k = 0.3661 0.3661-0.0000 ( 3026 PWs) bands (ev): -72.9409 -72.9409 -41.3350 -41.3350 -29.1878 -29.1878 -29.1742 -29.1742 -12.5118 -12.5118 -5.2822 -5.2822 -4.6296 -4.6296 -4.5076 -4.5076 0.8795 0.8795 2.6818 2.6818 2.9291 2.9291 6.2320 6.2320 6.4902 6.4902 7.5332 7.5332 8.5652 8.5652 8.6705 8.6705 9.6713 9.6713 10.4912 10.4912 10.8612 10.8612 11.5428 11.5428 13.8881 13.8881 14.1970 14.1970 14.8454 14.8454 16.0056 16.0056 19.6473 19.6473 19.8977 19.8977 k = 0.3571 0.3571-0.0000 ( 3022 PWs) bands (ev): -72.9409 -72.9409 -41.3350 -41.3350 -29.1873 -29.1873 -29.1741 -29.1741 -12.5155 -12.5155 -5.2953 -5.2953 -4.6343 -4.6343 -4.5160 -4.5160 0.8812 0.8812 2.6893 2.6893 2.9264 2.9264 6.2929 6.2929 6.5490 6.5490 7.5885 7.5885 8.5913 8.5913 8.6961 8.6961 9.6942 9.6942 10.4511 10.4511 10.8540 10.8540 11.5202 11.5202 13.8424 13.8424 14.1508 14.1508 14.7910 14.7910 15.9947 15.9947 19.5858 19.5858 19.7885 19.7885 k = 0.3482 0.3482-0.0000 ( 3019 PWs) bands (ev): -72.9409 -72.9409 -41.3349 -41.3349 -29.1868 -29.1868 -29.1740 -29.1740 -12.5194 -12.5194 -5.3084 -5.3084 -4.6394 -4.6394 -4.5249 -4.5249 0.8826 0.8826 2.6964 2.6964 2.9239 2.9239 6.3562 6.3562 6.6113 6.6113 7.6470 7.6470 8.6182 8.6182 8.7232 8.7232 9.7188 9.7188 10.4118 10.4118 10.8468 10.8468 11.4969 11.4969 13.7942 13.7942 14.1024 14.1024 14.7340 14.7340 15.9829 15.9829 19.5165 19.5165 19.6793 19.6793 k = 0.3393 0.3393-0.0000 ( 3027 PWs) bands (ev): -72.9409 -72.9409 -41.3349 -41.3349 -29.1863 -29.1863 -29.1739 -29.1739 -12.5235 -12.5235 -5.3212 -5.3212 -4.6449 -4.6449 -4.5344 -4.5344 0.8839 0.8839 2.7029 2.7029 2.9218 2.9218 6.4218 6.4218 6.6769 6.6769 7.7087 7.7087 8.6456 8.6456 8.7520 8.7520 9.7452 9.7452 10.3740 10.3740 10.8395 10.8395 11.4732 11.4732 13.7436 13.7436 14.0518 14.0518 14.6746 14.6746 15.9701 15.9701 19.4356 19.4356 19.5746 19.5746 k = 0.3304 0.3304-0.0000 ( 3027 PWs) bands (ev): -72.9409 -72.9409 -41.3348 -41.3348 -29.1858 -29.1858 -29.1737 -29.1737 -12.5278 -12.5278 -5.3338 -5.3338 -4.6507 -4.6507 -4.5443 -4.5443 0.8848 0.8848 2.7088 2.7088 2.9200 2.9200 6.4895 6.4895 6.7459 6.7459 7.7736 7.7736 8.6731 8.6731 8.7824 8.7824 9.7734 9.7734 10.3382 10.3382 10.8323 10.8323 11.4493 11.4493 13.6909 13.6909 13.9993 13.9993 14.6131 14.6131 15.9563 15.9563 19.3384 19.3384 19.4797 19.4797 k = 0.3214 0.3214-0.0000 ( 3017 PWs) bands (ev): -72.9409 -72.9409 -41.3348 -41.3348 -29.1852 -29.1852 -29.1736 -29.1736 -12.5322 -12.5322 -5.3460 -5.3460 -4.6567 -4.6567 -4.5547 -4.5547 0.8855 0.8855 2.7139 2.7139 2.9186 2.9186 6.5590 6.5590 6.8180 6.8180 7.8415 7.8415 8.7007 8.7007 8.8149 8.8149 9.8035 9.8035 10.3049 10.3049 10.8252 10.8252 11.4252 11.4252 13.6362 13.6362 13.9448 13.9448 14.5494 14.5494 15.9416 15.9416 19.2253 19.2253 19.3950 19.3950 k = 0.3125 0.3125-0.0000 ( 3019 PWs) bands (ev): -72.9409 -72.9409 -41.3347 -41.3347 -29.1847 -29.1847 -29.1734 -29.1734 -12.5369 -12.5369 -5.3578 -5.3578 -4.6631 -4.6631 -4.5654 -4.5654 0.8859 0.8859 2.7182 2.7182 2.9175 2.9175 6.6302 6.6302 6.8932 6.8932 7.9122 7.9122 8.7279 8.7279 8.8492 8.8492 9.8353 9.8353 10.2745 10.2745 10.8182 10.8182 11.4011 11.4011 13.5795 13.5795 13.8885 13.8885 14.4837 14.4837 15.9259 15.9259 19.1011 19.1011 19.3160 19.3160 k = 0.3036 0.3036-0.0000 ( 3021 PWs) bands (ev): -72.9409 -72.9409 -41.3346 -41.3346 -29.1841 -29.1841 -29.1733 -29.1733 -12.5417 -12.5417 -5.3691 -5.3691 -4.6697 -4.6697 -4.5765 -4.5765 0.8859 0.8859 2.7217 2.7217 2.9166 2.9166 6.7029 6.7029 6.9714 6.9714 7.9857 7.9857 8.7547 8.7547 8.8857 8.8857 9.8687 9.8687 10.2475 10.2475 10.8113 10.8113 11.3772 11.3772 13.5212 13.5212 13.8303 13.8303 14.4163 14.4163 15.9091 15.9091 18.9700 18.9700 19.2392 19.2392 k = 0.2946 0.2946-0.0000 ( 3013 PWs) bands (ev): -72.9409 -72.9409 -41.3346 -41.3346 -29.1835 -29.1835 -29.1731 -29.1731 -12.5466 -12.5466 -5.3800 -5.3800 -4.6766 -4.6766 -4.5879 -4.5879 0.8856 0.8856 2.7243 2.7243 2.9158 2.9158 6.7769 6.7769 7.0524 7.0524 8.0618 8.0618 8.7809 8.7809 8.9244 8.9244 9.9038 9.9038 10.2243 10.2243 10.8045 10.8045 11.3537 11.3537 13.4614 13.4614 13.7705 13.7705 14.3473 14.3473 15.8912 15.8912 18.8342 18.8342 19.1626 19.1626 k = 0.2857 0.2857-0.0000 ( 3025 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1829 -29.1829 -29.1729 -29.1729 -12.5517 -12.5517 -5.3904 -5.3904 -4.6836 -4.6836 -4.5995 -4.5995 0.8849 0.8849 2.7261 2.7261 2.9150 2.9150 6.8520 6.8520 7.1359 7.1359 8.1404 8.1404 8.8064 8.8064 8.9651 8.9651 9.9403 9.9403 10.2054 10.2054 10.7979 10.7979 11.3305 11.3305 13.4001 13.4001 13.7089 13.7089 14.2766 14.2766 15.8722 15.8722 18.6949 18.6949 19.0856 19.0856 k = 0.2768 0.2768-0.0000 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1823 -29.1823 -29.1728 -29.1728 -12.5570 -12.5570 -5.4002 -5.4002 -4.6908 -4.6908 -4.6113 -4.6113 0.8838 0.8838 2.7272 2.7272 2.9140 2.9140 6.9281 6.9281 7.2218 7.2218 8.2212 8.2212 8.8312 8.8312 9.0079 9.0079 9.9781 9.9781 10.1912 10.1912 10.7915 10.7915 11.3081 11.3081 13.3375 13.3375 13.6458 13.6458 14.2046 14.2046 15.8522 15.8522 18.5529 18.5529 19.0077 19.0077 k = 0.2679 0.2679-0.0000 ( 3027 PWs) bands (ev): -72.9410 -72.9410 -41.3344 -41.3344 -29.1817 -29.1817 -29.1726 -29.1726 -12.5623 -12.5623 -5.4094 -5.4094 -4.6980 -4.6980 -4.6232 -4.6232 0.8824 0.8824 2.7276 2.7276 2.9127 2.9127 7.0050 7.0050 7.3100 7.3100 8.3041 8.3041 8.8555 8.8555 9.0526 9.0526 10.0167 10.0167 10.1823 10.1823 10.7853 10.7853 11.2864 11.2864 13.2739 13.2739 13.5811 13.5811 14.1314 14.1314 15.8310 15.8310 18.4089 18.4089 18.9290 18.9290 k = 0.2589 0.2589-0.0000 ( 3027 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1811 -29.1811 -29.1724 -29.1724 -12.5677 -12.5677 -5.4182 -5.4182 -4.7054 -4.7054 -4.6350 -4.6350 0.8805 0.8805 2.7274 2.7274 2.9109 2.9109 7.0826 7.0826 7.4001 7.4001 8.3889 8.3889 8.8792 8.8792 9.0993 9.0993 10.0556 10.0556 10.1795 10.1795 10.7794 10.7794 11.2657 11.2657 13.2094 13.2094 13.5150 13.5150 14.0569 14.0569 15.8087 15.8087 18.2631 18.2631 18.8493 18.8493 k = 0.2500 0.2500-0.0000 ( 3031 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1805 -29.1805 -29.1723 -29.1723 -12.5732 -12.5732 -5.4263 -5.4263 -4.7128 -4.7128 -4.6469 -4.6469 0.8782 0.8782 2.7267 2.7267 2.9085 2.9085 7.1607 7.1607 7.4919 7.4919 8.4754 8.4754 8.9024 8.9024 9.1478 9.1478 10.0933 10.0933 10.1845 10.1845 10.7736 10.7736 11.2462 11.2462 13.1441 13.1441 13.4474 13.4474 13.9814 13.9814 15.7853 15.7853 18.1159 18.1159 18.7689 18.7689 k = 0.2411 0.2411-0.0000 ( 3019 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1798 -29.1798 -29.1721 -29.1721 -12.5788 -12.5788 -5.4339 -5.4339 -4.7202 -4.7202 -4.6586 -4.6586 0.8755 0.8755 2.7256 2.7256 2.9054 2.9054 7.2391 7.2391 7.5851 7.5851 8.5632 8.5632 8.9251 8.9251 9.1980 9.1980 10.1271 10.1271 10.1998 10.1998 10.7681 10.7681 11.2280 11.2280 13.0781 13.0781 13.3786 13.3786 13.9050 13.9050 15.7608 15.7608 17.9678 17.9678 18.6878 18.6878 k = 0.2321 0.2321-0.0000 ( 3019 PWs) bands (ev): -72.9410 -72.9410 -41.3341 -41.3341 -29.1792 -29.1792 -29.1719 -29.1719 -12.5844 -12.5844 -5.4410 -5.4410 -4.7276 -4.7276 -4.6702 -4.6702 0.8724 0.8724 2.7242 2.7242 2.9015 2.9015 7.3176 7.3176 7.6796 7.6796 8.6522 8.6522 8.9476 8.9476 9.2498 9.2498 10.1550 10.1550 10.2276 10.2276 10.7629 10.7629 11.2112 11.2112 13.0117 13.0117 13.3084 13.3084 13.8277 13.8277 15.7350 15.7350 17.8188 17.8188 18.6061 18.6061 k = 0.2232 0.2232-0.0000 ( 3023 PWs) bands (ev): -72.9410 -72.9410 -41.3341 -41.3341 -29.1786 -29.1786 -29.1718 -29.1718 -12.5900 -12.5900 -5.4476 -5.4476 -4.7349 -4.7349 -4.6815 -4.6815 0.8690 0.8690 2.7226 2.7226 2.8966 2.8966 7.3959 7.3959 7.7750 7.7750 8.7421 8.7421 8.9698 8.9698 9.3033 9.3033 10.1795 10.1795 10.2651 10.2651 10.7578 10.7578 11.1961 11.1961 12.9449 12.9449 13.2371 13.2371 13.7496 13.7496 15.7081 15.7081 17.6694 17.6694 18.5241 18.5241 k = 0.2143 0.2143-0.0000 ( 3023 PWs) bands (ev): -72.9410 -72.9410 -41.3340 -41.3340 -29.1780 -29.1780 -29.1716 -29.1716 -12.5957 -12.5957 -5.4537 -5.4537 -4.7422 -4.7422 -4.6926 -4.6926 0.8651 0.8651 2.7208 2.7208 2.8909 2.8909 7.4739 7.4739 7.8711 7.8711 8.8324 8.8324 8.9922 8.9922 9.3582 9.3582 10.2052 10.2052 10.3080 10.3080 10.7530 10.7530 11.1829 11.1829 12.8778 12.8778 13.1647 13.1647 13.6708 13.6708 15.6801 15.6801 17.5198 17.5198 18.4420 18.4420 k = 0.2054 0.2054-0.0000 ( 3019 PWs) bands (ev): -72.9410 -72.9410 -41.3339 -41.3339 -29.1774 -29.1774 -29.1715 -29.1715 -12.6013 -12.6013 -5.4593 -5.4593 -4.7492 -4.7492 -4.7033 -4.7033 0.8610 0.8610 2.7189 2.7189 2.8842 2.8842 7.5512 7.5512 7.9675 7.9675 8.9223 8.9223 9.0153 9.0153 9.4146 9.4146 10.2343 10.2343 10.3537 10.3537 10.7484 10.7484 11.1717 11.1717 12.8105 12.8105 13.0912 13.0912 13.5915 13.5915 15.6510 15.6510 17.3705 17.3705 18.3599 18.3599 k = 0.1964 0.1964-0.0000 ( 3021 PWs) bands (ev): -72.9410 -72.9410 -41.3339 -41.3339 -29.1768 -29.1768 -29.1713 -29.1713 -12.6069 -12.6069 -5.4645 -5.4645 -4.7562 -4.7562 -4.7136 -4.7136 0.8565 0.8565 2.7169 2.7169 2.8766 2.8766 7.6276 7.6276 8.0639 8.0639 9.0058 9.0058 9.0449 9.0449 9.4724 9.4724 10.2677 10.2677 10.4010 10.4010 10.7440 10.7440 11.1626 11.1626 12.7432 12.7432 13.0168 13.0168 13.5116 13.5116 15.6208 15.6208 17.2217 17.2217 18.2782 18.2782 k = 0.1875 0.1875-0.0000 ( 3023 PWs) bands (ev): -72.9410 -72.9410 -41.3338 -41.3338 -29.1762 -29.1762 -29.1712 -29.1712 -12.6124 -12.6124 -5.4694 -5.4694 -4.7629 -4.7629 -4.7236 -4.7236 0.8517 0.8517 2.7149 2.7149 2.8681 2.8681 7.7028 7.7028 8.1601 8.1601 9.0493 9.0493 9.1148 9.1148 9.5315 9.5315 10.3058 10.3058 10.4494 10.4494 10.7397 10.7397 11.1559 11.1559 12.6759 12.6759 12.9414 12.9414 13.4312 13.4312 15.5895 15.5895 17.0737 17.0737 18.1971 18.1971 k = 0.1786 0.1786-0.0000 ( 3027 PWs) bands (ev): -72.9410 -72.9410 -41.3338 -41.3338 -29.1757 -29.1757 -29.1710 -29.1710 -12.6179 -12.6179 -5.4738 -5.4738 -4.7694 -4.7694 -4.7331 -4.7331 0.8467 0.8467 2.7129 2.7129 2.8588 2.8588 7.7764 7.7764 8.2555 8.2555 9.0736 9.0736 9.2037 9.2037 9.5918 9.5918 10.3484 10.3484 10.4986 10.4986 10.7356 10.7356 11.1517 11.1517 12.6087 12.6087 12.8653 12.8653 13.3505 13.3505 15.5573 15.5573 16.9269 16.9269 18.1168 18.1168 k = 0.1696 0.1696-0.0000 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3337 -41.3337 -29.1751 -29.1751 -29.1709 -29.1709 -12.6232 -12.6232 -5.4779 -5.4779 -4.7755 -4.7755 -4.7422 -4.7422 0.8414 0.8414 2.7109 2.7109 2.8488 2.8488 7.8481 7.8481 8.3500 8.3500 9.0961 9.0961 9.2943 9.2943 9.6533 9.6533 10.3955 10.3955 10.5483 10.5483 10.7318 10.7318 11.1501 11.1501 12.5417 12.5417 12.7885 12.7885 13.2696 13.2696 15.5241 15.5241 16.7816 16.7816 18.0376 18.0376 k = 0.1607 0.1607-0.0000 ( 3037 PWs) bands (ev): -72.9410 -72.9410 -41.3337 -41.3337 -29.1746 -29.1746 -29.1707 -29.1707 -12.6284 -12.6284 -5.4817 -5.4817 -4.7814 -4.7814 -4.7508 -4.7508 0.8360 0.8360 2.7090 2.7090 2.8383 2.8383 7.9176 7.9176 8.4430 8.4430 9.1183 9.1183 9.3850 9.3850 9.7158 9.7158 10.4464 10.4464 10.5984 10.5984 10.7281 10.7281 11.1512 11.1512 12.4749 12.4749 12.7111 12.7111 13.1885 13.1885 15.4902 15.4902 16.6381 16.6381 17.9599 17.9599 k = 0.1518 0.1518-0.0000 ( 3037 PWs) bands (ev): -72.9410 -72.9410 -41.3336 -41.3336 -29.1741 -29.1741 -29.1706 -29.1706 -12.6335 -12.6335 -5.4853 -5.4853 -4.7869 -4.7869 -4.7589 -4.7589 0.8304 0.8304 2.7071 2.7071 2.8272 2.8272 7.9846 7.9846 8.5343 8.5343 9.1405 9.1405 9.4755 9.4755 9.7793 9.7793 10.5008 10.5008 10.6487 10.6487 10.7247 10.7247 11.1552 11.1552 12.4083 12.4083 12.6331 12.6331 13.1074 13.1074 15.4556 15.4556 16.4970 16.4970 17.8838 17.8838 k = 0.1429 0.1429-0.0000 ( 3033 PWs) bands (ev): -72.9410 -72.9410 -41.3335 -41.3335 -29.1736 -29.1736 -29.1704 -29.1704 -12.6384 -12.6384 -5.4886 -5.4886 -4.7921 -4.7921 -4.7665 -4.7665 0.8247 0.8247 2.7054 2.7054 2.8158 2.8158 8.0487 8.0487 8.6232 8.6232 9.1628 9.1628 9.5655 9.5655 9.8437 9.8437 10.5581 10.5581 10.6984 10.6984 10.7227 10.7227 11.1619 11.1619 12.3421 12.3421 12.5548 12.5548 13.0265 13.0265 15.4205 15.4205 16.3587 16.3587 17.8098 17.8098 k = 0.1339 0.1339-0.0000 ( 3025 PWs) bands (ev): -72.9410 -72.9410 -41.3335 -41.3335 -29.1731 -29.1731 -29.1703 -29.1703 -12.6432 -12.6432 -5.4916 -5.4916 -4.7968 -4.7968 -4.7737 -4.7737 0.8190 0.8190 2.7037 2.7037 2.8042 2.8042 8.1096 8.1096 8.7096 8.7096 9.1853 9.1853 9.6550 9.6550 9.9089 9.9089 10.6172 10.6172 10.7166 10.7166 10.7529 10.7529 11.1714 11.1714 12.2762 12.2762 12.4762 12.4762 12.9459 12.9459 15.3850 15.3850 16.2235 16.2235 17.7381 17.7381 k = 0.1250 0.1250-0.0000 ( 3025 PWs) bands (ev): -72.9410 -72.9410 -41.3334 -41.3334 -29.1726 -29.1726 -29.1702 -29.1702 -12.6477 -12.6477 -5.4945 -5.4945 -4.8011 -4.8011 -4.7803 -4.7803 0.8133 0.8133 2.7021 2.7021 2.7926 2.7926 8.1670 8.1670 8.7927 8.7927 9.2078 9.2078 9.7440 9.7440 9.9747 9.9747 10.6767 10.6767 10.7155 10.7155 10.8040 10.8040 11.1837 11.1837 12.2106 12.2106 12.3974 12.3974 12.8657 12.8657 15.3494 15.3494 16.0920 16.0920 17.6691 17.6691 k = 0.1161 0.1161-0.0000 ( 3015 PWs) bands (ev): -72.9410 -72.9410 -41.3334 -41.3334 -29.1722 -29.1722 -29.1701 -29.1701 -12.6520 -12.6520 -5.4971 -5.4971 -4.8050 -4.8050 -4.7865 -4.7865 0.8076 0.8076 2.7007 2.7007 2.7810 2.7810 8.2206 8.2206 8.8723 8.8723 9.2303 9.2303 9.8323 9.8323 10.0410 10.0410 10.7088 10.7088 10.7417 10.7417 10.8563 10.8563 11.1985 11.1985 12.1453 12.1453 12.3186 12.3186 12.7862 12.7862 15.3139 15.3139 15.9648 15.9648 17.6030 17.6030 k = 0.1071 0.1071-0.0000 ( 3019 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1718 -29.1718 -29.1700 -29.1700 -12.6561 -12.6561 -5.4996 -5.4996 -4.8086 -4.8086 -4.7923 -4.7923 0.8021 0.8021 2.6993 2.6993 2.7696 2.7696 8.2703 8.2703 8.9479 8.9479 9.2526 9.2526 9.9198 9.9198 10.1075 10.1075 10.7079 10.7079 10.8003 10.8003 10.9096 10.9096 11.2157 11.2157 12.0804 12.0804 12.2399 12.2399 12.7077 12.7077 15.2787 15.2787 15.8423 15.8423 17.5402 17.5402 k = 0.0982 0.0982-0.0000 ( 3015 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1714 -29.1714 -29.1698 -29.1698 -12.6599 -12.6599 -5.5019 -5.5019 -4.8116 -4.8116 -4.7975 -4.7975 0.7967 0.7967 2.6981 2.6981 2.7586 2.7586 8.3158 8.3158 9.0191 9.0191 9.2745 9.2745 10.0065 10.0065 10.1741 10.1741 10.7060 10.7060 10.8582 10.8582 10.9639 10.9639 11.2349 11.2349 12.0160 12.0160 12.1615 12.1615 12.6305 12.6305 15.2442 15.2442 15.7253 15.7253 17.4809 17.4809 k = 0.0893 0.0893-0.0000 ( 3015 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1710 -29.1710 -29.1698 -29.1698 -12.6635 -12.6635 -5.5040 -5.5040 -4.8144 -4.8144 -4.8023 -4.8023 0.7916 0.7916 2.6969 2.6969 2.7481 2.7481 8.3572 8.3572 9.0854 9.0854 9.2959 9.2959 10.0920 10.0920 10.2404 10.2404 10.7043 10.7043 10.9137 10.9137 11.0190 11.0190 11.2559 11.2559 11.9520 11.9520 12.0837 12.0837 12.5550 12.5550 15.2107 15.2107 15.6145 15.6145 17.4256 17.4256 k = 0.0804 0.0804-0.0000 ( 3013 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1707 -29.1707 -29.1697 -29.1697 -12.6667 -12.6667 -5.5060 -5.5060 -4.8167 -4.8167 -4.8067 -4.8067 0.7867 0.7867 2.6959 2.6959 2.7382 2.7382 8.3943 8.3943 9.1465 9.1465 9.3164 9.3164 10.1762 10.1762 10.3060 10.3060 10.7027 10.7027 10.9662 10.9662 11.0746 11.0746 11.2780 11.2780 11.8886 11.8886 12.0067 12.0067 12.4816 12.4816 15.1786 15.1786 15.5105 15.5105 17.3744 17.3744 k = 0.0714 0.0714-0.0000 ( 3015 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1704 -29.1704 -29.1696 -29.1696 -12.6697 -12.6697 -5.5078 -5.5078 -4.8187 -4.8187 -4.8106 -4.8106 0.7822 0.7822 2.6950 2.6950 2.7290 2.7290 8.4272 8.4272 9.2020 9.2020 9.3358 9.3358 10.2586 10.2586 10.3704 10.3704 10.7015 10.7015 11.0156 11.0156 11.1297 11.1297 11.3006 11.3006 11.8262 11.8262 11.9309 11.9309 12.4108 12.4108 15.1482 15.1482 15.4143 15.4143 17.3277 17.3277 k = 0.0625 0.0625-0.0000 ( 2997 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1701 -29.1701 -29.1695 -29.1695 -12.6723 -12.6723 -5.5093 -5.5093 -4.8203 -4.8203 -4.8140 -4.8140 0.7781 0.7781 2.6942 2.6942 2.7206 2.7206 8.4559 8.4559 9.2517 9.2517 9.3538 9.3538 10.3385 10.3385 10.4330 10.4330 10.7004 10.7004 11.0622 11.0622 11.1832 11.1832 11.3232 11.3232 11.7651 11.7651 11.8567 11.8567 12.3435 12.3435 15.1201 15.1201 15.3266 15.3266 17.2857 17.2857 k = 0.0536 0.0536-0.0000 ( 2997 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1699 -29.1699 -29.1694 -29.1694 -12.6746 -12.6746 -5.5107 -5.5107 -4.8217 -4.8217 -4.8169 -4.8169 0.7744 0.7744 2.6935 2.6935 2.7132 2.7132 8.4805 8.4805 9.2953 9.2953 9.3700 9.3700 10.4150 10.4150 10.4927 10.4927 10.6996 10.6996 11.1060 11.1060 11.2340 11.2340 11.3448 11.3448 11.7060 11.7060 11.7846 11.7846 12.2802 12.2802 15.0946 15.0946 15.2481 15.2481 17.2487 17.2487 k = 0.0446 0.0446-0.0000 ( 2993 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1697 -29.1697 -29.1694 -29.1694 -12.6766 -12.6766 -5.5119 -5.5119 -4.8228 -4.8228 -4.8194 -4.8194 0.7712 0.7712 2.6930 2.6930 2.7068 2.7068 8.5010 8.5010 9.3325 9.3325 9.3842 9.3842 10.4869 10.4869 10.5483 10.5483 10.6991 10.6991 11.1476 11.1476 11.2807 11.2807 11.3645 11.3645 11.6500 11.6500 11.7156 11.7156 12.2221 12.2221 15.0722 15.0722 15.1799 15.1799 17.2170 17.2170 k = 0.0357 0.0357-0.0000 ( 2993 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1695 -29.1695 -29.1693 -29.1693 -12.6782 -12.6782 -5.5129 -5.5129 -4.8237 -4.8237 -4.8215 -4.8215 0.7685 0.7685 2.6925 2.6925 2.7014 2.7014 8.5177 8.5177 9.3632 9.3632 9.3962 9.3962 10.5524 10.5524 10.5983 10.5983 10.6987 10.6987 11.1870 11.1870 11.3217 11.3217 11.3813 11.3813 11.5989 11.5989 11.6507 11.6507 12.1704 12.1704 15.0532 15.0532 15.1227 15.1227 17.1907 17.1907 k = 0.0268 0.0268-0.0000 ( 2993 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1694 -29.1694 -29.1693 -29.1693 -12.6795 -12.6795 -5.5137 -5.5137 -4.8243 -4.8243 -4.8231 -4.8231 0.7664 0.7664 2.6921 2.6921 2.6972 2.6972 8.5305 8.5305 9.3872 9.3872 9.4058 9.4058 10.6090 10.6090 10.6406 10.6406 10.6988 10.6988 11.2246 11.2246 11.3549 11.3549 11.3936 11.3936 11.5555 11.5555 11.5921 11.5921 12.1269 12.1269 15.0380 15.0380 15.0774 15.0774 17.1701 17.1701 k = 0.0179 0.0179-0.0000 ( 2979 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1693 -29.1693 -29.1692 -29.1692 -12.6804 -12.6804 -5.5143 -5.5143 -4.8248 -4.8248 -4.8242 -4.8242 0.7649 0.7649 2.6919 2.6919 2.6941 2.6941 8.5396 8.5396 9.4045 9.4045 9.4127 9.4127 10.6535 10.6535 10.6724 10.6724 10.6997 10.6997 11.2597 11.2597 11.3781 11.3781 11.3995 11.3995 11.5233 11.5233 11.5434 11.5434 12.0934 12.0934 15.0269 15.0269 15.0446 15.0446 17.1553 17.1556 k = 0.0089 0.0089-0.0000 ( 2969 PWs) bands (ev): -72.9410 -72.9410 -41.3330 -41.3330 -29.1692 -29.1692 -29.1692 -29.1692 -12.6809 -12.6809 -5.5146 -5.5146 -4.8250 -4.8250 -4.8249 -4.8249 0.7640 0.7640 2.6917 2.6917 2.6923 2.6923 8.5450 8.5450 9.4149 9.4149 9.4169 9.4169 10.6823 10.6823 10.6891 10.6891 10.7039 10.7039 11.2892 11.2892 11.3899 11.3899 11.3972 11.3972 11.5050 11.5050 11.5108 11.5108 12.0722 12.0722 15.0202 15.0202 15.0246 15.0246 17.1463 17.1464 k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): -72.9410 -72.9410 -41.3330 -41.3330 -29.1692 -29.1692 -29.1692 -29.1692 -12.6811 -12.6811 -5.5147 -5.5147 -4.8251 -4.8251 -4.8251 -4.8251 0.7637 0.7637 2.6917 2.6917 2.6917 2.6917 8.5468 8.5468 9.4183 9.4183 9.4183 9.4183 10.6923 10.6923 10.6923 10.6923 10.7079 10.7079 11.3026 11.3026 11.3930 11.3930 11.3930 11.3930 11.4996 11.4996 11.4996 11.4996 12.0649 12.0649 15.0179 15.0179 15.0179 15.0179 17.1433 17.1433 k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): -72.9410 -72.9410 -41.3330 -41.3330 -29.1692 -29.1692 -29.1692 -29.1692 -12.6811 -12.6811 -5.5147 -5.5147 -4.8251 -4.8251 -4.8251 -4.8251 0.7637 0.7637 2.6917 2.6917 2.6917 2.6917 8.5468 8.5468 9.4183 9.4183 9.4183 9.4183 10.6923 10.6923 10.6923 10.6923 10.7079 10.7079 11.3026 11.3026 11.3930 11.3930 11.3930 11.3930 11.4996 11.4996 11.4996 11.4996 12.0649 12.0649 15.0179 15.0179 15.0179 15.0179 17.1433 17.1433 k = 0.0074 0.0074 0.0074 ( 2969 PWs) bands (ev): -72.9410 -72.9410 -41.3330 -41.3330 -29.1692 -29.1692 -29.1692 -29.1692 -12.6809 -12.6809 -5.5146 -5.5146 -4.8250 -4.8250 -4.8249 -4.8249 0.7640 0.7640 2.6917 2.6917 2.6923 2.6923 8.5450 8.5450 9.4156 9.4156 9.4161 9.4161 10.6820 10.6820 10.6890 10.6890 10.7040 10.7040 11.2888 11.2888 11.3907 11.3907 11.3967 11.3967 11.5058 11.5058 11.5103 11.5103 12.0723 12.0723 15.0224 15.0224 15.0226 15.0226 17.1464 17.1464 k = 0.0147 0.0147 0.0147 ( 2981 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1693 -29.1693 -29.1693 -29.1693 -12.6804 -12.6804 -5.5142 -5.5142 -4.8247 -4.8247 -4.8243 -4.8243 0.7649 0.7649 2.6917 2.6917 2.6943 2.6943 8.5395 8.5395 9.4073 9.4073 9.4095 9.4095 10.6525 10.6525 10.6707 10.6707 10.7014 10.7014 11.2567 11.2567 11.3843 11.3843 11.3953 11.3953 11.5276 11.5276 11.5402 11.5402 12.0937 12.0937 15.0356 15.0356 15.0366 15.0366 17.1556 17.1557 k = 0.0221 0.0221 0.0221 ( 2993 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1694 -29.1694 -29.1693 -29.1693 -12.6795 -12.6795 -5.5137 -5.5137 -4.8241 -4.8241 -4.8232 -4.8232 0.7665 0.7665 2.6918 2.6918 2.6976 2.6976 8.5303 8.5303 9.3937 9.3937 9.3984 9.3984 10.6075 10.6075 10.6363 10.6363 10.7030 10.7030 11.2151 11.2151 11.3745 11.3745 11.3814 11.3814 11.5646 11.5646 11.5854 11.5854 12.1270 12.1270 15.0575 15.0575 15.0596 15.0596 17.1710 17.1711 k = 0.0294 0.0294 0.0294 ( 2993 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1695 -29.1695 -29.1694 -29.1694 -12.6782 -12.6782 -5.5128 -5.5128 -4.8234 -4.8234 -4.8218 -4.8218 0.7686 0.7686 2.6918 2.6918 2.7023 2.7023 8.5175 8.5175 9.3746 9.3746 9.3829 9.3829 10.5509 10.5509 10.5903 10.5903 10.7063 10.7063 11.1662 11.1662 11.3592 11.3592 11.3617 11.3617 11.6111 11.6111 11.6418 11.6418 12.1698 12.1698 15.0879 15.0879 15.0917 15.0917 17.1924 17.1925 k = 0.0368 0.0368 0.0368 ( 2993 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1696 -29.1696 -29.1695 -29.1695 -12.6765 -12.6765 -5.5117 -5.5117 -4.8224 -4.8224 -4.8199 -4.8199 0.7713 0.7713 2.6918 2.6918 2.7081 2.7081 8.5012 8.5012 9.3504 9.3504 9.3630 9.3630 10.4863 10.4863 10.5356 10.5356 10.7109 10.7109 11.1098 11.1098 11.3332 11.3332 11.3462 11.3462 11.6629 11.6629 11.7060 11.7060 12.2199 12.2199 15.1264 15.1264 15.1323 15.1323 17.2198 17.2199 k = 0.0441 0.0441 0.0441 ( 2999 PWs) bands (ev): -72.9410 -72.9410 -41.3331 -41.3331 -29.1697 -29.1697 -29.1697 -29.1697 -12.6745 -12.6745 -5.5103 -5.5103 -4.8212 -4.8212 -4.8175 -4.8175 0.7745 0.7745 2.6918 2.6918 2.7153 2.7153 8.4812 8.4812 9.3210 9.3210 9.3386 9.3386 10.4163 10.4163 10.4743 10.4743 10.7165 10.7165 11.0463 11.0463 11.3058 11.3058 11.3283 11.3283 11.7181 11.7181 11.7756 11.7756 12.2755 12.2755 15.1728 15.1728 15.1809 15.1809 17.2530 17.2530 k = 0.0515 0.0515 0.0515 ( 3002 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1699 -29.1699 -29.1698 -29.1698 -12.6722 -12.6722 -5.5086 -5.5086 -4.8197 -4.8197 -4.8148 -4.8148 0.7782 0.7782 2.6917 2.6917 2.7235 2.7235 8.4578 8.4578 9.2866 9.2866 9.3099 9.3099 10.3428 10.3428 10.4081 10.4081 10.7232 10.7232 10.9760 10.9760 11.2780 11.2780 11.3084 11.3084 11.7755 11.7755 11.8488 11.8488 12.3355 12.3355 15.2265 15.2265 15.2373 15.2373 17.2918 17.2918 k = 0.0588 0.0588 0.0588 ( 3002 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1700 -29.1700 -29.1700 -29.1700 -12.6695 -12.6695 -5.5065 -5.5065 -4.8181 -4.8181 -4.8116 -4.8116 0.7823 0.7823 2.6914 2.6914 2.7330 2.7330 8.4309 8.4309 9.2475 9.2475 9.2768 9.2768 10.2673 10.2673 10.3383 10.3383 10.7310 10.7310 10.8996 10.8996 11.2503 11.2503 11.2869 11.2869 11.8344 11.8344 11.9245 11.9245 12.3989 12.3989 15.2872 15.2872 15.3008 15.3008 17.3362 17.3364 k = 0.0662 0.0662 0.0662 ( 3014 PWs) bands (ev): -72.9410 -72.9410 -41.3332 -41.3332 -29.1702 -29.1702 -29.1702 -29.1702 -12.6664 -12.6664 -5.5040 -5.5040 -4.8162 -4.8162 -4.8081 -4.8081 0.7867 0.7867 2.6910 2.6910 2.7434 2.7434 8.4007 8.4007 9.2038 9.2038 9.2394 9.2394 10.1907 10.1907 10.2660 10.2660 10.7396 10.7396 10.8179 10.8179 11.2227 11.2227 11.2642 11.2642 11.8947 11.8947 12.0017 12.0017 12.4650 12.4650 15.3544 15.3544 15.3710 15.3710 17.3860 17.3860 k = 0.0735 0.0735 0.0735 ( 3020 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1704 -29.1704 -29.1704 -29.1704 -12.6631 -12.6631 -5.5011 -5.5011 -4.8140 -4.8140 -4.8041 -4.8041 0.7914 0.7914 2.6904 2.6904 2.7548 2.7548 8.3672 8.3672 9.1558 9.1558 9.1978 9.1978 10.1138 10.1138 10.1920 10.1920 10.7314 10.7314 10.7496 10.7496 11.1954 11.1954 11.2407 11.2407 11.9561 11.9561 12.0799 12.0799 12.5333 12.5333 15.4276 15.4276 15.4473 15.4473 17.4406 17.4407 k = 0.0809 0.0809 0.0809 ( 3020 PWs) bands (ev): -72.9410 -72.9410 -41.3333 -41.3333 -29.1707 -29.1707 -29.1706 -29.1706 -12.6595 -12.6595 -5.4978 -5.4978 -4.8116 -4.8116 -4.7997 -4.7997 0.7963 0.7963 2.6895 2.6895 2.7671 2.7671 8.3305 8.3305 9.1037 9.1037 9.1520 9.1520 10.0374 10.0374 10.1169 10.1169 10.6409 10.6409 10.7602 10.7602 11.1686 11.1686 11.2169 11.2169 12.0187 12.0187 12.1587 12.1587 12.6035 12.6035 15.5064 15.5064 15.5293 15.5293 17.5001 17.5001 k = 0.0882 0.0882 0.0882 ( 3032 PWs) bands (ev): -72.9410 -72.9410 -41.3334 -41.3334 -29.1710 -29.1710 -29.1709 -29.1709 -12.6556 -12.6556 -5.4939 -5.4939 -4.8090 -4.8090 -4.7949 -4.7949 0.8013 0.8013 2.6883 2.6883 2.7802 2.7802 8.2907 8.2907 9.0477 9.0477 9.1022 9.1022 9.9618 9.9618 10.0414 10.0414 10.5470 10.5470 10.7718 10.7718 11.1423 11.1423 11.1931 11.1931 12.0824 12.0824 12.2378 12.2378 12.6750 12.6750 15.5903 15.5903 15.6163 15.6163 17.5640 17.5640 k = 0.0956 0.0956 0.0956 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3334 -41.3334 -29.1712 -29.1712 -29.1712 -29.1712 -12.6514 -12.6514 -5.4895 -5.4895 -4.8061 -4.8061 -4.7896 -4.7896 0.8063 0.8063 2.6867 2.6867 2.7940 2.7940 8.2481 8.2481 8.9883 8.9883 9.0485 9.0485 9.8875 9.8875 9.9659 9.9659 10.4502 10.4502 10.7845 10.7845 11.1168 11.1168 11.1696 11.1696 12.1473 12.1473 12.3171 12.3171 12.7479 12.7479 15.6789 15.6789 15.7082 15.7082 17.6321 17.6321 k = 0.1029 0.1029 0.1029 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3335 -41.3335 -29.1715 -29.1715 -29.1714 -29.1714 -12.6469 -12.6469 -5.4845 -5.4845 -4.8030 -4.8030 -4.7840 -4.7840 0.8113 0.8113 2.6847 2.6847 2.8083 2.8083 8.2027 8.2027 8.9256 8.9256 8.9912 8.9912 9.8148 9.8148 9.8907 9.8907 10.3508 10.3508 10.7980 10.7980 11.0922 11.0922 11.1468 11.1468 12.2135 12.2135 12.3962 12.3962 12.8217 12.8217 15.7719 15.7719 15.8042 15.8042 17.7042 17.7042 k = 0.1103 0.1103 0.1103 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3335 -41.3335 -29.1718 -29.1718 -29.1718 -29.1718 -12.6422 -12.6422 -5.4789 -5.4789 -4.7996 -4.7996 -4.7779 -4.7779 0.8161 0.8161 2.6822 2.6822 2.8230 2.8230 8.1546 8.1546 8.8600 8.8600 8.9303 8.9303 9.7440 9.7440 9.8162 9.8162 10.2495 10.2495 10.8125 10.8125 11.0686 11.0686 11.1248 11.1248 12.2809 12.2809 12.4751 12.4751 12.8963 12.8963 15.8686 15.8686 15.9041 15.9041 17.7800 17.7800 k = 0.1176 0.1176 0.1176 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3336 -41.3336 -29.1721 -29.1721 -29.1721 -29.1721 -12.6373 -12.6373 -5.4725 -5.4725 -4.7959 -4.7959 -4.7714 -4.7714 0.8206 0.8206 2.6791 2.6791 2.8380 2.8380 8.1041 8.1041 8.7918 8.7918 8.8663 8.8663 9.6752 9.6752 9.7426 9.7426 10.1466 10.1466 10.8278 10.8278 11.0463 11.0463 11.1039 11.1039 12.3496 12.3496 12.5538 12.5538 12.9716 12.9716 15.9690 15.9690 16.0073 16.0073 17.8591 17.8591 k = 0.1250 0.1250 0.1250 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3336 -41.3336 -29.1725 -29.1725 -29.1724 -29.1724 -12.6322 -12.6322 -5.4655 -5.4655 -4.7920 -4.7920 -4.7646 -4.7646 0.8249 0.8249 2.6753 2.6753 2.8530 2.8530 8.0514 8.0514 8.7213 8.7213 8.7993 8.7993 9.6086 9.6086 9.6700 9.6700 10.0426 10.0426 10.8440 10.8440 11.0254 11.0254 11.0843 11.0843 12.4196 12.4196 12.6322 12.6322 13.0474 13.0474 16.0725 16.0725 16.1137 16.1137 17.9412 17.9412 k = 0.1324 0.1324 0.1324 ( 3023 PWs) bands (ev): -72.9410 -72.9410 -41.3337 -41.3337 -29.1728 -29.1728 -29.1728 -29.1728 -12.6269 -12.6269 -5.4576 -5.4576 -4.7878 -4.7878 -4.7573 -4.7573 0.8287 0.8287 2.6709 2.6709 2.8680 2.8680 7.9966 7.9966 8.6489 8.6489 8.7297 8.7297 9.5444 9.5444 9.5987 9.5987 9.9380 9.9380 10.8610 10.8610 11.0061 11.0061 11.0660 11.0660 12.4909 12.4909 12.7103 12.7103 13.1238 13.1238 16.1789 16.1789 16.2227 16.2227 18.0261 18.0261 k = 0.1397 0.1397 0.1397 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3337 -41.3337 -29.1732 -29.1732 -29.1731 -29.1731 -12.6214 -12.6214 -5.4489 -5.4489 -4.7833 -4.7833 -4.7497 -4.7497 0.8320 0.8320 2.6657 2.6657 2.8827 2.8827 7.9400 7.9400 8.5748 8.5748 8.6577 8.6577 9.4826 9.4826 9.5286 9.5286 9.8333 9.8333 10.8788 10.8788 10.9884 10.9884 11.0493 11.0493 12.5635 12.5635 12.7880 12.7880 13.2004 13.2004 16.2878 16.2878 16.3341 16.3341 18.1134 18.1134 k = 0.1471 0.1471 0.1471 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3338 -41.3338 -29.1736 -29.1736 -29.1735 -29.1735 -12.6158 -12.6158 -5.4394 -5.4394 -4.7786 -4.7786 -4.7416 -4.7416 0.8346 0.8346 2.6597 2.6597 2.8969 2.8969 7.8818 7.8818 8.4994 8.4994 8.5838 8.5838 9.4233 9.4233 9.4596 9.4596 9.7292 9.7292 10.8973 10.8973 10.9724 10.9724 11.0342 11.0342 12.6374 12.6374 12.8653 12.8653 13.2774 13.2774 16.3991 16.3991 16.4476 16.4476 18.2028 18.2028 k = 0.1544 0.1544 0.1544 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3339 -41.3339 -29.1740 -29.1740 -29.1739 -29.1739 -12.6101 -12.6101 -5.4289 -5.4289 -4.7736 -4.7736 -4.7332 -4.7332 0.8366 0.8366 2.6529 2.6529 2.9104 2.9104 7.8224 7.8224 8.4230 8.4230 8.5081 8.5081 9.3666 9.3666 9.3916 9.3916 9.6264 9.6264 10.9164 10.9164 10.9584 10.9584 11.0207 11.0207 12.7124 12.7124 12.9422 12.9422 13.3546 13.3546 16.5123 16.5123 16.5629 16.5629 18.2940 18.2940 k = 0.1618 0.1618 0.1618 ( 3029 PWs) bands (ev): -72.9410 -72.9410 -41.3339 -41.3339 -29.1744 -29.1744 -29.1743 -29.1743 -12.6042 -12.6042 -5.4175 -5.4175 -4.7683 -4.7683 -4.7245 -4.7245 0.8378 0.8378 2.6451 2.6451 2.9230 2.9230 7.7619 7.7619 8.3459 8.3459 8.4311 8.4311 9.3124 9.3124 9.3237 9.3237 9.5260 9.5260 10.9350 10.9350 10.9475 10.9475 11.0090 11.0090 12.7885 12.7885 13.0188 13.0188 13.4320 13.4320 16.6273 16.6273 16.6797 16.6797 18.3866 18.3866 k = 0.1691 0.1691 0.1691 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3340 -41.3340 -29.1748 -29.1748 -29.1747 -29.1747 -12.5982 -12.5982 -5.4052 -5.4052 -4.7627 -4.7627 -4.7153 -4.7153 0.8382 0.8382 2.6364 2.6364 2.9345 2.9345 7.7006 7.7006 8.2683 8.2683 8.3531 8.3531 9.2551 9.2551 9.2608 9.2608 9.4296 9.4296 10.9344 10.9344 10.9584 10.9584 10.9991 10.9991 12.8655 12.8655 13.0949 13.0949 13.5095 13.5095 16.7437 16.7437 16.7978 16.7978 18.4805 18.4805 k = 0.1765 0.1765 0.1765 ( 3044 PWs) bands (ev): -72.9410 -72.9410 -41.3341 -41.3341 -29.1753 -29.1753 -29.1752 -29.1752 -12.5922 -12.5922 -5.3918 -5.3918 -4.7568 -4.7568 -4.7058 -4.7058 0.8376 0.8376 2.6267 2.6267 2.9445 2.9445 7.6389 7.6389 8.1904 8.1904 8.2742 8.2742 9.1836 9.1836 9.2118 9.2118 9.3394 9.3394 10.9264 10.9264 10.9792 10.9792 10.9910 10.9910 12.9434 12.9434 13.1705 13.1705 13.5871 13.5871 16.8614 16.8614 16.9169 16.9169 18.5752 18.5752 k = 0.1838 0.1838 0.1838 ( 3044 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1757 -29.1757 -29.1756 -29.1756 -12.5861 -12.5861 -5.3774 -5.3774 -4.7506 -4.7506 -4.6960 -4.6960 0.8361 0.8361 2.6159 2.6159 2.9530 2.9530 7.5770 7.5770 8.1126 8.1126 8.1948 8.1948 9.1074 9.1074 9.1655 9.1655 9.2579 9.2579 10.9202 10.9202 10.9848 10.9848 11.0010 11.0010 13.0221 13.0221 13.2458 13.2458 13.6647 13.6647 16.9802 16.9802 17.0368 17.0368 18.6705 18.6705 k = 0.1912 0.1912 0.1912 ( 3043 PWs) bands (ev): -72.9410 -72.9410 -41.3342 -41.3342 -29.1762 -29.1762 -29.1761 -29.1761 -12.5800 -12.5800 -5.3620 -5.3620 -4.7442 -4.7442 -4.6859 -4.6859 0.8335 0.8335 2.6041 2.6041 2.9595 2.9595 7.5151 7.5151 8.0350 8.0350 8.1151 8.1151 9.0256 9.0256 9.1217 9.1217 9.1865 9.1865 10.9159 10.9159 10.9804 10.9804 11.0234 11.0234 13.1014 13.1014 13.3206 13.3206 13.7424 13.7424 17.0999 17.0999 17.1573 17.1573 18.7660 18.7660 k = 0.1985 0.1985 0.1985 ( 3043 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1766 -29.1766 -29.1765 -29.1765 -12.5738 -12.5738 -5.3455 -5.3455 -4.7375 -4.7375 -4.6754 -4.6754 0.8298 0.8298 2.5912 2.5912 2.9639 2.9639 7.4536 7.4536 7.9577 7.9577 8.0353 8.0353 8.9395 8.9395 9.0806 9.0806 9.1240 9.1240 10.9137 10.9137 10.9779 10.9779 11.0464 11.0464 13.1812 13.1812 13.3950 13.3950 13.8199 13.8199 17.2201 17.2201 17.2781 17.2781 18.8614 18.8614 k = 0.2059 0.2059 0.2059 ( 3049 PWs) bands (ev): -72.9410 -72.9410 -41.3344 -41.3344 -29.1771 -29.1771 -29.1770 -29.1770 -12.5677 -12.5677 -5.3279 -5.3279 -4.7305 -4.7305 -4.6646 -4.6646 0.8250 0.8250 2.5772 2.5772 2.9659 2.9659 7.3926 7.3926 7.8809 7.8809 7.9556 7.9556 8.8516 8.8516 9.0420 9.0420 9.0687 9.0687 10.9135 10.9135 10.9773 10.9773 11.0698 11.0698 13.2613 13.2613 13.4689 13.4689 13.8974 13.8974 17.3408 17.3408 17.3991 17.3991 18.9564 18.9564 k = 0.2132 0.2132 0.2132 ( 3043 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1775 -29.1775 -29.1774 -29.1774 -12.5615 -12.5615 -5.3093 -5.3093 -4.7232 -4.7232 -4.6536 -4.6536 0.8191 0.8191 2.5621 2.5621 2.9653 2.9653 7.3324 7.3324 7.8047 7.8047 7.8763 7.8763 8.7640 8.7640 9.0061 9.0061 9.0186 9.0186 10.9154 10.9154 10.9787 10.9787 11.0937 11.0937 13.3417 13.3417 13.5423 13.5423 13.9747 13.9747 17.4616 17.4616 17.5200 17.5200 19.0505 19.0505 k = 0.2206 0.2206 0.2206 ( 3043 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1780 -29.1780 -29.1779 -29.1779 -12.5554 -12.5554 -5.2896 -5.2896 -4.7156 -4.7156 -4.6422 -4.6422 0.8119 0.8119 2.5460 2.5460 2.9620 2.9620 7.2731 7.2731 7.7292 7.7292 7.7975 7.7975 8.6782 8.6782 8.9726 8.9726 8.9729 8.9729 10.9195 10.9195 10.9819 10.9819 11.1179 11.1179 13.4221 13.4221 13.6152 13.6152 14.0517 14.0517 17.5825 17.5825 17.6405 17.6405 19.1434 19.1434 k = 0.2279 0.2279 0.2279 ( 3040 PWs) bands (ev): -72.9410 -72.9410 -41.3346 -41.3346 -29.1785 -29.1785 -29.1784 -29.1784 -12.5493 -12.5493 -5.2689 -5.2689 -4.7077 -4.7077 -4.6307 -4.6307 0.8036 0.8036 2.5288 2.5288 2.9556 2.9556 7.2148 7.2148 7.6544 7.6544 7.7193 7.7193 8.5953 8.5953 8.9307 8.9307 8.9417 8.9417 10.9256 10.9256 10.9871 10.9871 11.1425 11.1425 13.5023 13.5023 13.6875 13.6875 14.1284 14.1284 17.7032 17.7032 17.7606 17.7606 19.2346 19.2346 k = 0.2353 0.2353 0.2353 ( 3046 PWs) bands (ev): -72.9410 -72.9410 -41.3347 -41.3347 -29.1790 -29.1790 -29.1789 -29.1789 -12.5432 -12.5432 -5.2471 -5.2471 -4.6996 -4.6996 -4.6189 -4.6189 0.7941 0.7941 2.5106 2.5106 2.9462 2.9462 7.1576 7.1576 7.5803 7.5803 7.6418 7.6418 8.5163 8.5163 8.8917 8.8917 8.9132 8.9132 10.9338 10.9338 10.9942 10.9942 11.1674 11.1674 13.5823 13.5823 13.7591 13.7591 14.2047 14.2047 17.8233 17.8233 17.8797 17.8797 19.3236 19.3236 k = 0.2426 0.2426 0.2426 ( 3049 PWs) bands (ev): -72.9410 -72.9410 -41.3348 -41.3348 -29.1795 -29.1795 -29.1794 -29.1794 -12.5372 -12.5372 -5.2244 -5.2244 -4.6912 -4.6912 -4.6068 -4.6068 0.7834 0.7834 2.4914 2.4914 2.9335 2.9335 7.1014 7.1014 7.5070 7.5070 7.5653 7.5653 8.4419 8.4419 8.8556 8.8556 8.8870 8.8870 10.9440 10.9440 11.0032 11.0032 11.1925 11.1925 13.6619 13.6619 13.8302 13.8302 14.2805 14.2805 17.9428 17.9428 17.9980 17.9980 19.4098 19.4098 k = 0.2500 0.2500 0.2500 ( 3031 PWs) bands (ev): -72.9410 -72.9410 -41.3348 -41.3348 -29.1799 -29.1799 -29.1798 -29.1798 -12.5313 -12.5313 -5.2007 -5.2007 -4.6825 -4.6825 -4.5946 -4.5946 0.7715 0.7715 2.4713 2.4713 2.9175 2.9175 7.0462 7.0462 7.4344 7.4344 7.4899 7.4899 8.3728 8.3728 8.8223 8.8223 8.8632 8.8632 10.9564 10.9564 11.0142 11.0142 11.2178 11.2178 13.7409 13.7409 13.9006 13.9006 14.3558 14.3558 18.0614 18.0614 18.1149 18.1149 19.4924 19.4924 k = 0.2574 0.2574 0.2574 ( 3037 PWs) bands (ev): -72.9410 -72.9410 -41.3349 -41.3349 -29.1804 -29.1804 -29.1803 -29.1803 -12.5255 -12.5255 -5.1761 -5.1761 -4.6736 -4.6736 -4.5822 -4.5822 0.7585 0.7585 2.4503 2.4503 2.8983 2.8983 6.9917 6.9917 7.3625 7.3625 7.4156 7.4156 8.3095 8.3095 8.7915 8.7915 8.8416 8.8416 10.9707 10.9707 11.0270 11.0270 11.2433 11.2433 13.8193 13.8193 13.9702 13.9702 14.4303 14.4303 18.1787 18.1787 18.2302 18.2302 19.5706 19.5706 k = 0.2647 0.2647 0.2647 ( 3037 PWs) bands (ev): -72.9410 -72.9410 -41.3350 -41.3350 -29.1809 -29.1809 -29.1808 -29.1808 -12.5198 -12.5198 -5.1506 -5.1506 -4.6644 -4.6644 -4.5697 -4.5697 0.7443 0.7443 2.4284 2.4284 2.8757 2.8757 6.9380 6.9380 7.2913 7.2913 7.3425 7.3425 8.2526 8.2526 8.7631 8.7631 8.8221 8.8221 10.9870 10.9870 11.0417 11.0417 11.2688 11.2688 13.8968 13.8968 14.0390 14.0390 14.5041 14.5041 18.2946 18.2946 18.3436 18.3436 19.6434 19.6434 k = 0.2721 0.2721 0.2721 ( 3025 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1813 -29.1813 -29.1813 -29.1813 -12.5141 -12.5141 -5.1243 -5.1243 -4.6550 -4.6550 -4.5570 -4.5570 0.7291 0.7291 2.4059 2.4059 2.8499 2.8499 6.8847 6.8847 7.2209 7.2209 7.2709 7.2709 8.2026 8.2026 8.7371 8.7371 8.8047 8.8047 11.0052 11.0052 11.0582 11.0582 11.2943 11.2943 13.9734 13.9734 14.1069 14.1069 14.5771 14.5771 18.4086 18.4086 18.4546 18.4546 19.7099 19.7099 k = 0.2794 0.2794 0.2794 ( 3025 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1818 -29.1818 -29.1817 -29.1817 -12.5086 -12.5086 -5.0973 -5.0973 -4.6453 -4.6453 -4.5443 -4.5443 0.7128 0.7128 2.3826 2.3826 2.8210 2.8210 6.8317 6.8317 7.1513 7.1513 7.2006 7.2006 8.1597 8.1597 8.7132 8.7132 8.7891 8.7891 11.0254 11.0254 11.0766 11.0766 11.3199 11.3199 14.0489 14.0489 14.1738 14.1738 14.6491 14.6491 18.5202 18.5202 18.5628 18.5628 19.7687 19.7687 k = 0.2868 0.2868 0.2868 ( 3028 PWs) bands (ev): -72.9409 -72.9409 -41.3352 -41.3352 -29.1823 -29.1823 -29.1822 -29.1822 -12.5033 -12.5033 -5.0696 -5.0696 -4.6353 -4.6353 -4.5315 -4.5315 0.6955 0.6955 2.3588 2.3588 2.7892 2.7892 6.7788 6.7788 7.0827 7.0827 7.1319 7.1319 8.1242 8.1242 8.6914 8.6914 8.7754 8.7754 11.0473 11.0473 11.0966 11.0966 11.3453 11.3453 14.1231 14.1231 14.2397 14.2397 14.7200 14.7200 18.6289 18.6289 18.6675 18.6675 19.8191 19.8191 k = 0.2941 0.2941 0.2941 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3353 -41.3353 -29.1828 -29.1828 -29.1827 -29.1827 -12.4980 -12.4980 -5.0415 -5.0415 -4.6251 -4.6251 -4.5187 -4.5187 0.6773 0.6773 2.3345 2.3345 2.7547 2.7547 6.7256 6.7256 7.0151 7.0151 7.0649 7.0649 8.0961 8.0961 8.6717 8.6717 8.7634 8.7634 11.0709 11.0709 11.1184 11.1184 11.3706 11.3706 14.1959 14.1959 14.3045 14.3045 14.7896 14.7896 18.7341 18.7341 18.7680 18.7680 19.8332 19.8332 k = 0.3015 0.3015 0.3015 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1832 -29.1832 -29.1831 -29.1831 -12.4929 -12.4929 -5.0128 -5.0128 -4.6146 -4.6146 -4.5059 -4.5059 0.6583 0.6583 2.3098 2.3098 2.7177 2.7177 6.6722 6.6722 6.9491 6.9491 6.9995 6.9995 8.0753 8.0753 8.6538 8.6538 8.7529 8.7529 11.0963 11.0963 11.1418 11.1418 11.3957 11.3957 14.2674 14.2674 14.3682 14.3682 14.8580 14.8580 18.8348 18.8348 18.8633 18.8633 19.8138 19.8138 k = 0.3088 0.3088 0.3088 ( 3046 PWs) bands (ev): -72.9409 -72.9409 -41.3355 -41.3355 -29.1837 -29.1837 -29.1836 -29.1836 -12.4879 -12.4879 -4.9839 -4.9839 -4.6038 -4.6038 -4.4931 -4.4931 0.6385 0.6385 2.2847 2.2847 2.6785 2.6785 6.6184 6.6184 6.8846 6.8846 6.9359 6.9359 8.0615 8.0615 8.6378 8.6378 8.7439 8.7439 11.1232 11.1232 11.1668 11.1668 11.4206 11.4206 14.3373 14.3373 14.4305 14.4305 14.9251 14.9251 18.9299 18.9299 18.9522 18.9522 19.7878 19.7878 k = 0.3162 0.3162 0.3162 ( 3046 PWs) bands (ev): -72.9409 -72.9409 -41.3356 -41.3356 -29.1841 -29.1841 -29.1840 -29.1840 -12.4831 -12.4831 -4.9547 -4.9547 -4.5927 -4.5927 -4.4803 -4.4803 0.6181 0.6181 2.2595 2.2595 2.6374 2.6374 6.5639 6.5639 6.8221 6.8221 6.8742 6.8742 8.0545 8.0545 8.6235 8.6235 8.7363 8.7363 11.1515 11.1515 11.1932 11.1932 11.4452 11.4452 14.4055 14.4055 14.4916 14.4916 14.9906 14.9906 19.0176 19.0176 19.0328 19.0328 19.7562 19.7562 k = 0.3235 0.3235 0.3235 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3356 -41.3356 -29.1845 -29.1845 -29.1845 -29.1845 -12.4784 -12.4784 -4.9255 -4.9255 -4.5813 -4.5813 -4.4677 -4.4677 0.5970 0.5970 2.2342 2.2342 2.5946 2.5946 6.5090 6.5090 6.7618 6.7618 6.8144 6.8144 8.0538 8.0538 8.6109 8.6109 8.7299 8.7299 11.1813 11.1813 11.2210 11.2210 11.4693 11.4693 14.4720 14.4720 14.5511 14.5511 15.0546 15.0546 19.0954 19.0954 19.1029 19.1029 19.7195 19.7195 k = 0.3309 0.3309 0.3309 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3357 -41.3357 -29.1850 -29.1850 -29.1849 -29.1849 -12.4739 -12.4739 -4.8964 -4.8964 -4.5695 -4.5695 -4.4552 -4.4552 0.5754 0.5754 2.2089 2.2089 2.5507 2.5507 6.4535 6.4535 6.7041 6.7041 6.7566 6.7566 8.0589 8.0589 8.6000 8.6000 8.7247 8.7247 11.2122 11.2122 11.2500 11.2500 11.4931 11.4931 14.5366 14.5366 14.6092 14.6092 15.1169 15.1169 19.1600 19.1600 19.1602 19.1602 19.6778 19.6778 k = 0.3382 0.3382 0.3382 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3358 -41.3358 -29.1854 -29.1854 -29.1853 -29.1853 -12.4696 -12.4696 -4.8676 -4.8676 -4.5574 -4.5574 -4.4428 -4.4428 0.5534 0.5534 2.1837 2.1837 2.5058 2.5058 6.3976 6.3976 6.6489 6.6489 6.7008 6.7008 8.0692 8.0692 8.5905 8.5905 8.7204 8.7204 11.2442 11.2442 11.2801 11.2801 11.5164 11.5164 14.5993 14.5993 14.6657 14.6657 15.1774 15.1774 19.2014 19.2014 19.2082 19.2082 19.6314 19.6314 k = 0.3456 0.3456 0.3456 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3358 -41.3358 -29.1858 -29.1858 -29.1857 -29.1857 -12.4654 -12.4654 -4.8393 -4.8393 -4.5449 -4.5449 -4.4307 -4.4307 0.5311 0.5311 2.1588 2.1588 2.4603 2.4603 6.3416 6.3416 6.5966 6.5966 6.6471 6.6471 8.0841 8.0841 8.5826 8.5826 8.7171 8.7171 11.2771 11.2771 11.3112 11.3112 11.5391 11.5391 14.6599 14.6599 14.7204 14.7204 15.2360 15.2360 19.2253 19.2253 19.2361 19.2361 19.5807 19.5807 k = 0.3529 0.3529 0.3529 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3359 -41.3359 -29.1862 -29.1862 -29.1861 -29.1861 -12.4614 -12.4614 -4.8116 -4.8116 -4.5319 -4.5319 -4.4188 -4.4188 0.5086 0.5086 2.1341 2.1341 2.4145 2.4145 6.2857 6.2857 6.5469 6.5469 6.5956 6.5956 8.1028 8.1028 8.5762 8.5762 8.7145 8.7145 11.3107 11.3107 11.3430 11.3430 11.5612 11.5612 14.7184 14.7184 14.7733 14.7733 15.2927 15.2927 19.2314 19.2314 19.2426 19.2426 19.5262 19.5262 k = 0.3603 0.3603 0.3603 ( 3046 PWs) bands (ev): -72.9409 -72.9409 -41.3360 -41.3360 -29.1865 -29.1865 -29.1865 -29.1865 -12.4576 -12.4576 -4.7849 -4.7849 -4.5184 -4.5184 -4.4072 -4.4072 0.4861 0.4861 2.1099 2.1099 2.3689 2.3689 6.2303 6.2303 6.5001 6.5001 6.5462 6.5462 8.1247 8.1247 8.5713 8.5713 8.7125 8.7125 11.3449 11.3449 11.3755 11.3755 11.5827 11.5827 14.7747 14.7747 14.8243 14.8243 15.3473 15.3473 19.2213 19.2213 19.2291 19.2291 19.4681 19.4681 k = 0.3676 0.3676 0.3676 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3360 -41.3360 -29.1869 -29.1869 -29.1869 -29.1869 -12.4540 -12.4540 -4.7592 -4.7592 -4.5043 -4.5043 -4.3959 -4.3959 0.4636 0.4636 2.0863 2.0863 2.3236 2.3236 6.1758 6.1758 6.4559 6.4559 6.4992 6.4992 8.1490 8.1490 8.5679 8.5679 8.7113 8.7113 11.3795 11.3795 11.4084 11.4084 11.6035 11.6035 14.8288 14.8288 14.8734 14.8734 15.3999 15.3999 19.1979 19.1979 19.1996 19.1996 19.4071 19.4071 k = 0.3750 0.3750 0.3750 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3361 -41.3361 -29.1872 -29.1872 -29.1872 -29.1872 -12.4505 -12.4505 -4.7348 -4.7348 -4.4896 -4.4896 -4.3849 -4.3849 0.4412 0.4412 2.0633 2.0633 2.2791 2.2791 6.1225 6.1225 6.4144 6.4144 6.4544 6.4544 8.1752 8.1752 8.5662 8.5662 8.7105 8.7105 11.4142 11.4142 11.4415 11.4415 11.6235 11.6235 14.8804 14.8804 14.9204 14.9204 15.4502 15.4502 19.1581 19.1581 19.1643 19.1643 19.3437 19.3437 k = 0.3824 0.3824 0.3824 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3361 -41.3361 -29.1876 -29.1876 -29.1875 -29.1875 -12.4472 -12.4472 -4.7120 -4.7120 -4.4744 -4.4744 -4.3744 -4.3744 0.4192 0.4192 2.0410 2.0410 2.2356 2.2356 6.0707 6.0707 6.3754 6.3754 6.4119 6.4119 8.2022 8.2022 8.5662 8.5662 8.7101 8.7101 11.4488 11.4488 11.4745 11.4745 11.6426 11.6426 14.9296 14.9296 14.9652 14.9652 15.4982 15.4982 19.1087 19.1087 19.1233 19.1233 19.2785 19.2785 k = 0.3897 0.3897 0.3897 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3362 -41.3362 -29.1879 -29.1879 -29.1878 -29.1878 -12.4441 -12.4441 -4.6907 -4.6907 -4.4586 -4.4586 -4.3642 -4.3642 0.3975 0.3975 2.0196 2.0196 2.1933 2.1933 6.0207 6.0207 6.3390 6.3390 6.3719 6.3719 8.2295 8.2295 8.5680 8.5680 8.7102 8.7102 11.4831 11.4831 11.5074 11.5074 11.6610 11.6610 14.9763 14.9763 15.0078 15.0078 15.5439 15.5439 19.0543 19.0543 19.0774 19.0774 19.2122 19.2122 k = 0.3971 0.3971 0.3971 ( 3034 PWs) bands (ev): -72.9409 -72.9409 -41.3362 -41.3362 -29.1881 -29.1881 -29.1881 -29.1881 -12.4412 -12.4412 -4.6711 -4.6711 -4.4424 -4.4424 -4.3545 -4.3545 0.3764 0.3764 1.9990 1.9990 2.1526 2.1526 5.9729 5.9729 6.3049 6.3049 6.3342 6.3342 8.2562 8.2562 8.5719 8.5719 8.7105 8.7105 11.5169 11.5169 11.5398 11.5398 11.6784 11.6784 15.0203 15.0203 15.0480 15.0480 15.5872 15.5872 18.9971 18.9971 19.0285 19.0285 19.1456 19.1456 k = 0.4044 0.4044 0.4044 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3363 -41.3363 -29.1884 -29.1884 -29.1884 -29.1884 -12.4385 -12.4385 -4.6533 -4.6533 -4.4258 -4.4258 -4.3453 -4.3453 0.3560 0.3560 1.9795 1.9795 2.1137 2.1137 5.9274 5.9274 6.2733 6.2733 6.2990 6.2990 8.2816 8.2816 8.5779 8.5779 8.7110 8.7110 11.5498 11.5498 11.5714 11.5714 11.6948 11.6948 15.0618 15.0618 15.0858 15.0858 15.6279 15.6279 18.9389 18.9389 18.9783 18.9783 19.0795 19.0795 k = 0.4118 0.4118 0.4118 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3363 -41.3363 -29.1887 -29.1887 -29.1887 -29.1887 -12.4360 -12.4360 -4.6373 -4.6373 -4.4092 -4.4092 -4.3367 -4.3367 0.3364 0.3364 1.9611 1.9611 2.0767 2.0767 5.8846 5.8846 6.2440 6.2440 6.2662 6.2662 8.3049 8.3049 8.5861 8.5861 8.7117 8.7117 11.5816 11.5816 11.6020 11.6020 11.7103 11.7103 15.1005 15.1005 15.1212 15.1212 15.6660 15.6660 18.8809 18.8809 18.9280 18.9280 19.0146 19.0146 k = 0.4191 0.4191 0.4191 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1890 -29.1890 -29.1890 -29.1890 -12.4337 -12.4337 -4.6230 -4.6230 -4.3926 -4.3926 -4.3286 -4.3286 0.3177 0.3177 1.9439 1.9439 2.0420 2.0420 5.8445 5.8445 6.2171 6.2171 6.2360 6.2360 8.3257 8.3257 8.5967 8.5967 8.7125 8.7125 11.6122 11.6122 11.6315 11.6315 11.7247 11.7247 15.1364 15.1364 15.1540 15.1540 15.7015 15.7015 18.8242 18.8242 18.8786 18.8786 18.9518 18.9518 k = 0.4265 0.4265 0.4265 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1892 -29.1892 -29.1892 -29.1892 -12.4316 -12.4316 -4.6103 -4.6103 -4.3763 -4.3763 -4.3211 -4.3211 0.3001 0.3001 1.9279 1.9279 2.0098 2.0098 5.8074 5.8074 6.1925 6.1925 6.2083 6.2083 8.3437 8.3437 8.6093 8.6093 8.7134 8.7134 11.6411 11.6411 11.6595 11.6595 11.7380 11.7380 15.1695 15.1695 15.1842 15.1842 15.7342 15.7342 18.7696 18.7696 18.8310 18.8310 18.8919 18.8919 k = 0.4338 0.4338 0.4338 ( 3055 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1894 -29.1894 -29.1894 -29.1894 -12.4296 -12.4296 -4.5992 -4.5992 -4.3607 -4.3607 -4.3142 -4.3142 0.2837 0.2837 1.9132 1.9132 1.9801 1.9801 5.7735 5.7735 6.1702 6.1702 6.1832 6.1832 8.3587 8.3587 8.6236 8.6236 8.7143 8.7143 11.6682 11.6682 11.6857 11.6857 11.7502 11.7502 15.1996 15.1996 15.2117 15.2117 15.7642 15.7642 18.7179 18.7179 18.7859 18.7859 18.8354 18.8354 k = 0.4412 0.4412 0.4412 ( 3061 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1896 -29.1896 -29.1896 -29.1896 -12.4279 -12.4279 -4.5895 -4.5895 -4.3460 -4.3460 -4.3079 -4.3079 0.2687 0.2687 1.8999 1.8999 1.9531 1.9531 5.7427 5.7427 6.1503 6.1503 6.1606 6.1606 8.3709 8.3709 8.6388 8.6388 8.7152 8.7152 11.6931 11.6931 11.7099 11.7099 11.7613 11.7613 15.2268 15.2268 15.2365 15.2365 15.7912 15.7912 18.6697 18.6697 18.7440 18.7440 18.7832 18.7832 k = 0.4485 0.4485 0.4485 ( 3061 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1898 -29.1898 -29.1897 -29.1897 -12.4264 -12.4264 -4.5812 -4.5812 -4.3323 -4.3323 -4.3024 -4.3024 0.2551 0.2551 1.8880 1.8880 1.9290 1.9290 5.7154 5.7154 6.1327 6.1327 6.1407 6.1407 8.3807 8.3807 8.6544 8.6544 8.7161 8.7161 11.7157 11.7157 11.7319 11.7319 11.7712 11.7712 15.2510 15.2510 15.2585 15.2585 15.8152 15.8152 18.6256 18.6256 18.7058 18.7058 18.7359 18.7359 k = 0.4559 0.4559 0.4559 ( 3061 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1899 -29.1899 -29.1899 -29.1899 -12.4250 -12.4250 -4.5741 -4.5741 -4.3201 -4.3201 -4.2975 -4.2975 0.2431 0.2431 1.8776 1.8776 1.9079 1.9079 5.6915 5.6915 6.1175 6.1175 6.1233 6.1233 8.3883 8.3883 8.6696 8.6696 8.7169 8.7169 11.7356 11.7356 11.7515 11.7515 11.7801 11.7801 15.2721 15.2721 15.2776 15.2776 15.8363 15.8363 18.5861 18.5861 18.6718 18.6718 18.6938 18.6938 k = 0.4632 0.4632 0.4632 ( 3061 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1900 -29.1900 -29.1900 -29.1900 -12.4239 -12.4239 -4.5682 -4.5682 -4.3093 -4.3093 -4.2933 -4.2933 0.2327 0.2327 1.8687 1.8687 1.8898 1.8898 5.6711 5.6711 6.1046 6.1046 6.1087 6.1087 8.3942 8.3942 8.6836 8.6836 8.7176 8.7176 11.7526 11.7526 11.7684 11.7684 11.7878 11.7878 15.2900 15.2900 15.2939 15.2939 15.8542 15.8542 18.5517 18.5517 18.6423 18.6423 18.6576 18.6576 k = 0.4706 0.4706 0.4706 ( 3061 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1901 -29.1901 -29.1901 -29.1901 -12.4230 -12.4230 -4.5635 -4.5635 -4.3003 -4.3003 -4.2899 -4.2899 0.2241 0.2241 1.8614 1.8614 1.8749 1.8749 5.6543 5.6543 6.0940 6.0940 6.0966 6.0966 8.3987 8.3987 8.6958 8.6958 8.7182 8.7182 11.7665 11.7665 11.7825 11.7825 11.7945 11.7945 15.3047 15.3047 15.3073 15.3073 15.8690 15.8690 18.5229 18.5229 18.6177 18.6177 18.6275 18.6275 k = 0.4779 0.4779 0.4779 ( 3061 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4223 -12.4223 -4.5599 -4.5599 -4.2932 -4.2932 -4.2872 -4.2872 0.2174 0.2174 1.8557 1.8557 1.8633 1.8633 5.6413 5.6413 6.0858 6.0858 6.0873 6.0873 8.4019 8.4019 8.7059 8.7059 8.7187 8.7187 11.7771 11.7771 11.7937 11.7937 11.8000 11.8000 15.3163 15.3163 15.3177 15.3177 15.8805 15.8805 18.5001 18.5001 18.5984 18.5984 18.6038 18.6038 k = 0.4853 0.4853 0.4853 ( 3061 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4218 -12.4218 -4.5573 -4.5573 -4.2880 -4.2880 -4.2853 -4.2853 0.2125 0.2125 1.8516 1.8516 1.8550 1.8550 5.6319 5.6319 6.0799 6.0799 6.0806 6.0806 8.4040 8.4040 8.7133 8.7133 8.7191 8.7191 11.7844 11.7844 11.8017 11.8017 11.8044 11.8044 15.3245 15.3245 15.3252 15.3252 15.8888 15.8888 18.4835 18.4835 18.5844 18.5844 18.5868 18.5868 k = 0.4926 0.4926 0.4926 ( 3034 PWs) bands (ev): -72.9408 -72.9408 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4214 -12.4214 -4.5558 -4.5558 -4.2848 -4.2848 -4.2841 -4.2841 0.2095 0.2095 1.8491 1.8491 1.8499 1.8499 5.6263 5.6263 6.0764 6.0764 6.0766 6.0766 8.4053 8.4053 8.7179 8.7179 8.7194 8.7194 11.7886 11.7886 11.8066 11.8066 11.8073 11.8073 15.3296 15.3296 15.3298 15.3298 15.8939 15.8939 18.4735 18.4735 18.5759 18.5759 18.5765 18.5765 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): -72.9408 -72.9408 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4213 -12.4213 -4.5552 -4.5552 -4.2837 -4.2837 -4.2837 -4.2837 0.2085 0.2085 1.8483 1.8483 1.8483 1.8483 5.6245 5.6245 6.0753 6.0753 6.0753 6.0753 8.4058 8.4058 8.7195 8.7195 8.7195 8.7195 11.7900 11.7900 11.8083 11.8083 11.8083 11.8083 15.3313 15.3313 15.3313 15.3313 15.8956 15.8956 18.4701 18.4701 18.5731 18.5731 18.5731 18.5731 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): -72.9408 -72.9408 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4213 -12.4213 -4.5552 -4.5552 -4.2837 -4.2837 -4.2837 -4.2837 0.2085 0.2085 1.8483 1.8483 1.8483 1.8483 5.6245 5.6245 6.0753 6.0753 6.0753 6.0753 8.4058 8.4058 8.7195 8.7195 8.7195 8.7195 11.7900 11.7900 11.8083 11.8083 11.8083 11.8083 15.3313 15.3313 15.3313 15.3313 15.8956 15.8956 18.4701 18.4701 18.5731 18.5731 18.5731 18.5731 k = 0.4911 0.5000 0.4911 ( 3040 PWs) bands (ev): -72.9408 -72.9408 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4214 -12.4214 -4.5558 -4.5558 -4.2848 -4.2848 -4.2841 -4.2841 0.2095 0.2095 1.8491 1.8491 1.8499 1.8499 5.6262 5.6262 6.0758 6.0758 6.0771 6.0771 8.4053 8.4053 8.7179 8.7179 8.7193 8.7193 11.7886 11.7886 11.8066 11.8066 11.8074 11.8074 15.3294 15.3294 15.3299 15.3299 15.8939 15.8939 18.4734 18.4734 18.5755 18.5755 18.5768 18.5768 k = 0.4821 0.5000 0.4821 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4218 -12.4218 -4.5573 -4.5573 -4.2880 -4.2880 -4.2852 -4.2852 0.2124 0.2124 1.8517 1.8517 1.8547 1.8547 5.6317 5.6317 6.0777 6.0777 6.0827 6.0827 8.4041 8.4041 8.7135 8.7135 8.7190 8.7190 11.7844 11.7844 11.8016 11.8016 11.8049 11.8049 15.3240 15.3240 15.3259 15.3259 15.8890 15.8890 18.4832 18.4832 18.5827 18.5827 18.5881 18.5881 k = 0.4732 0.5000 0.4732 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1902 -29.1902 -29.1901 -29.1901 -12.4223 -12.4223 -4.5598 -4.5598 -4.2932 -4.2932 -4.2869 -4.2869 0.2172 0.2172 1.8560 1.8560 1.8626 1.8626 5.6407 5.6407 6.0809 6.0809 6.0921 6.0921 8.4019 8.4019 8.7062 8.7062 8.7186 8.7186 11.7769 11.7769 11.7935 11.7935 11.8012 11.8012 15.3151 15.3151 15.3194 15.3194 15.8809 15.8809 18.4990 18.4990 18.5949 18.5949 18.6069 18.6069 k = 0.4643 0.5000 0.4643 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1902 -29.1902 -29.1900 -29.1900 -12.4230 -12.4230 -4.5634 -4.5634 -4.3005 -4.3005 -4.2893 -4.2893 0.2239 0.2239 1.8619 1.8619 1.8737 1.8737 5.6531 5.6531 6.0856 6.0856 6.1051 6.1051 8.3987 8.3987 8.6964 8.6964 8.7180 8.7180 11.7656 11.7656 11.7825 11.7825 11.7965 11.7965 15.3027 15.3027 15.3104 15.3104 15.8696 15.8696 18.5204 18.5204 18.6118 18.6118 18.6334 18.6334 k = 0.4554 0.5000 0.4554 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1901 -29.1901 -29.1898 -29.1898 -12.4239 -12.4239 -4.5681 -4.5681 -4.3096 -4.3096 -4.2924 -4.2924 0.2324 0.2324 1.8696 1.8696 1.8879 1.8879 5.6685 5.6685 6.0920 6.0920 6.1219 6.1219 8.3943 8.3943 8.6843 8.6843 8.7173 8.7173 11.7504 11.7504 11.7691 11.7691 11.7911 11.7911 15.2868 15.2868 15.2988 15.2988 15.8553 15.8553 18.5467 18.5467 18.6338 18.6338 18.6673 18.6673 k = 0.4464 0.5000 0.4464 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1901 -29.1901 -29.1897 -29.1897 -12.4250 -12.4250 -4.5739 -4.5739 -4.3204 -4.3204 -4.2961 -4.2961 0.2426 0.2426 1.8789 1.8789 1.9051 1.9051 5.6864 5.6864 6.1006 6.1006 6.1424 6.1424 8.3883 8.3883 8.6704 8.6704 8.7165 8.7165 11.7314 11.7314 11.7535 11.7535 11.7848 11.7848 15.2675 15.2675 15.2848 15.2848 15.8381 15.8381 18.5769 18.5769 18.6607 18.6607 18.7087 18.7087 k = 0.4375 0.5000 0.4375 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1900 -29.1900 -29.1894 -29.1894 -12.4263 -12.4263 -4.5809 -4.5809 -4.3328 -4.3328 -4.3004 -4.3004 0.2545 0.2545 1.8898 1.8898 1.9252 1.9252 5.7064 5.7064 6.1118 6.1118 6.1665 6.1665 8.3805 8.3805 8.6554 8.6554 8.7156 8.7156 11.7087 11.7087 11.7359 11.7359 11.7774 11.7774 15.2447 15.2447 15.2684 15.2684 15.8180 15.8180 18.6103 18.6103 18.6928 18.6928 18.7572 18.7572 k = 0.4286 0.5000 0.4286 ( 3060 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1900 -29.1900 -29.1892 -29.1892 -12.4277 -12.4277 -4.5893 -4.5893 -4.3466 -4.3466 -4.3052 -4.3052 0.2680 0.2680 1.9023 1.9023 1.9482 1.9482 5.7278 5.7278 6.1261 6.1261 6.1943 6.1943 8.3702 8.3702 8.6398 8.6398 8.7147 8.7147 11.6827 11.6827 11.7165 11.7165 11.7691 11.7691 15.2187 15.2187 15.2498 15.2498 15.7953 15.7953 18.6461 18.6461 18.7301 18.7301 18.8122 18.8122 k = 0.4196 0.5000 0.4196 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1899 -29.1899 -29.1889 -29.1889 -12.4294 -12.4294 -4.5990 -4.5990 -4.3615 -4.3615 -4.3105 -4.3105 0.2830 0.2830 1.9163 1.9163 1.9738 1.9738 5.7497 5.7497 6.1442 6.1442 6.2257 6.2257 8.3571 8.3571 8.6245 8.6245 8.7138 8.7138 11.6537 11.6537 11.6956 11.6956 11.7595 11.7595 15.1894 15.1894 15.2291 15.2291 15.7701 15.7701 18.6836 18.6836 18.7725 18.7725 18.8730 18.8730 k = 0.4107 0.5000 0.4107 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1898 -29.1898 -29.1886 -29.1886 -12.4313 -12.4313 -4.6104 -4.6104 -4.3771 -4.3771 -4.3162 -4.3162 0.2993 0.2993 1.9319 1.9319 2.0020 2.0020 5.7714 5.7714 6.1668 6.1668 6.2607 6.2607 8.3406 8.3406 8.6104 8.6104 8.7130 8.7130 11.6217 11.6217 11.6733 11.6733 11.7488 11.7488 15.1568 15.1568 15.2063 15.2063 15.7426 15.7426 18.7223 18.7223 18.8196 18.8196 18.9390 18.9390 k = 0.4018 0.5000 0.4018 ( 3056 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1898 -29.1898 -29.1882 -29.1882 -12.4333 -12.4333 -4.6235 -4.6235 -4.3934 -4.3934 -4.3224 -4.3224 0.3169 0.3169 1.9489 1.9489 2.0327 2.0327 5.7921 5.7921 6.1945 6.1945 6.2993 6.2993 8.3203 8.3203 8.5981 8.5981 8.7124 8.7124 11.5871 11.5871 11.6500 11.6500 11.7369 11.7369 15.1211 15.1211 15.1816 15.1816 15.7129 15.7129 18.7616 18.7616 18.8711 18.8711 19.0092 19.0092 k = 0.3929 0.5000 0.3929 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3363 -41.3363 -29.1896 -29.1896 -29.1879 -29.1879 -12.4355 -12.4355 -4.6385 -4.6385 -4.4098 -4.4098 -4.3288 -4.3288 0.3357 0.3357 1.9673 1.9673 2.0655 2.0655 5.8110 5.8110 6.2279 6.2279 6.3414 6.3414 8.2963 8.2963 8.5882 8.5882 8.7120 8.7120 11.5503 11.5503 11.6258 11.6258 11.7236 11.7236 15.0823 15.0823 15.1552 15.1552 15.6813 15.6813 18.8010 18.8010 18.9262 18.9262 19.0827 19.0827 k = 0.3839 0.5000 0.3839 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3363 -41.3363 -29.1895 -29.1895 -29.1875 -29.1875 -12.4379 -12.4379 -4.6554 -4.6554 -4.4261 -4.4261 -4.3355 -4.3355 0.3555 0.3555 1.9871 1.9871 2.1005 2.1005 5.8278 5.8278 6.2671 6.2671 6.3871 6.3871 8.2686 8.2686 8.5809 8.5809 8.7119 8.7119 11.5113 11.5113 11.6008 11.6008 11.7089 11.7089 15.0405 15.0405 15.1272 15.1272 15.6479 15.6479 18.8395 18.8395 18.9844 18.9844 19.1588 19.1588 k = 0.3750 0.5000 0.3750 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3362 -41.3362 -29.1894 -29.1894 -29.1870 -29.1870 -12.4404 -12.4404 -4.6746 -4.6746 -4.4422 -4.4422 -4.3424 -4.3424 0.3761 0.3761 2.0081 2.0081 2.1373 2.1373 5.8423 5.8423 6.3120 6.3120 6.4364 6.4364 8.2376 8.2376 8.5762 8.5762 8.7122 8.7122 11.4704 11.4704 11.5753 11.5753 11.6927 11.6927 14.9955 14.9955 15.0978 15.0978 15.6129 15.6129 18.8758 18.8758 19.0448 19.0448 19.2363 19.2363 k = 0.3661 0.5000 0.3661 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3362 -41.3362 -29.1893 -29.1893 -29.1866 -29.1866 -12.4431 -12.4431 -4.6959 -4.6959 -4.4576 -4.4576 -4.3494 -4.3494 0.3976 0.3976 2.0304 2.0304 2.1757 2.1757 5.8544 5.8544 6.3623 6.3623 6.4893 6.4893 8.2040 8.2040 8.5740 8.5740 8.7130 8.7130 11.4279 11.4279 11.5494 11.5494 11.6751 11.6751 14.9476 14.9476 15.0670 15.0670 15.5765 15.5765 18.9081 18.9081 19.1065 19.1065 19.3145 19.3145 k = 0.3571 0.5000 0.3571 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3361 -41.3361 -29.1892 -29.1892 -29.1861 -29.1861 -12.4460 -12.4460 -4.7193 -4.7193 -4.4724 -4.4724 -4.3564 -4.3564 0.4197 0.4197 2.0538 2.0538 2.2156 2.2156 5.8646 5.8646 6.4175 6.4175 6.5458 6.5458 8.1685 8.1685 8.5742 8.5742 8.7145 8.7145 11.3841 11.3841 11.5232 11.5232 11.6558 11.6558 14.8968 14.8968 15.0352 15.0352 15.5390 15.5390 18.9337 18.9337 19.1685 19.1685 19.3924 19.3924 k = 0.3482 0.5000 0.3482 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3361 -41.3361 -29.1891 -29.1891 -29.1856 -29.1856 -12.4489 -12.4489 -4.7448 -4.7448 -4.4865 -4.4865 -4.3633 -4.3633 0.4424 0.4424 2.0783 2.0783 2.2565 2.2565 5.8729 5.8729 6.4770 6.4770 6.6060 6.6060 8.1319 8.1319 8.5765 8.5765 8.7167 8.7167 11.3391 11.3391 11.4968 11.4968 11.6350 11.6350 14.8430 14.8430 15.0025 15.0025 15.5005 15.5005 18.9489 18.9489 19.2297 19.2297 19.4690 19.4690 k = 0.3393 0.5000 0.3393 ( 3032 PWs) bands (ev): -72.9409 -72.9409 -41.3360 -41.3360 -29.1889 -29.1889 -29.1851 -29.1851 -12.4521 -12.4521 -4.7722 -4.7722 -4.4999 -4.4999 -4.3701 -4.3701 0.4655 0.4655 2.1038 2.1038 2.2983 2.2983 5.8798 5.8798 6.5399 6.5399 6.6701 6.6701 8.0947 8.0947 8.5806 8.5806 8.7198 8.7198 11.2934 11.2934 11.4702 11.4702 11.6124 11.6124 14.7863 14.7863 14.9690 14.9690 15.4614 15.4614 18.9494 18.9494 19.2883 19.2883 19.5434 19.5434 k = 0.3304 0.5000 0.3304 ( 3032 PWs) bands (ev): -72.9409 -72.9409 -41.3360 -41.3360 -29.1888 -29.1888 -29.1846 -29.1846 -12.4553 -12.4553 -4.8013 -4.8013 -4.5127 -4.5127 -4.3766 -4.3766 0.4889 0.4889 2.1302 2.1302 2.3407 2.3407 5.8855 5.8855 6.6058 6.6058 6.7379 6.7379 8.0578 8.0578 8.5865 8.5865 8.7241 8.7241 11.2470 11.2470 11.4435 11.4435 11.5880 11.5880 14.7268 14.7268 14.9351 14.9351 15.4217 15.4217 18.9306 18.9306 19.3427 19.3427 19.6149 19.6149 k = 0.3214 0.5000 0.3214 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3359 -41.3359 -29.1886 -29.1886 -29.1840 -29.1840 -12.4587 -12.4587 -4.8319 -4.8319 -4.5248 -4.5248 -4.3827 -4.3827 0.5125 0.5125 2.1575 2.1575 2.3834 2.3834 5.8902 5.8902 6.6738 6.6738 6.8094 6.8094 8.0218 8.0218 8.5938 8.5938 8.7298 8.7298 11.2001 11.2001 11.4166 11.4166 11.5618 11.5618 14.6643 14.6643 14.9007 14.9007 15.3816 15.3816 18.8897 18.8897 19.3903 19.3903 19.6824 19.6824 k = 0.3125 0.5000 0.3125 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3359 -41.3359 -29.1885 -29.1885 -29.1835 -29.1835 -12.4621 -12.4621 -4.8638 -4.8638 -4.5365 -4.5365 -4.3885 -4.3885 0.5362 0.5362 2.1854 2.1854 2.4261 2.4261 5.8942 5.8942 6.7436 6.7436 6.8847 6.8847 7.9874 7.9874 8.6023 8.6023 8.7373 8.7373 11.1532 11.1532 11.3896 11.3896 11.5336 11.5336 14.5992 14.5992 14.8662 14.8662 15.3416 15.3416 18.8268 18.8268 19.4285 19.4285 19.7451 19.7451 k = 0.3036 0.5000 0.3036 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3358 -41.3358 -29.1884 -29.1884 -29.1829 -29.1829 -12.4657 -12.4657 -4.8967 -4.8967 -4.5479 -4.5479 -4.3937 -4.3937 0.5599 0.5599 2.2141 2.2141 2.4684 2.4684 5.8976 5.8976 6.8147 6.8147 6.9635 6.9635 7.9551 7.9551 8.6119 8.6119 8.7469 8.7469 11.1064 11.1064 11.3624 11.3624 11.5036 11.5036 14.5313 14.5313 14.8317 14.8317 15.3016 15.3016 18.7445 18.7445 19.4543 19.4543 19.8009 19.8009 k = 0.2946 0.5000 0.2946 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3357 -41.3357 -29.1882 -29.1882 -29.1823 -29.1823 -12.4694 -12.4694 -4.9304 -4.9304 -4.5590 -4.5590 -4.3984 -4.3984 0.5835 0.5835 2.2433 2.2433 2.5100 2.5100 5.9006 5.9006 6.8868 6.8868 7.0454 7.0454 7.9256 7.9256 8.6222 8.6222 8.7591 8.7591 11.0600 11.0600 11.3348 11.3348 11.4715 11.4715 14.4606 14.4606 14.7975 14.7975 15.2620 15.2620 18.6466 18.6466 19.4653 19.4653 19.8473 19.8473 k = 0.2857 0.5000 0.2857 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3357 -41.3357 -29.1881 -29.1881 -29.1817 -29.1817 -12.4731 -12.4731 -4.9647 -4.9647 -4.5698 -4.5698 -4.4024 -4.4024 0.6068 0.6068 2.2729 2.2729 2.5507 2.5507 5.9033 5.9033 6.9596 6.9596 7.1301 7.1301 7.8994 7.8994 8.6330 8.6330 8.7743 8.7743 11.0142 11.0142 11.3069 11.3069 11.4374 11.4374 14.3873 14.3873 14.7636 14.7636 15.2228 15.2228 18.5367 18.5367 19.4601 19.4601 19.8897 19.8897 k = 0.2768 0.5000 0.2768 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3356 -41.3356 -29.1879 -29.1879 -29.1811 -29.1811 -12.4769 -12.4769 -4.9994 -4.9994 -4.5805 -4.5805 -4.4057 -4.4057 0.6299 0.6299 2.3029 2.3029 2.5902 2.5902 5.9058 5.9058 7.0329 7.0329 7.2172 7.2172 7.8771 7.8771 8.6441 8.6441 8.7930 8.7930 10.9691 10.9691 11.2786 11.2786 11.4013 11.4013 14.3114 14.3114 14.7303 14.7303 15.1845 15.1845 18.4177 18.4177 19.4388 19.4388 19.9308 19.9308 k = 0.2679 0.5000 0.2679 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3356 -41.3356 -29.1877 -29.1877 -29.1805 -29.1805 -12.4807 -12.4807 -5.0344 -5.0344 -4.5911 -4.5911 -4.4084 -4.4084 0.6526 0.6526 2.3332 2.3332 2.6281 2.6281 5.9082 5.9082 7.1065 7.1065 7.3061 7.3061 7.8592 7.8592 8.6552 8.6552 8.8156 8.8156 10.9252 10.9252 11.2496 11.2496 11.3631 11.3631 14.2330 14.2330 14.6978 14.6978 15.1469 15.1469 18.2920 18.2920 19.4030 19.4030 19.9672 19.9672 k = 0.2589 0.5000 0.2589 ( 3050 PWs) bands (ev): -72.9409 -72.9409 -41.3355 -41.3355 -29.1876 -29.1876 -29.1799 -29.1799 -12.4846 -12.4846 -5.0695 -5.0695 -4.6017 -4.6017 -4.4102 -4.4102 0.6748 0.6748 2.3636 2.3636 2.6642 2.6642 5.9105 5.9105 7.1802 7.1802 7.3964 7.3964 7.8463 7.8463 8.6664 8.6664 8.8424 8.8424 10.8826 10.8826 11.2199 11.2199 11.3228 11.3228 14.1522 14.1522 14.6662 14.6662 15.1105 15.1105 18.1610 18.1610 19.3548 19.3548 19.9963 19.9963 k = 0.2500 0.5000 0.2500 ( 3050 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1874 -29.1874 -29.1793 -29.1793 -12.4885 -12.4885 -5.1045 -5.1045 -4.6122 -4.6122 -4.4114 -4.4114 0.6964 0.6964 2.3941 2.3941 2.6983 2.6983 5.9129 5.9129 7.2536 7.2536 7.4875 7.4875 7.8387 7.8387 8.6777 8.6777 8.8736 8.8736 10.8415 10.8415 11.1895 11.1895 11.2806 11.2806 14.0691 14.0691 14.6356 14.6356 15.0752 15.0752 18.0261 18.0261 19.2963 19.2963 20.0176 20.0176 k = 0.2411 0.5000 0.2411 ( 3050 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1873 -29.1873 -29.1787 -29.1787 -12.4925 -12.4925 -5.1393 -5.1393 -4.6226 -4.6226 -4.4117 -4.4117 0.7174 0.7174 2.4245 2.4245 2.7301 2.7301 5.9154 5.9154 7.3264 7.3264 7.5790 7.5790 7.8370 7.8370 8.6892 8.6892 8.9095 8.9095 10.8023 10.8023 11.1580 11.1580 11.2364 11.2364 13.9837 13.9837 14.6062 14.6062 15.0412 15.0412 17.8884 17.8884 19.2296 19.2296 20.0305 20.0305 k = 0.2321 0.5000 0.2321 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3353 -41.3353 -29.1871 -29.1871 -29.1780 -29.1780 -12.4964 -12.4964 -5.1737 -5.1737 -4.6329 -4.6329 -4.4114 -4.4114 0.7377 0.7377 2.4548 2.4548 2.7595 2.7595 5.9179 5.9179 7.3982 7.3982 7.6702 7.6702 7.8417 7.8417 8.7010 8.7010 8.9502 8.9502 10.7651 10.7651 11.1255 11.1255 11.1903 11.1903 13.8964 13.8964 14.5781 14.5781 15.0087 15.0087 17.7485 17.7485 19.1562 19.1562 20.0331 20.0331 k = 0.2232 0.5000 0.2232 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3352 -41.3352 -29.1869 -29.1869 -29.1774 -29.1774 -12.5003 -12.5003 -5.2077 -5.2077 -4.6432 -4.6432 -4.4103 -4.4103 0.7572 0.7572 2.4848 2.4848 2.7864 2.7864 5.9206 5.9206 7.4685 7.4685 7.7605 7.7605 7.8532 7.8532 8.7133 8.7133 8.9956 8.9956 10.7302 10.7302 11.0916 11.0916 11.1425 11.1425 13.8071 13.8071 14.5514 14.5514 14.9776 14.9776 17.6071 17.6071 19.0775 19.0775 20.0184 20.0184 k = 0.2143 0.5000 0.2143 ( 3042 PWs) bands (ev): -72.9409 -72.9409 -41.3352 -41.3352 -29.1868 -29.1868 -29.1768 -29.1768 -12.5042 -12.5042 -5.2412 -5.2412 -4.6534 -4.6534 -4.4085 -4.4085 0.7759 0.7759 2.5144 2.5144 2.8106 2.8106 5.9235 5.9235 7.5370 7.5370 7.8479 7.8479 7.8735 7.8735 8.7263 8.7263 9.0460 9.0460 10.6978 10.6978 11.0561 11.0561 11.0932 11.0932 13.7160 13.7160 14.5261 14.5261 14.9482 14.9482 17.4648 17.4648 18.9946 18.9946 19.9777 19.9777 k = 0.2054 0.5000 0.2054 ( 3014 PWs) bands (ev): -72.9409 -72.9409 -41.3351 -41.3351 -29.1866 -29.1866 -29.1762 -29.1762 -12.5081 -12.5081 -5.2739 -5.2739 -4.6634 -4.6634 -4.4061 -4.4061 0.7937 0.7937 2.5435 2.5435 2.8322 2.8322 5.9265 5.9265 7.6031 7.6031 7.8946 7.8946 7.9400 7.9400 8.7400 8.7400 9.1015 9.1015 10.6684 10.6684 11.0185 11.0185 11.0430 11.0430 13.6233 13.6233 14.5025 14.5025 14.9204 14.9204 17.3222 17.3222 18.9083 18.9083 19.9198 19.9198 k = 0.1964 0.5000 0.1964 ( 3014 PWs) bands (ev): -72.9409 -72.9409 -41.3350 -41.3350 -29.1864 -29.1864 -29.1756 -29.1756 -12.5119 -12.5119 -5.3060 -5.3060 -4.6732 -4.6732 -4.4031 -4.4031 0.8106 0.8106 2.5721 2.5721 2.8512 2.8512 5.9297 5.9297 7.6667 7.6667 7.9278 7.9278 8.0250 8.0250 8.7545 8.7545 9.1618 9.1618 10.6420 10.6420 10.9767 10.9767 10.9937 10.9937 13.5292 13.5292 14.4805 14.4805 14.8942 14.8942 17.1796 17.1796 18.8194 18.8194 19.8569 19.8569 k = 0.1875 0.5000 0.1875 ( 3018 PWs) bands (ev): -72.9409 -72.9409 -41.3350 -41.3350 -29.1863 -29.1863 -29.1750 -29.1750 -12.5157 -12.5157 -5.3371 -5.3371 -4.6829 -4.6829 -4.3996 -4.3996 0.8265 0.8265 2.5999 2.5999 2.8676 2.8676 5.9331 5.9331 7.7278 7.7278 7.9672 7.9672 8.1080 8.1080 8.7700 8.7700 9.2271 9.2271 10.6189 10.6189 10.9279 10.9279 10.9485 10.9485 13.4338 13.4338 14.4601 14.4601 14.8697 14.8697 17.0375 17.0375 18.7285 18.7285 19.7936 19.7936 k = 0.1786 0.5000 0.1786 ( 3018 PWs) bands (ev): -72.9409 -72.9409 -41.3349 -41.3349 -29.1862 -29.1862 -29.1744 -29.1744 -12.5194 -12.5194 -5.3673 -5.3673 -4.6923 -4.6923 -4.3956 -4.3956 0.8414 0.8414 2.6269 2.6269 2.8816 2.8816 5.9366 5.9366 7.7868 7.7868 8.0123 8.0123 8.1883 8.1883 8.7865 8.7865 9.2972 9.2972 10.5994 10.5994 10.8740 10.8740 10.9052 10.9052 13.3373 13.3373 14.4413 14.4413 14.8468 14.8468 16.8965 16.8965 18.6363 18.6363 19.7317 19.7317 k = 0.1696 0.5000 0.1696 ( 3018 PWs) bands (ev): -72.9409 -72.9409 -41.3348 -41.3348 -29.1860 -29.1860 -29.1739 -29.1739 -12.5230 -12.5230 -5.3966 -5.3966 -4.7015 -4.7015 -4.3912 -4.3912 0.8552 0.8552 2.6530 2.6530 2.8934 2.8934 5.9403 5.9403 7.8444 7.8444 8.0621 8.0621 8.2656 8.2656 8.8041 8.8041 9.3717 9.3717 10.5837 10.5837 10.8181 10.8181 10.8612 10.8612 13.2400 13.2400 14.4243 14.4243 14.8256 14.8256 16.7570 16.7570 18.5434 18.5434 19.6717 19.6717 k = 0.1607 0.5000 0.1607 ( 3018 PWs) bands (ev): -72.9409 -72.9409 -41.3348 -41.3348 -29.1859 -29.1859 -29.1734 -29.1734 -12.5265 -12.5265 -5.4247 -5.4247 -4.7104 -4.7104 -4.3864 -4.3864 0.8680 0.8680 2.6780 2.6780 2.9031 2.9031 5.9441 5.9441 7.9015 7.9015 8.1153 8.1153 8.3394 8.3394 8.8227 8.8227 9.4503 9.4503 10.5721 10.5721 10.7610 10.7610 10.8156 10.8156 13.1420 13.1420 14.4089 14.4089 14.8059 14.8059 16.6195 16.6195 18.4504 18.4504 19.6140 19.6140 k = 0.1518 0.5000 0.1518 ( 3016 PWs) bands (ev): -72.9409 -72.9409 -41.3347 -41.3347 -29.1857 -29.1857 -29.1728 -29.1728 -12.5299 -12.5299 -5.4516 -5.4516 -4.7190 -4.7190 -4.3813 -4.3813 0.8798 0.8798 2.7019 2.7019 2.9109 2.9109 5.9480 5.9480 7.9586 7.9586 8.1709 8.1709 8.4096 8.4096 8.8426 8.8426 9.5326 9.5326 10.5646 10.5646 10.7032 10.7032 10.7681 10.7681 13.0436 13.0436 14.3951 14.3951 14.7877 14.7877 16.4845 16.4845 18.3577 18.3577 19.5588 19.5588 k = 0.1429 0.5000 0.1429 ( 3008 PWs) bands (ev): -72.9409 -72.9409 -41.3347 -41.3347 -29.1856 -29.1856 -29.1723 -29.1723 -12.5331 -12.5331 -5.4774 -5.4774 -4.7272 -4.7272 -4.3760 -4.3760 0.8905 0.8905 2.7244 2.7244 2.9172 2.9172 5.9520 5.9520 8.0159 8.0159 8.2281 8.2281 8.4760 8.4760 8.8636 8.8636 9.6180 9.6180 10.5613 10.5613 10.6450 10.6450 10.7189 10.7189 12.9451 12.9451 14.3830 14.3830 14.7708 14.7708 16.3525 16.3525 18.2661 18.2661 19.5063 19.5063 k = 0.1339 0.5000 0.1339 ( 3012 PWs) bands (ev): -72.9409 -72.9409 -41.3346 -41.3346 -29.1855 -29.1855 -29.1719 -29.1719 -12.5363 -12.5363 -5.5018 -5.5018 -4.7351 -4.7351 -4.3706 -4.3706 0.9002 0.9002 2.7454 2.7454 2.9223 2.9223 5.9561 5.9561 8.0733 8.0733 8.2864 8.2864 8.5385 8.5385 8.8856 8.8856 9.7060 9.7060 10.5613 10.5613 10.5875 10.5875 10.6678 10.6678 12.8465 12.8465 14.3723 14.3723 14.7551 14.7551 16.2240 16.2240 18.1760 18.1760 19.4564 19.4564 k = 0.1250 0.5000 0.1250 ( 3012 PWs) bands (ev): -72.9409 -72.9409 -41.3346 -41.3346 -29.1854 -29.1854 -29.1714 -29.1714 -12.5393 -12.5393 -5.5249 -5.5249 -4.7425 -4.7425 -4.3651 -4.3651 0.9089 0.9089 2.7648 2.7648 2.9264 2.9264 5.9601 5.9601 8.1304 8.1304 8.3457 8.3457 8.5969 8.5969 8.9088 8.9088 9.7959 9.7959 10.5266 10.5266 10.5684 10.5684 10.6157 10.6157 12.7483 12.7483 14.3631 14.3631 14.7405 14.7405 16.0997 16.0997 18.0880 18.0880 19.4094 19.4094 k = 0.1161 0.5000 0.1161 ( 3016 PWs) bands (ev): -72.9410 -72.9410 -41.3345 -41.3345 -29.1853 -29.1853 -29.1710 -29.1710 -12.5421 -12.5421 -5.5467 -5.5467 -4.7496 -4.7496 -4.3596 -4.3596 0.9167 0.9167 2.7824 2.7824 2.9299 2.9299 5.9641 5.9641 8.1864 8.1864 8.4061 8.4061 8.6512 8.6512 8.9332 8.9332 9.8869 9.8869 10.4691 10.4691 10.5548 10.5548 10.5836 10.5836 12.6507 12.6507 14.3552 14.3552 14.7267 14.7267 15.9802 15.9802 18.0027 18.0027 19.3653 19.3653 k = 0.1071 0.5000 0.1071 ( 3012 PWs) bands (ev): -72.9409 -72.9409 -41.3345 -41.3345 -29.1851 -29.1851 -29.1706 -29.1706 -12.5448 -12.5448 -5.5670 -5.5670 -4.7562 -4.7562 -4.3542 -4.3542 0.9235 0.9235 2.7979 2.7979 2.9332 2.9332 5.9681 5.9681 8.2404 8.2404 8.4679 8.4679 8.7013 8.7013 8.9586 8.9586 9.9782 9.9782 10.4119 10.4119 10.5009 10.5009 10.5946 10.5946 12.5539 12.5539 14.3485 14.3485 14.7136 14.7136 15.8662 15.8662 17.9207 17.9207 19.3241 19.3241 k = 0.0982 0.5000 0.0982 ( 3006 PWs) bands (ev): -72.9409 -72.9409 -41.3345 -41.3345 -29.1850 -29.1850 -29.1702 -29.1702 -12.5473 -12.5473 -5.5858 -5.5858 -4.7623 -4.7623 -4.3488 -4.3488 0.9294 0.9294 2.8113 2.8113 2.9366 2.9366 5.9719 5.9719 8.2915 8.2915 8.5311 8.5311 8.7473 8.7473 8.9851 8.9851 10.0685 10.0685 10.3557 10.3557 10.4441 10.4441 10.6116 10.6116 12.4582 12.4582 14.3430 14.3430 14.7010 14.7010 15.7586 15.7586 17.8425 17.8425 19.2860 19.2860 k = 0.0893 0.5000 0.0893 ( 3018 PWs) bands (ev): -72.9410 -72.9410 -41.3344 -41.3344 -29.1850 -29.1850 -29.1699 -29.1699 -12.5496 -12.5496 -5.6031 -5.6031 -4.7680 -4.7680 -4.3437 -4.3437 0.9345 0.9345 2.8225 2.8225 2.9403 2.9403 5.9756 5.9756 8.3388 8.3388 8.5957 8.5957 8.7892 8.7892 9.0126 9.0126 10.1551 10.1551 10.3011 10.3011 10.3882 10.3882 10.6318 10.6318 12.3641 12.3641 14.3384 14.3384 14.6885 14.6885 15.6580 15.6580 17.7686 17.7686 19.2510 19.2510 k = 0.0804 0.5000 0.0804 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3344 -41.3344 -29.1849 -29.1849 -29.1696 -29.1696 -12.5517 -12.5517 -5.6189 -5.6189 -4.7732 -4.7732 -4.3389 -4.3389 0.9389 0.9389 2.8313 2.8313 2.9445 2.9445 5.9790 5.9790 8.3818 8.3818 8.6614 8.6614 8.8269 8.8269 9.0413 9.0413 10.2234 10.2234 10.2505 10.2505 10.3458 10.3458 10.6546 10.6546 12.2720 12.2720 14.3348 14.3348 14.6762 14.6762 15.5652 15.5652 17.6997 17.6997 19.2191 19.2191 k = 0.0714 0.5000 0.0714 ( 3010 PWs) bands (ev): -72.9410 -72.9410 -41.3344 -41.3344 -29.1848 -29.1848 -29.1693 -29.1693 -12.5536 -12.5536 -5.6331 -5.6331 -4.7779 -4.7779 -4.3344 -4.3344 0.9426 0.9426 2.8380 2.8380 2.9492 2.9492 5.9823 5.9823 8.4203 8.4203 8.7271 8.7271 8.8607 8.8607 9.0712 9.0712 10.1951 10.1951 10.2276 10.2276 10.3713 10.3713 10.6791 10.6791 12.1823 12.1823 14.3320 14.3320 14.6637 14.6637 15.4811 15.4811 17.6364 17.6364 19.1905 19.1905 k = 0.0625 0.5000 0.0625 ( 3002 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1847 -29.1847 -29.1690 -29.1690 -12.5553 -12.5553 -5.6457 -5.6457 -4.7821 -4.7821 -4.3303 -4.3303 0.9456 0.9456 2.8429 2.8429 2.9541 2.9541 5.9852 5.9852 8.4540 8.4540 8.7914 8.7914 8.8907 8.8907 9.1024 9.1024 10.1472 10.1472 10.1763 10.1763 10.4439 10.4439 10.7047 10.7047 12.0958 12.0958 14.3298 14.3298 14.6511 14.6511 15.4063 15.4063 17.5790 17.5790 19.1651 19.1651 k = 0.0536 0.5000 0.0536 ( 3006 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1847 -29.1847 -29.1688 -29.1688 -12.5568 -12.5568 -5.6566 -5.6566 -4.7857 -4.7857 -4.3266 -4.3266 0.9481 0.9481 2.8462 2.8462 2.9591 2.9591 5.9879 5.9879 8.4830 8.4830 8.8520 8.8520 8.9175 8.9175 9.1351 9.1351 10.1002 10.1002 10.1194 10.1194 10.5203 10.5203 10.7309 10.7309 12.0132 12.0132 14.3281 14.3281 14.6384 14.6384 15.3414 15.3414 17.5282 17.5282 19.1429 19.1429 k = 0.0446 0.5000 0.0446 ( 3008 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1686 -29.1686 -12.5581 -12.5581 -5.6660 -5.6660 -4.7888 -4.7888 -4.3234 -4.3234 0.9501 0.9501 2.8483 2.8483 2.9638 2.9638 5.9902 5.9902 8.5074 8.5074 8.9047 8.9047 8.9434 8.9434 9.1694 9.1694 10.0485 10.0485 10.0711 10.0711 10.5916 10.5916 10.7575 10.7575 11.9358 11.9358 14.3269 14.3269 14.6260 14.6260 15.2867 15.2867 17.4843 17.4843 19.1241 19.1241 k = 0.0357 0.5000 0.0357 ( 3008 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1685 -29.1685 -12.5591 -12.5591 -5.6736 -5.6736 -4.7913 -4.7913 -4.3207 -4.3207 0.9516 0.9516 2.8496 2.8496 2.9681 2.9681 5.9921 5.9921 8.5271 8.5271 8.9401 8.9401 8.9752 8.9752 9.2048 9.2048 9.9926 9.9926 10.0344 10.0344 10.6534 10.6534 10.7850 10.7850 11.8655 11.8655 14.3260 14.3260 14.6143 14.6143 15.2425 15.2425 17.4478 17.4478 19.1087 19.1087 k = 0.0268 0.5000 0.0268 ( 3008 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1683 -29.1683 -12.5599 -12.5599 -5.6796 -5.6796 -4.7933 -4.7933 -4.3186 -4.3186 0.9528 0.9528 2.8503 2.8503 2.9716 2.9716 5.9936 5.9936 8.5424 8.5424 8.9589 8.9589 9.0103 9.0103 9.2400 9.2400 9.9404 9.9404 10.0056 10.0056 10.7011 10.7011 10.8140 10.8140 11.8048 11.8048 14.3254 14.3254 14.6040 14.6040 15.2086 15.2086 17.4190 17.4190 19.0967 19.0967 k = 0.0179 0.5000 0.0179 ( 3018 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1683 -29.1683 -12.5605 -12.5605 -5.6838 -5.6838 -4.7947 -4.7947 -4.3171 -4.3171 0.9536 0.9536 2.8507 2.8507 2.9742 2.9742 5.9947 5.9947 8.5532 8.5532 8.9701 8.9701 9.0381 9.0381 9.2716 9.2716 9.8969 9.8969 9.9843 9.9843 10.7326 10.7326 10.8424 10.8424 11.7569 11.7569 14.3249 14.3249 14.5959 14.5959 15.1846 15.1846 17.3983 17.3983 19.0881 19.0881 k = 0.0089 0.5000 0.0089 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1682 -29.1682 -12.5609 -12.5609 -5.6864 -5.6864 -4.7955 -4.7955 -4.3162 -4.3162 0.9540 0.9540 2.8509 2.8509 2.9758 2.9758 5.9953 5.9953 8.5596 8.5596 8.9764 8.9764 9.0551 9.0551 9.2943 9.2943 9.8673 9.8673 9.9711 9.9711 10.7496 10.7496 10.8639 10.8639 11.7258 11.7258 14.3247 14.3247 14.5908 14.5908 15.1704 15.1704 17.3857 17.3857 19.0829 19.0829 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): -72.9410 -72.9410 -41.3343 -41.3343 -29.1846 -29.1846 -29.1682 -29.1682 -12.5610 -12.5610 -5.6873 -5.6873 -4.7958 -4.7958 -4.3158 -4.3158 0.9542 0.9542 2.8510 2.8510 2.9764 2.9764 5.9955 5.9955 8.5618 8.5618 8.9785 8.9785 9.0609 9.0609 9.3026 9.3026 9.8567 9.8567 9.9667 9.9667 10.7550 10.7550 10.8720 10.8720 11.7150 11.7150 14.3246 14.3246 14.5890 14.5890 15.1657 15.1657 17.3815 17.3815 19.0812 19.0812 k = 0.5000 0.5000-0.0000 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1915 -29.1915 -29.1753 -29.1753 -12.4846 -12.4846 -5.1509 -5.1509 -4.6029 -4.6029 -4.4493 -4.4493 0.8584 0.8584 2.6042 2.6042 2.9641 2.9641 5.7478 5.7478 6.0533 6.0533 7.1260 7.1260 8.3550 8.3550 8.4717 8.4717 9.5169 9.5169 10.8555 10.8555 10.9703 10.9703 11.7337 11.7337 14.2307 14.2307 14.5596 14.5596 15.2661 15.2661 16.0778 16.0778 19.7672 19.7672 20.2234 20.2234 k = 0.5000 0.5000 0.0125 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1915 -29.1915 -29.1753 -29.1753 -12.4845 -12.4845 -5.1499 -5.1499 -4.6026 -4.6026 -4.4491 -4.4491 0.8573 0.8573 2.6028 2.6028 2.9618 2.9618 5.7479 5.7479 6.0533 6.0533 7.1289 7.1289 8.3560 8.3560 8.4721 8.4721 9.5086 9.5086 10.8566 10.8566 10.9710 10.9710 11.7338 11.7338 14.2328 14.2328 14.5609 14.5609 15.2668 15.2668 16.0867 16.0867 19.7656 19.7656 20.2252 20.2252 k = 0.5000 0.5000 0.0250 ( 3040 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1915 -29.1915 -29.1753 -29.1753 -12.4842 -12.4842 -5.1468 -5.1468 -4.6019 -4.6019 -4.4484 -4.4484 0.8541 0.8541 2.5989 2.5989 2.9549 2.9549 5.7480 5.7480 6.0535 6.0535 7.1376 7.1376 8.3589 8.3589 8.4729 8.4729 9.4837 9.4837 10.8599 10.8599 10.9728 10.9728 11.7341 11.7341 14.2390 14.2390 14.5645 14.5645 15.2689 15.2689 16.1135 16.1135 19.7609 19.7609 20.2304 20.2304 k = 0.5000 0.5000 0.0375 ( 3032 PWs) bands (ev): -72.9409 -72.9409 -41.3354 -41.3354 -29.1914 -29.1914 -29.1754 -29.1754 -12.4838 -12.4838 -5.1418 -5.1418 -4.6007 -4.6007 -4.4472 -4.4472 0.8489 0.8489 2.5924 2.5924 2.9434 2.9434 5.7483 5.7483 6.0539 6.0539 7.1519 7.1519 8.3637 8.3637 8.4743 8.4743 9.4429 9.4429 10.8654 10.8654 10.9760 10.9760 11.7346 11.7346 14.2492 14.2492 14.5706 14.5706 15.2723 15.2723 16.1575 16.1575 19.7531 19.7531 20.2390 20.2390 k = 0.5000 0.5000 0.0500 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3355 -41.3355 -29.1914 -29.1914 -29.1756 -29.1756 -12.4831 -12.4831 -5.1347 -5.1347 -4.5990 -4.5990 -4.4455 -4.4455 0.8415 0.8415 2.5833 2.5833 2.9277 2.9277 5.7487 5.7487 6.0543 6.0543 7.1717 7.1717 8.3701 8.3701 8.4762 8.4762 9.3871 9.3871 10.8731 10.8731 10.9805 10.9805 11.7354 11.7354 14.2629 14.2629 14.5790 14.5790 15.2771 15.2771 16.2181 16.2181 19.7423 19.7423 20.2512 20.2512 k = 0.5000 0.5000 0.0625 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3355 -41.3355 -29.1914 -29.1914 -29.1758 -29.1758 -12.4822 -12.4822 -5.1257 -5.1257 -4.5969 -4.5969 -4.4434 -4.4434 0.8322 0.8322 2.5718 2.5718 2.9078 2.9078 5.7492 5.7492 6.0548 6.0548 7.1967 7.1967 8.3781 8.3781 8.4786 8.4786 9.3174 9.3174 10.8829 10.8829 10.9863 10.9863 11.7363 11.7363 14.2801 14.2801 14.5897 14.5897 15.2832 15.2832 16.2943 16.2943 19.7288 19.7288 20.2668 20.2668 k = 0.5000 0.5000 0.0750 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3355 -41.3355 -29.1914 -29.1914 -29.1761 -29.1761 -12.4812 -12.4812 -5.1149 -5.1149 -4.5943 -4.5943 -4.4409 -4.4409 0.8209 0.8209 2.5579 2.5579 2.8841 2.8841 5.7498 5.7498 6.0554 6.0554 7.2266 7.2266 8.3874 8.3874 8.4814 8.4814 9.2352 9.2352 10.8950 10.8950 10.9937 10.9937 11.7374 11.7374 14.3002 14.3002 14.6026 14.6026 15.2906 15.2906 16.3850 16.3850 19.7129 19.7129 20.2858 20.2858 k = 0.5000 0.5000 0.0875 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3355 -41.3355 -29.1914 -29.1914 -29.1764 -29.1764 -12.4800 -12.4800 -5.1021 -5.1021 -4.5913 -4.5913 -4.4379 -4.4379 0.8078 0.8078 2.5418 2.5418 2.8568 2.8568 5.7505 5.7505 6.0560 6.0560 7.2612 7.2612 8.3977 8.3977 8.4846 8.4846 9.1422 9.1422 10.9092 10.9092 11.0026 11.0026 11.7387 11.7387 14.3233 14.3233 14.6178 14.6178 15.2993 15.2993 16.4887 16.4887 19.6947 19.6947 20.3083 20.3083 k = 0.5000 0.5000 0.1000 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3355 -41.3355 -29.1914 -29.1914 -29.1767 -29.1767 -12.4787 -12.4787 -5.0876 -5.0876 -4.5877 -4.5877 -4.4345 -4.4345 0.7929 0.7929 2.5236 2.5236 2.8262 2.8262 5.7513 5.7513 6.0567 6.0567 7.2999 7.2999 8.4085 8.4085 8.4881 8.4881 9.0400 9.0400 10.9257 10.9257 11.0131 11.0131 11.7401 11.7401 14.3486 14.3486 14.6351 14.6351 15.3093 15.3093 16.6041 16.6041 19.6747 19.6747 20.3342 20.3342 k = 0.5000 0.5000 0.1125 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3356 -41.3356 -29.1913 -29.1913 -29.1770 -29.1770 -12.4771 -12.4771 -5.0713 -5.0713 -4.5838 -4.5838 -4.4307 -4.4307 0.7764 0.7764 2.5035 2.5035 2.7928 2.7928 5.7521 5.7521 6.0574 6.0574 7.3425 7.3425 8.4190 8.4190 8.4918 8.4918 8.9308 8.9308 10.9443 10.9443 11.0253 11.0253 11.7418 11.7418 14.3763 14.3763 14.6543 14.6543 15.3206 15.3206 16.7295 16.7295 19.6532 19.6532 20.3633 20.3633 k = 0.5000 0.5000 0.1250 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3356 -41.3356 -29.1913 -29.1913 -29.1775 -29.1775 -12.4755 -12.4755 -5.0534 -5.0534 -4.5794 -4.5794 -4.4265 -4.4265 0.7583 0.7583 2.4816 2.4816 2.7569 2.7569 5.7530 5.7530 6.0582 6.0582 7.3884 7.3884 8.4273 8.4273 8.4957 8.4957 8.8174 8.8174 10.9651 10.9651 11.0393 11.0393 11.7436 11.7436 14.4058 14.4058 14.6754 14.6754 15.3330 15.3330 16.8634 16.8634 19.6307 19.6307 20.3956 20.3956 k = 0.5000 0.5000 0.1375 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3356 -41.3356 -29.1913 -29.1913 -29.1779 -29.1779 -12.4737 -12.4737 -5.0340 -5.0340 -4.5745 -4.5745 -4.4219 -4.4219 0.7388 0.7388 2.4580 2.4580 2.7188 2.7188 5.7539 5.7539 6.0590 6.0590 7.4373 7.4373 8.4288 8.4288 8.4996 8.4996 8.7058 8.7058 10.9879 10.9879 11.0551 11.0551 11.7456 11.7456 14.4372 14.4372 14.6983 14.6983 15.3467 15.3467 17.0042 17.0042 19.6078 19.6078 20.4304 20.4304 k = 0.5000 0.5000 0.1500 ( 3060 PWs) bands (ev): -72.9409 -72.9409 -41.3357 -41.3357 -29.1913 -29.1913 -29.1784 -29.1784 -12.4717 -12.4717 -5.0132 -5.0132 -4.5692 -4.5692 -4.4171 -4.4171 0.7181 0.7181 2.4331 2.4331 2.6789 2.6789 5.7548 5.7548 6.0598 6.0598 7.4886 7.4886 8.4087 8.4087 8.5036 8.5036 8.6117 8.6117 11.0128 11.0128 11.0728 11.0728 11.7476 11.7476 14.4702 14.4702 14.7227 14.7227 15.3614 15.3614 17.1500 17.1500 19.5849 19.5849 20.4668 20.4668 k = 0.5000 0.5000 0.1625 ( 3068 PWs) bands (ev): -72.9409 -72.9409 -41.3357 -41.3357 -29.1912 -29.1912 -29.1789 -29.1789 -12.4697 -12.4697 -4.9912 -4.9912 -4.5635 -4.5635 -4.4119 -4.4119 0.6962 0.6962 2.4069 2.4069 2.6375 2.6375 5.7557 5.7557 6.0606 6.0606 7.5419 7.5419 8.3401 8.3401 8.5075 8.5075 8.5629 8.5629 11.0397 11.0397 11.0925 11.0925 11.7498 11.7498 14.5046 14.5046 14.7486 14.7486 15.3774 15.3774 17.2992 17.2992 19.5629 19.5629 20.5013 20.5013 k = 0.5000 0.5000 0.1750 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3357 -41.3357 -29.1912 -29.1912 -29.1793 -29.1793 -12.4675 -12.4675 -4.9679 -4.9679 -4.5573 -4.5573 -4.4064 -4.4064 0.6734 0.6734 2.3796 2.3796 2.5950 2.5950 5.7566 5.7566 6.0615 6.0615 7.5969 7.5969 8.2299 8.2299 8.5115 8.5115 8.5536 8.5536 11.0685 11.0685 11.1141 11.1141 11.7522 11.7522 14.5404 14.5404 14.7758 14.7758 15.3944 15.3944 17.4502 17.4502 19.5426 19.5426 20.5203 20.5203 k = 0.5000 0.5000 0.1875 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3358 -41.3358 -29.1911 -29.1911 -29.1799 -29.1799 -12.4653 -12.4653 -4.9437 -4.9437 -4.5506 -4.5506 -4.4007 -4.4007 0.6497 0.6497 2.3515 2.3515 2.5518 2.5518 5.7574 5.7574 6.0623 6.0623 7.6530 7.6530 8.1032 8.1032 8.5153 8.5153 8.5591 8.5591 11.0990 11.0990 11.1376 11.1376 11.7546 11.7546 14.5773 14.5773 14.8041 14.8041 15.4124 15.4124 17.6010 17.6010 19.5250 19.5250 20.4829 20.4829 k = 0.5000 0.5000 0.2000 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3358 -41.3358 -29.1911 -29.1911 -29.1804 -29.1804 -12.4630 -12.4630 -4.9187 -4.9187 -4.5435 -4.5435 -4.3947 -4.3947 0.6253 0.6253 2.3227 2.3227 2.5081 2.5081 5.7581 5.7581 6.0631 6.0631 7.7097 7.7097 7.9707 7.9707 8.5190 8.5190 8.5696 8.5696 11.1312 11.1312 11.1630 11.1630 11.7571 11.7571 14.6152 14.6152 14.8332 14.8332 15.4314 15.4314 17.7494 17.7494 19.5113 19.5113 20.3899 20.3899 k = 0.5000 0.5000 0.2125 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3359 -41.3359 -29.1910 -29.1910 -29.1810 -29.1810 -12.4606 -12.4606 -4.8931 -4.8931 -4.5359 -4.5359 -4.3886 -4.3886 0.6004 0.6004 2.2935 2.2935 2.4642 2.4642 5.7587 5.7587 6.0640 6.0640 7.7667 7.7667 7.8363 7.8363 8.5227 8.5227 8.5820 8.5820 11.1649 11.1649 11.1902 11.1902 11.7597 11.7597 14.6539 14.6539 14.8632 14.8632 15.4514 15.4514 17.8931 17.8931 19.5031 19.5031 20.2795 20.2795 k = 0.5000 0.5000 0.2250 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3359 -41.3359 -29.1910 -29.1910 -29.1816 -29.1816 -12.4582 -12.4582 -4.8670 -4.8670 -4.5278 -4.5278 -4.3823 -4.3823 0.5752 0.5752 2.2640 2.2640 2.4204 2.4204 5.7591 5.7591 6.0648 6.0648 7.7019 7.7019 7.8236 7.8236 8.5263 8.5263 8.5948 8.5948 11.1999 11.1999 11.2191 11.2191 11.7623 11.7623 14.6933 14.6933 14.8936 14.8936 15.4722 15.4722 18.0295 18.0295 19.5022 19.5022 20.1570 20.1570 k = 0.5000 0.5000 0.2375 ( 3052 PWs) bands (ev): -72.9409 -72.9409 -41.3360 -41.3360 -29.1909 -29.1909 -29.1822 -29.1822 -12.4557 -12.4557 -4.8408 -4.8408 -4.5191 -4.5191 -4.3759 -4.3759 0.5498 0.5498 2.2343 2.2343 2.3770 2.3770 5.7593 5.7593 6.0656 6.0656 7.5687 7.5687 7.8798 7.8798 8.5298 8.5298 8.6076 8.6076 11.2360 11.2360 11.2496 11.2496 11.7650 11.7650 14.7333 14.7333 14.9244 14.9244 15.4939 15.4939 18.1556 18.1556 19.5109 19.5109 20.0351 20.0351 k = 0.5000 0.5000 0.2500 ( 3060 PWs) bands (ev): -72.9409 -72.9409 -41.3360 -41.3360 -29.1909 -29.1909 -29.1828 -29.1828 -12.4532 -12.4532 -4.8146 -4.8146 -4.5098 -4.5098 -4.3695 -4.3695 0.5243 0.5243 2.2048 2.2048 2.3342 2.3342 5.7592 5.7592 6.0664 6.0664 7.4375 7.4375 7.9350 7.9350 8.5334 8.5334 8.6200 8.6200 11.2731 11.2731 11.2815 11.2815 11.7677 11.7677 14.7736 14.7736 14.9553 14.9553 15.5162 15.5162 18.2683 18.2683 19.5315 19.5315 19.9157 19.9157 k = 0.5000 0.5000 0.2625 ( 3032 PWs) bands (ev): -72.9409 -72.9409 -41.3360 -41.3360 -29.1908 -29.1908 -29.1833 -29.1833 -12.4507 -12.4507 -4.7887 -4.7887 -4.4998 -4.4998 -4.3629 -4.3629 0.4989 0.4989 2.1755 2.1755 2.2922 2.2922 5.7589 5.7589 6.0672 6.0672 7.3093 7.3093 7.9889 7.9889 8.5374 8.5374 8.6319 8.6319 11.3109 11.3109 11.3148 11.3148 11.7704 11.7704 14.8142 14.8142 14.9862 14.9862 15.5394 15.5394 18.3648 18.3648 19.5657 19.5657 19.7995 19.7995 k = 0.5000 0.5000 0.2750 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3361 -41.3361 -29.1908 -29.1908 -29.1839 -29.1839 -12.4483 -12.4483 -4.7634 -4.7634 -4.4892 -4.4892 -4.3564 -4.3564 0.4738 0.4738 2.1466 2.1466 2.2512 2.2512 5.7581 5.7581 6.0679 6.0679 7.1847 7.1847 8.0409 8.0409 8.5415 8.5415 8.6429 8.6429 11.3490 11.3490 11.3492 11.3492 11.7731 11.7731 14.8547 14.8547 15.0166 15.0166 15.5631 15.5631 18.4432 18.4432 19.6104 19.6104 19.6912 19.6912 k = 0.5000 0.5000 0.2875 ( 3036 PWs) bands (ev): -72.9409 -72.9409 -41.3361 -41.3361 -29.1907 -29.1907 -29.1845 -29.1845 -12.4458 -12.4458 -4.7390 -4.7390 -4.4778 -4.4778 -4.3500 -4.3500 0.4491 0.4491 2.1184 2.1184 2.2115 2.2115 5.7568 5.7568 6.0687 6.0687 7.0643 7.0643 8.0905 8.0905 8.5461 8.5461 8.6531 8.6531 11.3839 11.3839 11.3877 11.3877 11.7758 11.7758 14.8950 14.8950 15.0466 15.0466 15.5873 15.5873 18.5031 18.5031 19.5659 19.5659 19.6066 19.6066 k = 0.5000 0.5000 0.3000 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3362 -41.3362 -29.1907 -29.1907 -29.1851 -29.1851 -12.4434 -12.4434 -4.7157 -4.7157 -4.4656 -4.4656 -4.3436 -4.3436 0.4250 0.4250 2.0908 2.0908 2.1731 2.1731 5.7549 5.7549 6.0693 6.0693 6.9487 6.9487 8.1374 8.1374 8.5514 8.5514 8.6625 8.6625 11.4194 11.4194 11.4261 11.4261 11.7784 11.7784 14.9350 14.9350 15.0759 15.0759 15.6119 15.6119 18.5458 18.5458 19.4616 19.4616 19.5028 19.5028 k = 0.5000 0.5000 0.3125 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3362 -41.3362 -29.1906 -29.1906 -29.1856 -29.1856 -12.4411 -12.4411 -4.6938 -4.6938 -4.4525 -4.4525 -4.3374 -4.3374 0.4015 0.4015 2.0642 2.0642 2.1364 2.1364 5.7523 5.7523 6.0700 6.0700 6.8386 6.8386 8.1811 8.1811 8.5577 8.5577 8.6710 8.6710 11.4550 11.4550 11.4641 11.4641 11.7809 11.7809 14.9743 14.9743 15.1042 15.1042 15.6368 15.6368 18.5738 18.5738 19.3589 19.3589 19.4025 19.4025 k = 0.5000 0.5000 0.3250 ( 3044 PWs) bands (ev): -72.9409 -72.9409 -41.3363 -41.3363 -29.1906 -29.1906 -29.1861 -29.1861 -12.4388 -12.4388 -4.6735 -4.6735 -4.4386 -4.4386 -4.3313 -4.3313 0.3790 0.3790 2.0386 2.0386 2.1013 2.1013 5.7488 5.7488 6.0706 6.0706 6.7344 6.7344 8.2211 8.2211 8.5652 8.5652 8.6786 8.6786 11.4905 11.4905 11.5016 11.5016 11.7834 11.7834 15.0129 15.0129 15.1315 15.1315 15.6618 15.6618 18.5902 18.5902 19.2599 19.2599 19.3062 19.3062 k = 0.5000 0.5000 0.3375 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3363 -41.3363 -29.1906 -29.1906 -29.1867 -29.1867 -12.4366 -12.4366 -4.6549 -4.6549 -4.4240 -4.4240 -4.3255 -4.3255 0.3573 0.3573 2.0142 2.0142 2.0681 2.0681 5.7443 5.7443 6.0712 6.0712 6.6368 6.6368 8.2569 8.2569 8.5743 8.5743 8.6854 8.6854 11.5255 11.5255 11.5381 11.5381 11.7858 11.7858 15.0504 15.0504 15.1574 15.1574 15.6867 15.6867 18.5978 18.5978 19.1655 19.1655 19.2142 19.2142 k = 0.5000 0.5000 0.3500 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3363 -41.3363 -29.1905 -29.1905 -29.1871 -29.1871 -12.4345 -12.4345 -4.6382 -4.6382 -4.4089 -4.4089 -4.3198 -4.3198 0.3368 0.3368 1.9911 1.9911 2.0369 2.0369 5.7387 5.7387 6.0718 6.0718 6.5463 6.5463 8.2883 8.2883 8.5850 8.5850 8.6914 8.6914 11.5598 11.5598 11.5734 11.5734 11.7881 11.7881 15.0866 15.0866 15.1820 15.1820 15.7115 15.7115 18.5990 18.5990 19.0760 19.0760 19.1269 19.1269 k = 0.5000 0.5000 0.3625 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1905 -29.1905 -29.1876 -29.1876 -12.4326 -12.4326 -4.6234 -4.6234 -4.3934 -4.3934 -4.3145 -4.3145 0.3174 0.3174 1.9694 1.9694 2.0078 2.0078 5.7318 5.7318 6.0723 6.0723 6.4635 6.4635 8.3150 8.3150 8.5975 8.5975 8.6967 8.6967 11.5929 11.5929 11.6073 11.6073 11.7903 11.7903 15.1214 15.1214 15.2049 15.2049 15.7358 15.7358 18.5957 18.5957 18.9920 18.9920 19.0445 19.0445 k = 0.5000 0.5000 0.3750 ( 3048 PWs) bands (ev): -72.9409 -72.9409 -41.3364 -41.3364 -29.1905 -29.1905 -29.1880 -29.1880 -12.4307 -12.4307 -4.6103 -4.6103 -4.3779 -4.3779 -4.3095 -4.3095 0.2994 0.2994 1.9492 1.9492 1.9808 1.9808 5.7234 5.7234 6.0728 6.0728 6.3887 6.3887 8.3371 8.3371 8.6115 8.6115 8.7012 8.7012 11.6245 11.6245 11.6393 11.6393 11.7924 11.7924 15.1543 15.1543 15.2262 15.2262 15.7594 15.7594 18.5893 18.5893 18.9139 18.9139 18.9676 18.9676 k = 0.5000 0.5000 0.3875 ( 3056 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1904 -29.1904 -29.1885 -29.1885 -12.4290 -12.4290 -4.5989 -4.5989 -4.3626 -4.3626 -4.3049 -4.3049 0.2828 0.2828 1.9306 1.9306 1.9562 1.9562 5.7135 5.7135 6.0732 6.0732 6.3223 6.3223 8.3549 8.3549 8.6266 8.6266 8.7051 8.7051 11.6543 11.6543 11.6692 11.6692 11.7943 11.7943 15.1852 15.1852 15.2457 15.2457 15.7820 15.7820 18.5806 18.5806 18.8423 18.8423 18.8964 18.8964 k = 0.5000 0.5000 0.4000 ( 3064 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1904 -29.1904 -29.1889 -29.1889 -12.4275 -12.4275 -4.5891 -4.5891 -4.3479 -4.3479 -4.3006 -4.3006 0.2676 0.2676 1.9138 1.9138 1.9339 1.9339 5.7021 5.7021 6.0736 6.0736 6.2645 6.2645 8.3689 8.3689 8.6423 8.6423 8.7084 8.7084 11.6819 11.6819 11.6969 11.6969 11.7961 11.7961 15.2139 15.2139 15.2634 15.2634 15.8034 15.8034 18.5704 18.5704 18.7778 18.7778 18.8313 18.8313 k = 0.5000 0.5000 0.4125 ( 3064 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1904 -29.1904 -29.1892 -29.1892 -12.4261 -12.4261 -4.5807 -4.5807 -4.3342 -4.3342 -4.2968 -4.2968 0.2541 0.2541 1.8987 1.8987 1.9141 1.9141 5.6896 5.6896 6.0740 6.0740 6.2155 6.2155 8.3798 8.3798 8.6579 8.6579 8.7112 8.7112 11.7070 11.7070 11.7219 11.7219 11.7978 11.7978 15.2399 15.2399 15.2791 15.2791 15.8232 15.8232 18.5588 18.5588 18.7213 18.7213 18.7728 18.7728 k = 0.5000 0.5000 0.4250 ( 3064 PWs) bands (ev): -72.9409 -72.9409 -41.3365 -41.3365 -29.1904 -29.1904 -29.1895 -29.1895 -12.4248 -12.4248 -4.5737 -4.5737 -4.3216 -4.3216 -4.2934 -4.2934 0.2422 0.2422 1.8855 1.8855 1.8968 1.8968 5.6763 5.6763 6.0743 6.0743 6.1749 6.1749 8.3880 8.3880 8.6727 8.6727 8.7135 8.7135 11.7293 11.7293 11.7441 11.7441 11.7994 11.7994 15.2632 15.2632 15.2928 15.2928 15.8412 15.8412 18.5456 18.5456 18.6738 18.6738 18.7211 18.7211 k = 0.5000 0.5000 0.4375 ( 3064 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1903 -29.1903 -29.1897 -29.1897 -12.4238 -12.4238 -4.5679 -4.5679 -4.3105 -4.3105 -4.2905 -4.2905 0.2320 0.2320 1.8742 1.8742 1.8821 1.8821 5.6630 5.6630 6.0746 6.0746 6.1422 6.1422 8.3942 8.3942 8.6861 8.6861 8.7154 8.7154 11.7485 11.7485 11.7633 11.7633 11.8009 11.8009 15.2834 15.2834 15.3044 15.3044 15.8571 15.8571 18.5304 18.5304 18.6364 18.6364 18.6767 18.6767 k = 0.5000 0.5000 0.4500 ( 3064 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1903 -29.1903 -29.1899 -29.1899 -12.4229 -12.4229 -4.5633 -4.5633 -4.3011 -4.3011 -4.2881 -4.2881 0.2236 0.2236 1.8650 1.8650 1.8699 1.8699 5.6506 5.6506 6.0748 6.0748 6.1168 6.1168 8.3987 8.3987 8.6976 8.6976 8.7169 8.7169 11.7642 11.7642 11.7793 11.7793 11.8024 11.8024 15.3003 15.3003 15.3140 15.3140 15.8705 15.8705 18.5135 18.5135 18.6094 18.6094 18.6398 18.6398 k = 0.5000 0.5000 0.4625 ( 3056 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1903 -29.1903 -29.1901 -29.1901 -12.4222 -12.4222 -4.5597 -4.5597 -4.2936 -4.2936 -4.2862 -4.2862 0.2171 0.2171 1.8577 1.8577 1.8605 1.8605 5.6398 5.6398 6.0750 6.0750 6.0980 6.0980 8.4020 8.4020 8.7070 8.7070 8.7180 8.7180 11.7762 11.7762 11.7918 11.7918 11.8041 11.8041 15.3136 15.3136 15.3215 15.3215 15.8813 15.8813 18.4967 18.4967 18.5916 18.5916 18.6108 18.6108 k = 0.5000 0.5000 0.4750 ( 3056 PWs) bands (ev): -72.9409 -72.9409 -41.3366 -41.3366 -29.1903 -29.1903 -29.1902 -29.1902 -12.4217 -12.4217 -4.5572 -4.5572 -4.2882 -4.2882 -4.2849 -4.2849 0.2123 0.2123 1.8525 1.8525 1.8537 1.8537 5.6315 5.6315 6.0751 6.0751 6.0852 6.0852 8.4041 8.4041 8.7138 8.7138 8.7188 8.7188 11.7843 11.7843 11.8009 11.8009 11.8060 11.8060 15.3233 15.3233 15.3268 15.3268 15.8891 15.8891 18.4826 18.4826 18.5808 18.5808 18.5899 18.5899 k = 0.5000 0.5000 0.4875 ( 3036 PWs) bands (ev): -72.9408 -72.9408 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4214 -12.4214 -4.5557 -4.5557 -4.2849 -4.2849 -4.2840 -4.2840 0.2095 0.2095 1.8493 1.8493 1.8496 1.8496 5.6262 5.6262 6.0752 6.0752 6.0777 6.0777 8.4053 8.4053 8.7180 8.7180 8.7193 8.7193 11.7886 11.7886 11.8064 11.8064 11.8076 11.8076 15.3292 15.3292 15.3302 15.3302 15.8939 15.8939 18.4733 18.4733 18.5749 18.5749 18.5773 18.5773 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): -72.9408 -72.9408 -41.3366 -41.3366 -29.1902 -29.1902 -29.1902 -29.1902 -12.4213 -12.4213 -4.5552 -4.5552 -4.2837 -4.2837 -4.2837 -4.2837 0.2085 0.2085 1.8483 1.8483 1.8483 1.8483 5.6245 5.6245 6.0753 6.0753 6.0753 6.0753 8.4058 8.4058 8.7195 8.7195 8.7195 8.7195 11.7900 11.7900 11.8083 11.8083 11.8083 11.8083 15.3313 15.3313 15.3313 15.3313 15.8956 15.8956 18.4701 18.4701 18.5731 18.5731 18.5731 18.5731 Writing output data file BaOsO3.save init_run : 0.23s CPU 0.33s WALL ( 1 calls) electrons : 100.45s CPU 102.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 100.44s CPU 102.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 306 calls) cegterg : 94.47s CPU 96.08s WALL ( 323 calls) Called by sum_band: Called by *egterg: h_psi : 38.08s CPU 39.16s WALL ( 6094 calls) s_psi : 3.04s CPU 2.98s WALL ( 6094 calls) g_psi : 0.15s CPU 0.14s WALL ( 5465 calls) cdiaghg : 46.82s CPU 47.51s WALL ( 5771 calls) cegterg:over : 4.08s CPU 4.18s WALL ( 5465 calls) cegterg:upda : 3.31s CPU 3.22s WALL ( 5465 calls) cegterg:last : 1.77s CPU 1.82s WALL ( 935 calls) cdiaghg:chol : 2.44s CPU 2.58s WALL ( 5771 calls) cdiaghg:inve : 1.76s CPU 1.83s WALL ( 5771 calls) cdiaghg:para : 2.88s CPU 2.90s WALL ( 11542 calls) Called by h_psi: h_psi:vloc : 31.90s CPU 32.66s WALL ( 6094 calls) h_psi:vnl : 6.07s CPU 6.38s WALL ( 6094 calls) add_vuspsi : 3.15s CPU 3.19s WALL ( 6094 calls) General routines calbec : 2.90s CPU 3.17s WALL ( 6094 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.52s CPU 30.31s WALL ( 670644 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.20s WALL ( 612 calls) Parallel routines fft_scatter : 14.93s CPU 15.49s WALL ( 670667 calls) PWSCF : 1m53.63s CPU 2m 3.43s WALL This run was terminated on: 14:13:11 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=