Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:11:21 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: ./BaPbO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 47 27 8 1469 641 106 Max 48 28 9 1474 660 111 Sum 1701 989 293 52923 23439 3887 bravais-lattice index = 14 lattice parameter (alat) = 8.1298 a.u. unit-cell volume = 537.3262 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.129790 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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) Pb 14.00 207.20000 Pb( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0035088 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0035088 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0035088 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0035088 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0035088 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0035088 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0035088 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0035088 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0035088 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0035088 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0035088 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0035088 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0035088 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0035088 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0035088 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0035088 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0035088 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0035088 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0035088 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0035088 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0035088 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0035088 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0035088 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0035088 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0035088 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0035088 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0035088 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0035088 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0035088 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0035088 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0035088 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0035088 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0035088 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0035088 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0035088 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0035088 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0035088 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0035088 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0035088 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0035088 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0035088 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0035088 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0035088 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0035088 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0035088 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0035088 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0035088 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0035088 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0035088 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0035088 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0035088 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0035088 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0035088 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0035088 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0035088 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0035088 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0035088 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0035088 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0035088 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0035088 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0035088 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0035088 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0035088 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0035088 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0035088 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0035088 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0035088 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0035088 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 78) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0035088 k( 79) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0035088 k( 80) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0035088 k( 81) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0035088 k( 82) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0035088 k( 83) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0035088 k( 84) = ( 0.4326923 0.4326923 -0.0000000), wk = 0.0035088 k( 85) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0035088 k( 86) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0035088 k( 87) = ( 0.4038462 0.4038461 -0.0000000), wk = 0.0035088 k( 88) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0035088 k( 89) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0035088 k( 90) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0035088 k( 91) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0035088 k( 92) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0035088 k( 93) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0035088 k( 94) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0035088 k( 95) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0035088 k( 96) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0035088 k( 97) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0035088 k( 98) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0035088 k( 99) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0035088 k( 100) = ( 0.2788462 0.2788461 -0.0000000), wk = 0.0035088 k( 101) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0035088 k( 102) = ( 0.2596154 0.2596154 -0.0000000), wk = 0.0035088 k( 103) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035088 k( 104) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0035088 k( 105) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0035088 k( 106) = ( 0.2211539 0.2211538 -0.0000000), wk = 0.0035088 k( 107) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0035088 k( 108) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0035088 k( 109) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0035088 k( 110) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0035088 k( 111) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0035088 k( 112) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0035088 k( 113) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0035088 k( 114) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0035088 k( 115) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0035088 k( 116) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0035088 k( 117) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0035088 k( 118) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0035088 k( 119) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0035088 k( 120) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0035088 k( 121) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0035088 k( 122) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0035088 k( 123) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0035088 k( 124) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0035088 k( 125) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0035088 k( 126) = ( 0.0288462 0.0288461 -0.0000000), wk = 0.0035088 k( 127) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0035088 k( 128) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 131) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0035088 k( 132) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0035088 k( 133) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0035088 k( 134) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0035088 k( 135) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0035088 k( 136) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0035088 k( 137) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0035088 k( 138) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0035088 k( 139) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0035088 k( 140) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0035088 k( 141) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0035088 k( 142) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0035088 k( 143) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0035088 k( 144) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0035088 k( 145) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0035088 k( 146) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0035088 k( 147) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0035088 k( 148) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0035088 k( 149) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0035088 k( 150) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0035088 k( 151) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0035088 k( 152) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0035088 k( 153) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0035088 k( 154) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0035088 k( 155) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0035088 k( 156) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0035088 k( 157) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0035088 k( 158) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0035088 k( 159) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0035088 k( 160) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0035088 k( 161) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0035088 k( 162) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 163) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0035088 k( 164) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0035088 k( 165) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0035088 k( 166) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0035088 k( 167) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0035088 k( 168) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0035088 k( 169) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0035088 k( 170) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0035088 k( 171) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0035088 k( 172) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0035088 k( 173) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0035088 k( 174) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0035088 k( 175) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0035088 k( 176) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0035088 k( 177) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0035088 k( 178) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0035088 k( 179) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0035088 k( 180) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0035088 k( 181) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0035088 k( 182) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0035088 k( 183) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0035088 k( 184) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0035088 k( 185) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0035088 k( 186) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0035088 k( 187) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0035088 k( 188) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0035088 k( 189) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0035088 k( 190) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0035088 k( 191) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0035088 k( 192) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0035088 k( 193) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0035088 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 196) = ( 0.4903846 0.5000000 0.4903846), wk = 0.0035088 k( 197) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0035088 k( 198) = ( 0.4711538 0.5000000 0.4711538), wk = 0.0035088 k( 199) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0035088 k( 200) = ( 0.4519231 0.5000000 0.4519231), wk = 0.0035088 k( 201) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0035088 k( 202) = ( 0.4326923 0.5000000 0.4326923), wk = 0.0035088 k( 203) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0035088 k( 204) = ( 0.4134615 0.5000000 0.4134615), wk = 0.0035088 k( 205) = ( 0.4038462 0.5000000 0.4038461), wk = 0.0035088 k( 206) = ( 0.3942308 0.5000000 0.3942308), wk = 0.0035088 k( 207) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0035088 k( 208) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0035088 k( 209) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0035088 k( 210) = ( 0.3557692 0.5000000 0.3557692), wk = 0.0035088 k( 211) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0035088 k( 212) = ( 0.3365385 0.5000000 0.3365385), wk = 0.0035088 k( 213) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0035088 k( 214) = ( 0.3173077 0.5000000 0.3173077), wk = 0.0035088 k( 215) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0035088 k( 216) = ( 0.2980769 0.5000000 0.2980769), wk = 0.0035088 k( 217) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0035088 k( 218) = ( 0.2788462 0.5000000 0.2788461), wk = 0.0035088 k( 219) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0035088 k( 220) = ( 0.2596154 0.5000000 0.2596154), wk = 0.0035088 k( 221) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0035088 k( 222) = ( 0.2403846 0.5000000 0.2403846), wk = 0.0035088 k( 223) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0035088 k( 224) = ( 0.2211539 0.5000000 0.2211538), wk = 0.0035088 k( 225) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0035088 k( 226) = ( 0.2019231 0.5000000 0.2019231), wk = 0.0035088 k( 227) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0035088 k( 228) = ( 0.1826923 0.5000000 0.1826923), wk = 0.0035088 k( 229) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0035088 k( 230) = ( 0.1634615 0.5000000 0.1634615), wk = 0.0035088 k( 231) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0035088 k( 232) = ( 0.1442308 0.5000000 0.1442308), wk = 0.0035088 k( 233) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0035088 k( 234) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0035088 k( 235) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0035088 k( 236) = ( 0.1057692 0.5000000 0.1057692), wk = 0.0035088 k( 237) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0035088 k( 238) = ( 0.0865385 0.5000000 0.0865385), wk = 0.0035088 k( 239) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0035088 k( 240) = ( 0.0673077 0.5000000 0.0673077), wk = 0.0035088 k( 241) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0035088 k( 242) = ( 0.0480769 0.5000000 0.0480769), wk = 0.0035088 k( 243) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0035088 k( 244) = ( 0.0288462 0.5000000 0.0288461), wk = 0.0035088 k( 245) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0035088 k( 246) = ( 0.0096154 0.5000000 0.0096154), wk = 0.0035088 k( 247) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0035088 k( 269) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0035088 k( 271) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0035088 k( 273) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0035088 k( 274) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0035088 k( 275) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0035088 k( 276) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0035088 k( 277) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0035088 k( 278) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0035088 k( 279) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0035088 k( 280) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0035088 k( 281) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0035088 k( 282) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0035088 k( 283) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0035088 k( 284) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0035088 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0035088 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0035088 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0035088 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0035088 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0035088 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0035088 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0035088 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0035088 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0035088 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0035088 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0035088 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0035088 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0035088 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0035088 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0035088 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0035088 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0035088 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0035088 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0035088 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0035088 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0035088 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0035088 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0035088 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0035088 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0035088 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0035088 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0035088 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0035088 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0035088 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0035088 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0035088 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0035088 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0035088 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0035088 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0035088 k( 37) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0035088 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0035088 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0035088 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0035088 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0035088 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0035088 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0035088 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0035088 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0035088 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0035088 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0035088 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0035088 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0035088 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0035088 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0035088 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0035088 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0035088 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0035088 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0035088 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0035088 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0035088 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0035088 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0035088 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0035088 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0035088 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0035088 k( 65) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0035088 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0035088 k( 67) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0035088 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0035088 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0035088 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0035088 k( 71) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0035088 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0035088 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0035088 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0035088 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0035088 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 78) = ( 0.4903846 0.4903846 0.0000000), wk = 0.0035088 k( 79) = ( 0.4807692 0.4807692 0.0000000), wk = 0.0035088 k( 80) = ( 0.4711538 0.4711538 0.0000000), wk = 0.0035088 k( 81) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0035088 k( 82) = ( 0.4519231 0.4519231 0.0000000), wk = 0.0035088 k( 83) = ( 0.4423077 0.4423077 0.0000000), wk = 0.0035088 k( 84) = ( 0.4326923 0.4326923 0.0000000), wk = 0.0035088 k( 85) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0035088 k( 86) = ( 0.4134615 0.4134615 0.0000000), wk = 0.0035088 k( 87) = ( 0.4038462 0.4038462 0.0000000), wk = 0.0035088 k( 88) = ( 0.3942308 0.3942308 0.0000000), wk = 0.0035088 k( 89) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0035088 k( 90) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0035088 k( 91) = ( 0.3653846 0.3653846 0.0000000), wk = 0.0035088 k( 92) = ( 0.3557692 0.3557692 0.0000000), wk = 0.0035088 k( 93) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0035088 k( 94) = ( 0.3365385 0.3365385 0.0000000), wk = 0.0035088 k( 95) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0035088 k( 96) = ( 0.3173077 0.3173077 0.0000000), wk = 0.0035088 k( 97) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0035088 k( 98) = ( 0.2980769 0.2980769 0.0000000), wk = 0.0035088 k( 99) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0035088 k( 100) = ( 0.2788462 0.2788462 0.0000000), wk = 0.0035088 k( 101) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0035088 k( 102) = ( 0.2596154 0.2596154 0.0000000), wk = 0.0035088 k( 103) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035088 k( 104) = ( 0.2403846 0.2403846 0.0000000), wk = 0.0035088 k( 105) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0035088 k( 106) = ( 0.2211539 0.2211539 0.0000000), wk = 0.0035088 k( 107) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0035088 k( 108) = ( 0.2019231 0.2019231 0.0000000), wk = 0.0035088 k( 109) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0035088 k( 110) = ( 0.1826923 0.1826923 0.0000000), wk = 0.0035088 k( 111) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0035088 k( 112) = ( 0.1634615 0.1634615 0.0000000), wk = 0.0035088 k( 113) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0035088 k( 114) = ( 0.1442308 0.1442308 0.0000000), wk = 0.0035088 k( 115) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0035088 k( 116) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035088 k( 117) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0035088 k( 118) = ( 0.1057692 0.1057692 0.0000000), wk = 0.0035088 k( 119) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0035088 k( 120) = ( 0.0865385 0.0865385 0.0000000), wk = 0.0035088 k( 121) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0035088 k( 122) = ( 0.0673077 0.0673077 0.0000000), wk = 0.0035088 k( 123) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0035088 k( 124) = ( 0.0480769 0.0480769 0.0000000), wk = 0.0035088 k( 125) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0035088 k( 126) = ( 0.0288462 0.0288462 0.0000000), wk = 0.0035088 k( 127) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0035088 k( 128) = ( 0.0096154 0.0096154 0.0000000), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 131) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0035088 k( 132) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0035088 k( 133) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0035088 k( 134) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0035088 k( 135) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0035088 k( 136) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0035088 k( 137) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0035088 k( 138) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0035088 k( 139) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0035088 k( 140) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0035088 k( 141) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0035088 k( 142) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0035088 k( 143) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0035088 k( 144) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0035088 k( 145) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0035088 k( 146) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0035088 k( 147) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0035088 k( 148) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0035088 k( 149) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0035088 k( 150) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0035088 k( 151) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0035088 k( 152) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0035088 k( 153) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0035088 k( 154) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0035088 k( 155) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0035088 k( 156) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0035088 k( 157) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0035088 k( 158) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0035088 k( 159) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0035088 k( 160) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0035088 k( 161) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0035088 k( 162) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 163) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0035088 k( 164) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0035088 k( 165) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0035088 k( 166) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0035088 k( 167) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0035088 k( 168) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0035088 k( 169) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0035088 k( 170) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0035088 k( 171) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0035088 k( 172) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0035088 k( 173) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0035088 k( 174) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0035088 k( 175) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0035088 k( 176) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0035088 k( 177) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0035088 k( 178) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0035088 k( 179) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0035088 k( 180) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0035088 k( 181) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0035088 k( 182) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0035088 k( 183) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0035088 k( 184) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0035088 k( 185) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0035088 k( 186) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0035088 k( 187) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0035088 k( 188) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0035088 k( 189) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0035088 k( 190) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0035088 k( 191) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0035088 k( 192) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0035088 k( 193) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0035088 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 196) = ( 0.4903846 0.5000000 0.4903846), wk = 0.0035088 k( 197) = ( 0.4807692 0.5000000 0.4807692), wk = 0.0035088 k( 198) = ( 0.4711538 0.5000000 0.4711538), wk = 0.0035088 k( 199) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0035088 k( 200) = ( 0.4519231 0.5000000 0.4519231), wk = 0.0035088 k( 201) = ( 0.4423077 0.5000000 0.4423077), wk = 0.0035088 k( 202) = ( 0.4326923 0.5000000 0.4326923), wk = 0.0035088 k( 203) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0035088 k( 204) = ( 0.4134615 0.5000000 0.4134615), wk = 0.0035088 k( 205) = ( 0.4038462 0.5000000 0.4038462), wk = 0.0035088 k( 206) = ( 0.3942308 0.5000000 0.3942308), wk = 0.0035088 k( 207) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0035088 k( 208) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0035088 k( 209) = ( 0.3653846 0.5000000 0.3653846), wk = 0.0035088 k( 210) = ( 0.3557692 0.5000000 0.3557692), wk = 0.0035088 k( 211) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0035088 k( 212) = ( 0.3365385 0.5000000 0.3365385), wk = 0.0035088 k( 213) = ( 0.3269231 0.5000000 0.3269231), wk = 0.0035088 k( 214) = ( 0.3173077 0.5000000 0.3173077), wk = 0.0035088 k( 215) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0035088 k( 216) = ( 0.2980769 0.5000000 0.2980769), wk = 0.0035088 k( 217) = ( 0.2884615 0.5000000 0.2884615), wk = 0.0035088 k( 218) = ( 0.2788462 0.5000000 0.2788462), wk = 0.0035088 k( 219) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0035088 k( 220) = ( 0.2596154 0.5000000 0.2596154), wk = 0.0035088 k( 221) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0035088 k( 222) = ( 0.2403846 0.5000000 0.2403846), wk = 0.0035088 k( 223) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0035088 k( 224) = ( 0.2211539 0.5000000 0.2211539), wk = 0.0035088 k( 225) = ( 0.2115385 0.5000000 0.2115385), wk = 0.0035088 k( 226) = ( 0.2019231 0.5000000 0.2019231), wk = 0.0035088 k( 227) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0035088 k( 228) = ( 0.1826923 0.5000000 0.1826923), wk = 0.0035088 k( 229) = ( 0.1730769 0.5000000 0.1730769), wk = 0.0035088 k( 230) = ( 0.1634615 0.5000000 0.1634615), wk = 0.0035088 k( 231) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0035088 k( 232) = ( 0.1442308 0.5000000 0.1442308), wk = 0.0035088 k( 233) = ( 0.1346154 0.5000000 0.1346154), wk = 0.0035088 k( 234) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0035088 k( 235) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0035088 k( 236) = ( 0.1057692 0.5000000 0.1057692), wk = 0.0035088 k( 237) = ( 0.0961538 0.5000000 0.0961538), wk = 0.0035088 k( 238) = ( 0.0865385 0.5000000 0.0865385), wk = 0.0035088 k( 239) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0035088 k( 240) = ( 0.0673077 0.5000000 0.0673077), wk = 0.0035088 k( 241) = ( 0.0576923 0.5000000 0.0576923), wk = 0.0035088 k( 242) = ( 0.0480769 0.5000000 0.0480769), wk = 0.0035088 k( 243) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0035088 k( 244) = ( 0.0288462 0.5000000 0.0288462), wk = 0.0035088 k( 245) = ( 0.0192308 0.5000000 0.0192308), wk = 0.0035088 k( 246) = ( 0.0096154 0.5000000 0.0096154), wk = 0.0035088 k( 247) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0035088 k( 269) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0035088 k( 271) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0035088 k( 273) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0035088 k( 274) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0035088 k( 275) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0035088 k( 276) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0035088 k( 277) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0035088 k( 278) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0035088 k( 279) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0035088 k( 280) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0035088 k( 281) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0035088 k( 282) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0035088 k( 283) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0035088 k( 284) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0035088 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 Dense grid: 52923 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 23439 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 172, 50) NL pseudopotentials 0.15 Mb ( 86, 111) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1471) G-vector shells 0.00 Mb ( 346) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 172, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 111, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaPbO3.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.3 secs Computing kpt #: 16 total cpu time spent up to now is 7.6 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 8.1 secs Computing kpt #: 19 total cpu time spent up to now is 8.7 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 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 9.7 secs Computing kpt #: 24 total cpu time spent up to now is 10.0 secs Computing kpt #: 25 total cpu time spent up to now is 10.2 secs Computing kpt #: 26 total cpu time spent up to now is 10.5 secs Computing kpt #: 27 total cpu time spent up to now is 10.7 secs Computing kpt #: 28 total cpu time spent up to now is 11.0 secs Computing kpt #: 29 total cpu time spent up to now is 11.2 secs Computing kpt #: 30 total cpu time spent up to now is 11.5 secs Computing kpt #: 31 total cpu time spent up to now is 11.7 secs Computing kpt #: 32 total cpu time spent up to now is 12.0 secs Computing kpt #: 33 total cpu time spent up to now is 12.2 secs Computing kpt #: 34 total cpu time spent up to now is 12.4 secs Computing kpt #: 35 total cpu time spent up to now is 12.7 secs Computing kpt #: 36 total cpu time spent up to now is 12.9 secs Computing kpt #: 37 total cpu time spent up to now is 13.2 secs Computing kpt #: 38 total cpu time spent up to now is 13.4 secs Computing kpt #: 39 total cpu time spent up to now is 13.6 secs Computing kpt #: 40 total cpu time spent up to now is 13.9 secs Computing kpt #: 41 total cpu time spent up to now is 14.1 secs Computing kpt #: 42 total cpu time spent up to now is 14.3 secs Computing kpt #: 43 total cpu time spent up to now is 14.6 secs Computing kpt #: 44 total cpu time spent up to now is 14.8 secs Computing kpt #: 45 total cpu time spent up to now is 15.1 secs Computing kpt #: 46 total cpu time spent up to now is 15.3 secs Computing kpt #: 47 total cpu time spent up to now is 15.6 secs Computing kpt #: 48 total cpu time spent up to now is 15.8 secs Computing kpt #: 49 total cpu time spent up to now is 16.0 secs Computing kpt #: 50 total cpu time spent up to now is 16.3 secs Computing kpt #: 51 total cpu time spent up to now is 16.5 secs Computing kpt #: 52 total cpu time spent up to now is 16.8 secs Computing kpt #: 53 total cpu time spent up to now is 17.0 secs Computing kpt #: 54 total cpu time spent up to now is 17.3 secs Computing kpt #: 55 total cpu time spent up to now is 17.5 secs Computing kpt #: 56 total cpu time spent up to now is 17.8 secs Computing kpt #: 57 total cpu time spent up to now is 18.0 secs Computing kpt #: 58 total cpu time spent up to now is 18.3 secs Computing kpt #: 59 total cpu time spent up to now is 18.5 secs Computing kpt #: 60 total cpu time spent up to now is 18.8 secs Computing kpt #: 61 total cpu time spent up to now is 19.0 secs Computing kpt #: 62 total cpu time spent up to now is 19.2 secs Computing kpt #: 63 total cpu time spent up to now is 19.5 secs Computing kpt #: 64 total cpu time spent up to now is 19.7 secs Computing kpt #: 65 total cpu time spent up to now is 20.0 secs Computing kpt #: 66 total cpu time spent up to now is 20.2 secs Computing kpt #: 67 total cpu time spent up to now is 20.5 secs Computing kpt #: 68 total cpu time spent up to now is 20.7 secs Computing kpt #: 69 total cpu time spent up to now is 21.0 secs Computing kpt #: 70 total cpu time spent up to now is 21.2 secs Computing kpt #: 71 total cpu time spent up to now is 21.4 secs Computing kpt #: 72 total cpu time spent up to now is 21.7 secs Computing kpt #: 73 total cpu time spent up to now is 21.9 secs Computing kpt #: 74 total cpu time spent up to now is 22.2 secs Computing kpt #: 75 total cpu time spent up to now is 22.4 secs Computing kpt #: 76 total cpu time spent up to now is 22.6 secs Computing kpt #: 77 total cpu time spent up to now is 22.9 secs Computing kpt #: 78 total cpu time spent up to now is 23.1 secs Computing kpt #: 79 total cpu time spent up to now is 23.3 secs Computing kpt #: 80 total cpu time spent up to now is 23.6 secs Computing kpt #: 81 total cpu time spent up to now is 23.8 secs Computing kpt #: 82 total cpu time spent up to now is 24.1 secs Computing kpt #: 83 total cpu time spent up to now is 24.3 secs Computing kpt #: 84 total cpu time spent up to now is 24.5 secs Computing kpt #: 85 total cpu time spent up to now is 24.8 secs Computing kpt #: 86 total cpu time spent up to now is 25.0 secs Computing kpt #: 87 total cpu time spent up to now is 25.3 secs Computing kpt #: 88 total cpu time spent up to now is 25.5 secs Computing kpt #: 89 total cpu time spent up to now is 25.8 secs Computing kpt #: 90 total cpu time spent up to now is 26.0 secs Computing kpt #: 91 total cpu time spent up to now is 26.2 secs Computing kpt #: 92 total cpu time spent up to now is 26.5 secs Computing kpt #: 93 total cpu time spent up to now is 26.7 secs Computing kpt #: 94 total cpu time spent up to now is 27.0 secs Computing kpt #: 95 total cpu time spent up to now is 27.2 secs Computing kpt #: 96 total cpu time spent up to now is 27.5 secs Computing kpt #: 97 total cpu time spent up to now is 27.7 secs Computing kpt #: 98 total cpu time spent up to now is 28.0 secs Computing kpt #: 99 total cpu time spent up to now is 28.2 secs Computing kpt #: 100 total cpu time spent up to now is 28.4 secs Computing kpt #: 101 total cpu time spent up to now is 28.7 secs Computing kpt #: 102 total cpu time spent up to now is 28.9 secs Computing kpt #: 103 total cpu time spent up to now is 29.2 secs Computing kpt #: 104 total cpu time spent up to now is 29.4 secs Computing kpt #: 105 total cpu time spent up to now is 29.7 secs Computing kpt #: 106 total cpu time spent up to now is 29.9 secs Computing kpt #: 107 total cpu time spent up to now is 30.2 secs Computing kpt #: 108 total cpu time spent up to now is 30.5 secs Computing kpt #: 109 total cpu time spent up to now is 30.7 secs Computing kpt #: 110 total cpu time spent up to now is 31.0 secs Computing kpt #: 111 total cpu time spent up to now is 31.2 secs Computing kpt #: 112 total cpu time spent up to now is 31.5 secs Computing kpt #: 113 total cpu time spent up to now is 31.8 secs Computing kpt #: 114 total cpu time spent up to now is 32.0 secs Computing kpt #: 115 total cpu time spent up to now is 32.3 secs Computing kpt #: 116 total cpu time spent up to now is 32.6 secs Computing kpt #: 117 total cpu time spent up to now is 32.8 secs Computing kpt #: 118 total cpu time spent up to now is 33.1 secs Computing kpt #: 119 total cpu time spent up to now is 33.4 secs Computing kpt #: 120 total cpu time spent up to now is 33.7 secs Computing kpt #: 121 total cpu time spent up to now is 34.0 secs Computing kpt #: 122 total cpu time spent up to now is 34.3 secs Computing kpt #: 123 total cpu time spent up to now is 34.6 secs Computing kpt #: 124 total cpu time spent up to now is 34.9 secs Computing kpt #: 125 total cpu time spent up to now is 35.2 secs Computing kpt #: 126 total cpu time spent up to now is 35.4 secs Computing kpt #: 127 total cpu time spent up to now is 35.7 secs Computing kpt #: 128 total cpu time spent up to now is 36.0 secs Computing kpt #: 129 total cpu time spent up to now is 36.3 secs Computing kpt #: 130 total cpu time spent up to now is 36.5 secs Computing kpt #: 131 total cpu time spent up to now is 36.8 secs Computing kpt #: 132 total cpu time spent up to now is 37.1 secs Computing kpt #: 133 total cpu time spent up to now is 37.4 secs Computing kpt #: 134 total cpu time spent up to now is 37.7 secs Computing kpt #: 135 total cpu time spent up to now is 38.0 secs Computing kpt #: 136 total cpu time spent up to now is 38.3 secs Computing kpt #: 137 total cpu time spent up to now is 38.6 secs Computing kpt #: 138 total cpu time spent up to now is 38.9 secs Computing kpt #: 139 total cpu time spent up to now is 39.2 secs Computing kpt #: 140 total cpu time spent up to now is 39.5 secs Computing kpt #: 141 total cpu time spent up to now is 39.8 secs Computing kpt #: 142 total cpu time spent up to now is 40.0 secs Computing kpt #: 143 total cpu time spent up to now is 40.3 secs Computing kpt #: 144 total cpu time spent up to now is 40.6 secs Computing kpt #: 145 total cpu time spent up to now is 40.9 secs Computing kpt #: 146 total cpu time spent up to now is 41.1 secs Computing kpt #: 147 total cpu time spent up to now is 41.4 secs Computing kpt #: 148 total cpu time spent up to now is 41.6 secs Computing kpt #: 149 total cpu time spent up to now is 41.9 secs Computing kpt #: 150 total cpu time spent up to now is 42.2 secs Computing kpt #: 151 total cpu time spent up to now is 42.4 secs Computing kpt #: 152 total cpu time spent up to now is 42.6 secs Computing kpt #: 153 total cpu time spent up to now is 42.9 secs Computing kpt #: 154 total cpu time spent up to now is 43.1 secs Computing kpt #: 155 total cpu time spent up to now is 43.4 secs Computing kpt #: 156 total cpu time spent up to now is 43.7 secs Computing kpt #: 157 total cpu time spent up to now is 43.9 secs Computing kpt #: 158 total cpu time spent up to now is 44.2 secs Computing kpt #: 159 total cpu time spent up to now is 44.4 secs Computing kpt #: 160 total cpu time spent up to now is 44.7 secs Computing kpt #: 161 total cpu time spent up to now is 44.9 secs Computing kpt #: 162 total cpu time spent up to now is 45.2 secs Computing kpt #: 163 total cpu time spent up to now is 45.4 secs Computing kpt #: 164 total cpu time spent up to now is 45.7 secs Computing kpt #: 165 total cpu time spent up to now is 45.9 secs Computing kpt #: 166 total cpu time spent up to now is 46.1 secs Computing kpt #: 167 total cpu time spent up to now is 46.4 secs Computing kpt #: 168 total cpu time spent up to now is 46.6 secs Computing kpt #: 169 total cpu time spent up to now is 46.9 secs Computing kpt #: 170 total cpu time spent up to now is 47.1 secs Computing kpt #: 171 total cpu time spent up to now is 47.4 secs Computing kpt #: 172 total cpu time spent up to now is 47.6 secs Computing kpt #: 173 total cpu time spent up to now is 47.8 secs Computing kpt #: 174 total cpu time spent up to now is 48.1 secs Computing kpt #: 175 total cpu time spent up to now is 48.3 secs Computing kpt #: 176 total cpu time spent up to now is 48.6 secs Computing kpt #: 177 total cpu time spent up to now is 48.8 secs Computing kpt #: 178 total cpu time spent up to now is 49.0 secs Computing kpt #: 179 total cpu time spent up to now is 49.3 secs Computing kpt #: 180 total cpu time spent up to now is 49.5 secs Computing kpt #: 181 total cpu time spent up to now is 49.8 secs Computing kpt #: 182 total cpu time spent up to now is 50.0 secs Computing kpt #: 183 total cpu time spent up to now is 50.2 secs Computing kpt #: 184 total cpu time spent up to now is 50.5 secs Computing kpt #: 185 total cpu time spent up to now is 50.7 secs Computing kpt #: 186 total cpu time spent up to now is 51.0 secs Computing kpt #: 187 total cpu time spent up to now is 51.2 secs Computing kpt #: 188 total cpu time spent up to now is 51.4 secs Computing kpt #: 189 total cpu time spent up to now is 51.7 secs Computing kpt #: 190 total cpu time spent up to now is 51.9 secs Computing kpt #: 191 total cpu time spent up to now is 52.1 secs Computing kpt #: 192 total cpu time spent up to now is 52.4 secs Computing kpt #: 193 total cpu time spent up to now is 52.6 secs Computing kpt #: 194 total cpu time spent up to now is 52.8 secs Computing kpt #: 195 total cpu time spent up to now is 53.0 secs Computing kpt #: 196 total cpu time spent up to now is 53.3 secs Computing kpt #: 197 total cpu time spent up to now is 53.5 secs Computing kpt #: 198 total cpu time spent up to now is 53.7 secs Computing kpt #: 199 total cpu time spent up to now is 53.9 secs Computing kpt #: 200 total cpu time spent up to now is 54.2 secs Computing kpt #: 201 total cpu time spent up to now is 54.4 secs Computing kpt #: 202 total cpu time spent up to now is 54.6 secs Computing kpt #: 203 total cpu time spent up to now is 54.9 secs Computing kpt #: 204 total cpu time spent up to now is 55.1 secs Computing kpt #: 205 total cpu time spent up to now is 55.4 secs Computing kpt #: 206 total cpu time spent up to now is 55.6 secs Computing kpt #: 207 total cpu time spent up to now is 55.8 secs Computing kpt #: 208 total cpu time spent up to now is 56.1 secs Computing kpt #: 209 total cpu time spent up to now is 56.3 secs Computing kpt #: 210 total cpu time spent up to now is 56.6 secs Computing kpt #: 211 total cpu time spent up to now is 56.8 secs Computing kpt #: 212 total cpu time spent up to now is 57.0 secs Computing kpt #: 213 total cpu time spent up to now is 57.3 secs Computing kpt #: 214 total cpu time spent up to now is 57.5 secs Computing kpt #: 215 total cpu time spent up to now is 57.8 secs Computing kpt #: 216 total cpu time spent up to now is 58.0 secs Computing kpt #: 217 total cpu time spent up to now is 58.3 secs Computing kpt #: 218 total cpu time spent up to now is 58.5 secs Computing kpt #: 219 total cpu time spent up to now is 58.8 secs Computing kpt #: 220 total cpu time spent up to now is 59.0 secs Computing kpt #: 221 total cpu time spent up to now is 59.3 secs Computing kpt #: 222 total cpu time spent up to now is 59.5 secs Computing kpt #: 223 total cpu time spent up to now is 59.8 secs Computing kpt #: 224 total cpu time spent up to now is 60.0 secs Computing kpt #: 225 total cpu time spent up to now is 60.2 secs Computing kpt #: 226 total cpu time spent up to now is 60.5 secs Computing kpt #: 227 total cpu time spent up to now is 60.7 secs Computing kpt #: 228 total cpu time spent up to now is 61.0 secs Computing kpt #: 229 total cpu time spent up to now is 61.2 secs Computing kpt #: 230 total cpu time spent up to now is 61.5 secs Computing kpt #: 231 total cpu time spent up to now is 61.8 secs Computing kpt #: 232 total cpu time spent up to now is 62.0 secs Computing kpt #: 233 total cpu time spent up to now is 62.2 secs Computing kpt #: 234 total cpu time spent up to now is 62.5 secs Computing kpt #: 235 total cpu time spent up to now is 62.7 secs Computing kpt #: 236 total cpu time spent up to now is 63.0 secs Computing kpt #: 237 total cpu time spent up to now is 63.2 secs Computing kpt #: 238 total cpu time spent up to now is 63.5 secs Computing kpt #: 239 total cpu time spent up to now is 63.7 secs Computing kpt #: 240 total cpu time spent up to now is 64.0 secs Computing kpt #: 241 total cpu time spent up to now is 64.2 secs Computing kpt #: 242 total cpu time spent up to now is 64.5 secs Computing kpt #: 243 total cpu time spent up to now is 64.7 secs Computing kpt #: 244 total cpu time spent up to now is 64.9 secs Computing kpt #: 245 total cpu time spent up to now is 65.2 secs Computing kpt #: 246 total cpu time spent up to now is 65.4 secs Computing kpt #: 247 total cpu time spent up to now is 65.6 secs Computing kpt #: 248 total cpu time spent up to now is 65.9 secs Computing kpt #: 249 total cpu time spent up to now is 66.1 secs Computing kpt #: 250 total cpu time spent up to now is 66.4 secs Computing kpt #: 251 total cpu time spent up to now is 66.6 secs Computing kpt #: 252 total cpu time spent up to now is 66.9 secs Computing kpt #: 253 total cpu time spent up to now is 67.1 secs Computing kpt #: 254 total cpu time spent up to now is 67.3 secs Computing kpt #: 255 total cpu time spent up to now is 67.6 secs Computing kpt #: 256 total cpu time spent up to now is 67.8 secs Computing kpt #: 257 total cpu time spent up to now is 68.1 secs Computing kpt #: 258 total cpu time spent up to now is 68.3 secs Computing kpt #: 259 total cpu time spent up to now is 68.6 secs Computing kpt #: 260 total cpu time spent up to now is 68.8 secs Computing kpt #: 261 total cpu time spent up to now is 69.1 secs Computing kpt #: 262 total cpu time spent up to now is 69.3 secs Computing kpt #: 263 total cpu time spent up to now is 69.6 secs Computing kpt #: 264 total cpu time spent up to now is 69.8 secs Computing kpt #: 265 total cpu time spent up to now is 70.1 secs Computing kpt #: 266 total cpu time spent up to now is 70.3 secs Computing kpt #: 267 total cpu time spent up to now is 70.6 secs Computing kpt #: 268 total cpu time spent up to now is 70.8 secs Computing kpt #: 269 total cpu time spent up to now is 71.0 secs Computing kpt #: 270 total cpu time spent up to now is 71.3 secs Computing kpt #: 271 total cpu time spent up to now is 71.5 secs Computing kpt #: 272 total cpu time spent up to now is 71.8 secs Computing kpt #: 273 total cpu time spent up to now is 72.0 secs Computing kpt #: 274 total cpu time spent up to now is 72.2 secs Computing kpt #: 275 total cpu time spent up to now is 72.5 secs Computing kpt #: 276 total cpu time spent up to now is 72.7 secs Computing kpt #: 277 total cpu time spent up to now is 72.9 secs Computing kpt #: 278 total cpu time spent up to now is 73.2 secs Computing kpt #: 279 total cpu time spent up to now is 73.5 secs Computing kpt #: 280 total cpu time spent up to now is 73.7 secs Computing kpt #: 281 total cpu time spent up to now is 74.0 secs Computing kpt #: 282 total cpu time spent up to now is 74.2 secs Computing kpt #: 283 total cpu time spent up to now is 74.4 secs Computing kpt #: 284 total cpu time spent up to now is 74.7 secs Computing kpt #: 285 total cpu time spent up to now is 74.9 secs ethr = 2.38E-08, avg # of iterations = 11.7 total cpu time spent up to now is 74.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -15.5730 -15.5730 -8.6243 -8.6243 -8.6243 -8.6243 -7.4004 -7.4004 -7.4004 -7.4004 -6.0166 -6.0166 -5.9987 -5.9987 -5.9987 -5.9987 -5.8726 -5.8726 -2.9894 -2.9894 -1.5476 -1.5476 -1.5476 -1.5476 2.3843 2.3843 6.9777 6.9777 7.2731 7.2731 7.2731 7.2731 7.7467 7.7467 7.7467 7.7467 7.7624 7.7624 10.9787 10.9787 12.0177 12.0177 12.0177 12.0177 12.8902 12.8902 15.1192 15.1192 15.1192 15.1192 k = 0.0000 0.0135-0.0000 ( 2945 PWs) bands (ev): -15.5726 -15.5726 -8.6244 -8.6244 -8.6243 -8.6243 -7.4022 -7.4022 -7.4003 -7.4003 -6.0166 -6.0166 -5.9988 -5.9988 -5.9988 -5.9988 -5.8754 -5.8754 -2.9865 -2.9865 -1.5474 -1.5474 -1.5428 -1.5428 2.3835 2.3835 6.9782 6.9782 7.2728 7.2728 7.2742 7.2742 7.7461 7.7461 7.7463 7.7463 7.7619 7.7619 10.9761 10.9761 12.0123 12.0123 12.0172 12.0172 12.8871 12.8871 15.1100 15.1100 15.1158 15.1158 k = 0.0000 0.0270-0.0000 ( 2945 PWs) bands (ev): -15.5716 -15.5716 -8.6244 -8.6244 -8.6242 -8.6242 -7.4077 -7.4077 -7.4002 -7.4002 -6.0167 -6.0167 -5.9990 -5.9990 -5.9989 -5.9989 -5.8835 -5.8835 -2.9780 -2.9780 -1.5466 -1.5466 -1.5283 -1.5283 2.3810 2.3810 6.9797 6.9797 7.2718 7.2718 7.2776 7.2776 7.7442 7.7442 7.7449 7.7449 7.7602 7.7602 10.9683 10.9683 11.9963 11.9963 12.0156 12.0156 12.8780 12.8780 15.0829 15.0829 15.1055 15.1055 k = 0.0000 0.0405-0.0000 ( 2945 PWs) bands (ev): -15.5699 -15.5699 -8.6244 -8.6244 -8.6241 -8.6241 -7.4170 -7.4170 -7.4001 -7.4001 -6.0169 -6.0169 -5.9994 -5.9994 -5.9993 -5.9993 -5.8965 -5.8965 -2.9643 -2.9643 -1.5454 -1.5454 -1.5040 -1.5040 2.3770 2.3770 6.9821 6.9821 7.2701 7.2701 7.2833 7.2833 7.7411 7.7411 7.7426 7.7426 7.7575 7.7575 10.9550 10.9550 11.9703 11.9703 12.0131 12.0131 12.8627 12.8627 15.0394 15.0394 15.0891 15.0891 k = 0.0000 0.0541-0.0000 ( 2937 PWs) bands (ev): -15.5675 -15.5675 -8.6245 -8.6245 -8.6239 -8.6239 -7.4299 -7.4299 -7.3998 -7.3998 -6.0171 -6.0171 -5.9999 -5.9999 -5.9998 -5.9998 -5.9139 -5.9139 -2.9461 -2.9461 -1.5437 -1.5437 -1.4698 -1.4698 2.3714 2.3714 6.9850 6.9850 7.2677 7.2677 7.2916 7.2916 7.7370 7.7370 7.7393 7.7393 7.7540 7.7540 10.9356 10.9356 11.9352 11.9352 12.0096 12.0096 12.8415 12.8415 14.9818 14.9818 15.0674 15.0674 k = 0.0000 0.0676-0.0000 ( 2937 PWs) bands (ev): -15.5644 -15.5644 -8.6245 -8.6245 -8.6237 -8.6237 -7.4466 -7.4466 -7.3995 -7.3995 -6.0173 -6.0173 -6.0008 -6.0008 -6.0006 -6.0006 -5.9346 -5.9346 -2.9243 -2.9243 -1.5415 -1.5415 -1.4256 -1.4256 2.3644 2.3644 6.9882 6.9882 7.2644 7.2644 7.3026 7.3026 7.7319 7.7319 7.7353 7.7353 7.7496 7.7496 10.9092 10.9092 11.8924 11.8924 12.0052 12.0052 12.8143 12.8143 14.9125 14.9125 15.0413 15.0413 k = 0.0000 0.0811-0.0000 ( 2929 PWs) bands (ev): -15.5608 -15.5608 -8.6246 -8.6246 -8.6234 -8.6234 -7.4670 -7.4670 -7.3991 -7.3991 -6.0176 -6.0176 -6.0029 -6.0029 -6.0014 -6.0014 -5.9574 -5.9574 -2.8999 -2.8999 -1.5388 -1.5388 -1.3713 -1.3713 2.3560 2.3560 6.9912 6.9912 7.2602 7.2602 7.3164 7.3164 7.7260 7.7260 7.7304 7.7304 7.7446 7.7446 10.8748 10.8748 11.8435 11.8435 12.0000 12.0000 12.7812 12.7812 14.8340 14.8340 15.0116 15.0116 k = 0.0000 0.0946-0.0000 ( 2933 PWs) bands (ev): -15.5564 -15.5564 -8.6247 -8.6247 -8.6231 -8.6231 -7.4911 -7.4911 -7.3987 -7.3987 -6.0180 -6.0180 -6.0087 -6.0087 -6.0024 -6.0024 -5.9785 -5.9785 -2.8738 -2.8738 -1.5357 -1.5357 -1.3069 -1.3069 2.3463 2.3463 6.9937 6.9937 7.2549 7.2549 7.3333 7.3333 7.7195 7.7195 7.7249 7.7249 7.7390 7.7390 10.8312 10.8312 11.7906 11.7906 11.9942 11.9942 12.7424 12.7424 14.7488 14.7488 14.9793 14.9793 k = 0.0000 0.1081-0.0000 ( 2925 PWs) bands (ev): -15.5515 -15.5515 -8.6249 -8.6249 -8.6228 -8.6228 -7.5188 -7.5188 -7.3982 -7.3982 -6.0249 -6.0249 -6.0185 -6.0185 -6.0035 -6.0035 -5.9905 -5.9905 -2.8469 -2.8469 -1.5322 -1.5322 -1.2325 -1.2325 2.3356 2.3356 6.9952 6.9952 7.2484 7.2484 7.3534 7.3534 7.7126 7.7126 7.7190 7.7190 7.7329 7.7329 10.7769 10.7769 11.7361 11.7361 11.9877 11.9877 12.6979 12.6979 14.6589 14.6589 14.9451 14.9451 k = 0.0000 0.1216-0.0000 ( 2925 PWs) bands (ev): -15.5461 -15.5461 -8.6251 -8.6251 -8.6224 -8.6224 -7.5501 -7.5501 -7.3976 -7.3976 -6.0497 -6.0497 -6.0189 -6.0189 -6.0047 -6.0047 -5.9945 -5.9945 -2.8200 -2.8200 -1.5283 -1.5283 -1.1483 -1.1483 2.3240 2.3240 6.9955 6.9955 7.2406 7.2406 7.3768 7.3768 7.7056 7.7056 7.7128 7.7128 7.7265 7.7265 10.7105 10.7105 11.6821 11.6821 11.9808 11.9808 12.6479 12.6479 14.5661 14.5661 14.9094 14.9094 k = 0.0000 0.1351-0.0000 ( 2926 PWs) bands (ev): -15.5401 -15.5401 -8.6253 -8.6253 -8.6219 -8.6219 -7.5848 -7.5848 -7.3970 -7.3970 -6.0766 -6.0766 -6.0195 -6.0195 -6.0059 -6.0059 -5.9963 -5.9963 -2.7935 -2.7935 -1.5240 -1.5240 -1.0547 -1.0547 2.3115 2.3115 6.9943 6.9943 7.2313 7.2313 7.4034 7.4034 7.6987 7.6987 7.7065 7.7065 7.7198 7.7198 10.6310 10.6310 11.6306 11.6306 11.9736 11.9736 12.5924 12.5924 14.4721 14.4721 14.8728 14.8728 k = 0.0000 0.1486-0.0000 ( 2926 PWs) bands (ev): -15.5336 -15.5336 -8.6256 -8.6256 -8.6215 -8.6215 -7.6226 -7.6226 -7.3963 -7.3963 -6.1034 -6.1034 -6.0201 -6.0201 -6.0073 -6.0073 -5.9974 -5.9974 -2.7680 -2.7680 -1.5194 -1.5194 -0.9522 -0.9522 2.2986 2.2986 6.9913 6.9913 7.2205 7.2205 7.4331 7.4331 7.6922 7.6922 7.7003 7.7003 7.7129 7.7129 10.5379 10.5379 11.5833 11.5833 11.9662 11.9662 12.5316 12.5316 14.3780 14.3780 14.8357 14.8357 k = 0.0000 0.1622-0.0000 ( 2926 PWs) bands (ev): -15.5266 -15.5266 -8.6259 -8.6259 -8.6210 -8.6210 -7.6633 -7.6633 -7.3956 -7.3956 -6.1294 -6.1294 -6.0208 -6.0208 -6.0088 -6.0088 -5.9982 -5.9982 -2.7438 -2.7438 -1.5145 -1.5145 -0.8414 -0.8414 2.2853 2.2853 6.9864 6.9864 7.2082 7.2082 7.4655 7.4655 7.6863 7.6863 7.6943 7.6943 7.7061 7.7061 10.4314 10.4314 11.5410 11.5410 11.9586 11.9586 12.4658 12.4658 14.2849 14.2849 14.7983 14.7983 k = 0.0000 0.1757-0.0000 ( 2918 PWs) bands (ev): -15.5193 -15.5193 -8.6263 -8.6263 -8.6204 -8.6204 -7.7065 -7.7065 -7.3949 -7.3949 -6.1540 -6.1540 -6.0215 -6.0215 -6.0102 -6.0102 -5.9989 -5.9989 -2.7209 -2.7209 -1.5093 -1.5093 -0.7231 -0.7231 2.2719 2.2719 6.9796 6.9796 7.1942 7.1942 7.5004 7.5004 7.6813 7.6813 7.6881 7.6881 7.6998 7.6998 10.3122 10.3122 11.5039 11.5039 11.9510 11.9510 12.3951 12.3951 14.1937 14.1937 14.7608 14.7608 k = 0.0000 0.1892-0.0000 ( 2922 PWs) bands (ev): -15.5115 -15.5115 -8.6268 -8.6268 -8.6199 -8.6199 -7.7519 -7.7519 -7.3941 -7.3941 -6.1769 -6.1769 -6.0223 -6.0223 -6.0118 -6.0118 -5.9996 -5.9996 -2.6994 -2.6994 -1.5039 -1.5039 -0.5981 -0.5981 2.2587 2.2587 6.9710 6.9710 7.1787 7.1787 7.5371 7.5371 7.6776 7.6776 7.6814 7.6814 7.6947 7.6947 10.1818 10.1818 11.4720 11.4720 11.9435 11.9435 12.3199 12.3199 14.1051 14.1051 14.7234 14.7234 k = 0.0000 0.2027-0.0000 ( 2930 PWs) bands (ev): -15.5035 -15.5035 -8.6274 -8.6274 -8.6193 -8.6193 -7.7990 -7.7990 -7.3933 -7.3933 -6.1980 -6.1980 -6.0232 -6.0232 -6.0133 -6.0133 -6.0002 -6.0002 -2.6795 -2.6795 -1.4982 -1.4982 -0.4672 -0.4672 2.2459 2.2459 6.9605 6.9605 7.1617 7.1617 7.5746 7.5746 7.6740 7.6740 7.6758 7.6758 7.6910 7.6910 10.0417 10.0417 11.4446 11.4446 11.9361 11.9361 12.2404 12.2404 14.0195 14.0195 14.6864 14.6864 k = 0.0000 0.2162-0.0000 ( 2926 PWs) bands (ev): -15.4952 -15.4952 -8.6281 -8.6281 -8.6188 -8.6188 -7.8474 -7.8474 -7.3924 -7.3924 -6.2172 -6.2172 -6.0242 -6.0242 -6.0148 -6.0148 -6.0008 -6.0008 -2.6609 -2.6609 -1.4924 -1.4924 -0.3313 -0.3313 2.2341 2.2341 6.9482 6.9482 7.1433 7.1433 7.6104 7.6104 7.6659 7.6659 7.6778 7.6778 7.6887 7.6887 9.8940 9.8940 11.4214 11.4214 11.9291 11.9291 12.1571 12.1571 13.9374 13.9374 14.6498 14.6498 k = 0.0000 0.2297-0.0000 ( 2918 PWs) bands (ev): -15.4867 -15.4867 -8.6289 -8.6289 -8.6182 -8.6182 -7.8966 -7.8966 -7.3916 -7.3916 -6.2345 -6.2345 -6.0253 -6.0253 -6.0162 -6.0162 -6.0015 -6.0015 -2.6436 -2.6436 -1.4865 -1.4865 -0.1914 -0.1914 2.2234 2.2234 6.9345 6.9345 7.1238 7.1238 7.6380 7.6380 7.6575 7.6575 7.6877 7.6877 7.6893 7.6893 9.7405 9.7405 11.4016 11.4016 11.9223 11.9223 12.0703 12.0703 13.8589 13.8589 14.6138 14.6138 k = 0.0000 0.2432-0.0000 ( 2922 PWs) bands (ev): -15.4781 -15.4781 -8.6300 -8.6300 -8.6176 -8.6176 -7.9462 -7.9462 -7.3907 -7.3907 -6.2500 -6.2500 -6.0265 -6.0265 -6.0176 -6.0176 -6.0021 -6.0021 -2.6276 -2.6276 -1.4805 -1.4805 -0.0485 -0.0485 2.2145 2.2145 6.9194 6.9194 7.1033 7.1033 7.6489 7.6489 7.6508 7.6508 7.6878 7.6878 7.7158 7.7158 9.5837 9.5837 11.3847 11.3847 11.9158 11.9158 11.9807 11.9807 13.7842 13.7842 14.5784 14.5784 k = 0.0000 0.2568-0.0000 ( 2922 PWs) bands (ev): -15.4693 -15.4693 -8.6312 -8.6312 -8.6170 -8.6170 -7.9956 -7.9956 -7.3898 -7.3898 -6.2637 -6.2637 -6.0278 -6.0278 -6.0188 -6.0188 -6.0027 -6.0027 -2.6127 -2.6127 -1.4744 -1.4744 0.0963 0.0963 2.2078 2.2078 6.9032 6.9032 7.0821 7.0821 7.6401 7.6401 7.6559 7.6559 7.6888 7.6888 7.7486 7.7486 9.4261 9.4261 11.3702 11.3702 11.8887 11.8887 11.9098 11.9098 13.7134 13.7134 14.5439 14.5439 k = 0.0000 0.2703-0.0000 ( 2906 PWs) bands (ev): -15.4606 -15.4606 -8.6326 -8.6326 -8.6164 -8.6164 -8.0444 -8.0444 -7.3889 -7.3889 -6.2758 -6.2758 -6.0292 -6.0292 -6.0200 -6.0200 -6.0034 -6.0034 -2.5990 -2.5990 -1.4684 -1.4684 0.2418 0.2418 2.2040 2.2040 6.8861 6.8861 7.0604 7.0604 7.6314 7.6314 7.6592 7.6592 7.6906 7.6906 7.7795 7.7795 9.2709 9.2709 11.3575 11.3575 11.7951 11.7951 11.9041 11.9041 13.6464 13.6464 14.5104 14.5104 k = 0.0000 0.2838-0.0000 ( 2906 PWs) bands (ev): -15.4519 -15.4519 -8.6343 -8.6343 -8.6158 -8.6158 -8.0922 -8.0922 -7.3880 -7.3880 -6.2864 -6.2864 -6.0307 -6.0307 -6.0211 -6.0211 -6.0040 -6.0040 -2.5862 -2.5862 -1.4624 -1.4624 0.3865 0.3865 2.2039 2.2039 6.8684 6.8684 7.0384 7.0384 7.6228 7.6228 7.6622 7.6622 7.6930 7.6930 7.8034 7.8034 9.1224 9.1224 11.3462 11.3462 11.7006 11.7006 11.8989 11.8989 13.5834 13.5834 14.4779 14.4779 k = 0.0000 0.2973-0.0000 ( 2898 PWs) bands (ev): -15.4433 -15.4433 -8.6363 -8.6363 -8.6152 -8.6152 -8.1385 -8.1385 -7.3872 -7.3872 -6.2957 -6.2957 -6.0322 -6.0322 -6.0220 -6.0220 -6.0046 -6.0046 -2.5744 -2.5744 -1.4564 -1.4564 0.5289 0.5289 2.2086 2.2086 6.8503 6.8503 7.0164 7.0164 7.6144 7.6144 7.6655 7.6655 7.6960 7.6960 7.8150 7.8150 8.9862 8.9862 11.3354 11.3354 11.6063 11.6063 11.8942 11.8942 13.5242 13.5242 14.4465 14.4465 k = 0.0000 0.3108-0.0000 ( 2914 PWs) bands (ev): -15.4348 -15.4348 -8.6387 -8.6387 -8.6147 -8.6147 -8.1829 -8.1829 -7.3863 -7.3863 -6.3036 -6.3036 -6.0338 -6.0338 -6.0229 -6.0229 -6.0053 -6.0053 -2.5635 -2.5635 -1.4507 -1.4507 0.6671 0.6671 2.2190 2.2190 6.8320 6.8320 6.9946 6.9946 7.6062 7.6062 7.6692 7.6692 7.6994 7.6994 7.8077 7.8077 8.8695 8.8695 11.3233 11.3233 11.5144 11.5144 11.8898 11.8898 13.4688 13.4688 14.4164 14.4164 k = 0.0000 0.3243-0.0000 ( 2922 PWs) bands (ev): -15.4266 -15.4266 -8.6416 -8.6416 -8.6141 -8.6141 -8.2250 -8.2250 -7.3855 -7.3855 -6.3105 -6.3105 -6.0354 -6.0354 -6.0237 -6.0237 -6.0059 -6.0059 -2.5534 -2.5534 -1.4451 -1.4451 0.7990 0.7990 2.2367 2.2367 6.8139 6.8139 6.9734 6.9734 7.5984 7.5984 7.6731 7.6731 7.7031 7.7031 7.7746 7.7746 8.7800 8.7800 11.3043 11.3043 11.4310 11.4310 11.8860 11.8860 13.4172 13.4172 14.3878 14.3878 k = 0.0000 0.3378-0.0000 ( 2910 PWs) bands (ev): -15.4187 -15.4187 -8.6449 -8.6449 -8.6136 -8.6136 -8.2644 -8.2644 -7.3847 -7.3847 -6.3164 -6.3164 -6.0369 -6.0369 -6.0244 -6.0244 -6.0065 -6.0065 -2.5442 -2.5442 -1.4397 -1.4397 0.9223 0.9223 2.2630 2.2630 6.7961 6.7961 6.9528 6.9528 7.5908 7.5908 7.6768 7.6768 7.7070 7.7070 7.7118 7.7118 8.7226 8.7226 11.2617 11.2617 11.3730 11.3730 11.8826 11.8826 13.3693 13.3693 14.3606 14.3606 k = 0.0000 0.3514-0.0000 ( 2914 PWs) bands (ev): -15.4112 -15.4112 -8.6487 -8.6487 -8.6131 -8.6131 -8.3009 -8.3009 -7.3840 -7.3840 -6.3214 -6.3214 -6.0384 -6.0384 -6.0251 -6.0251 -6.0070 -6.0070 -2.5358 -2.5358 -1.4346 -1.4346 1.0346 1.0346 2.2994 2.2994 6.7789 6.7789 6.9331 6.9331 7.5837 7.5837 7.6188 7.6188 7.6823 7.6823 7.7110 7.7110 8.6967 8.6967 11.1886 11.1886 11.3481 11.3481 11.8795 11.8795 13.3251 13.3251 14.3351 14.3351 k = 0.0000 0.3649-0.0000 ( 2906 PWs) bands (ev): -15.4041 -15.4041 -8.6532 -8.6532 -8.6126 -8.6126 -8.3341 -8.3341 -7.3833 -7.3833 -6.3256 -6.3256 -6.0398 -6.0398 -6.0257 -6.0257 -6.0076 -6.0076 -2.5281 -2.5281 -1.4298 -1.4298 1.1339 1.1339 2.3468 2.3468 6.7625 6.7625 6.9144 6.9144 7.5055 7.5055 7.5771 7.5771 7.6865 7.6865 7.7150 7.7150 8.6964 8.6964 11.1043 11.1043 11.3376 11.3376 11.8769 11.8769 13.2846 13.2846 14.3114 14.3114 k = 0.0000 0.3784-0.0000 ( 2906 PWs) bands (ev): -15.3974 -15.3974 -8.6582 -8.6582 -8.6122 -8.6122 -8.3638 -8.3638 -7.3826 -7.3826 -6.3291 -6.3291 -6.0412 -6.0412 -6.0262 -6.0262 -6.0081 -6.0081 -2.5212 -2.5212 -1.4253 -1.4253 1.2187 1.2187 2.4053 2.4053 6.7470 6.7470 6.8970 6.8970 7.3786 7.3786 7.5709 7.5709 7.6907 7.6907 7.7188 7.7188 8.7142 8.7142 11.0188 11.0188 11.3320 11.3320 11.8746 11.8746 13.2479 13.2479 14.2896 14.2896 k = 0.0000 0.3919-0.0000 ( 2898 PWs) bands (ev): -15.3913 -15.3913 -8.6638 -8.6638 -8.6118 -8.6118 -8.3899 -8.3899 -7.3820 -7.3820 -6.3321 -6.3321 -6.0424 -6.0424 -6.0267 -6.0267 -6.0086 -6.0086 -2.5150 -2.5150 -1.4212 -1.4212 1.2887 1.2887 2.4736 2.4736 6.7325 6.7325 6.8811 6.8811 7.2461 7.2461 7.5652 7.5652 7.6949 7.6949 7.7225 7.7225 8.7436 8.7436 10.9357 10.9357 11.3285 11.3285 11.8727 11.8727 13.2149 13.2149 14.2697 14.2697 k = 0.0000 0.4054-0.0000 ( 2898 PWs) bands (ev): -15.3858 -15.3858 -8.6698 -8.6698 -8.6115 -8.6115 -8.4122 -8.4122 -7.3814 -7.3814 -6.3345 -6.3345 -6.0435 -6.0435 -6.0271 -6.0271 -6.0090 -6.0090 -2.5095 -2.5095 -1.4175 -1.4175 1.3446 1.3446 2.5492 2.5492 6.7192 6.7192 6.8666 6.8666 7.1142 7.1142 7.5602 7.5602 7.6988 7.6988 7.7259 7.7259 8.7794 8.7794 10.8569 10.8569 11.3262 11.3262 11.8711 11.8711 13.1856 13.1856 14.2519 14.2519 k = 0.0000 0.4189-0.0000 ( 2906 PWs) bands (ev): -15.3809 -15.3809 -8.6760 -8.6760 -8.6112 -8.6112 -8.4309 -8.4309 -7.3810 -7.3810 -6.3364 -6.3364 -6.0445 -6.0445 -6.0275 -6.0275 -6.0094 -6.0094 -2.5048 -2.5048 -1.4142 -1.4142 1.3880 1.3880 2.6284 2.6284 6.7069 6.7069 6.8539 6.8539 6.9882 6.9882 7.5557 7.5557 7.7023 7.7023 7.7290 7.7290 8.8180 8.8180 10.7838 10.7838 11.3246 11.3246 11.8698 11.8698 13.1601 13.1601 14.2362 14.2362 k = 0.0000 0.4324-0.0000 ( 2906 PWs) bands (ev): -15.3767 -15.3767 -8.6820 -8.6820 -8.6109 -8.6109 -8.4460 -8.4460 -7.3805 -7.3805 -6.3380 -6.3380 -6.0454 -6.0454 -6.0278 -6.0278 -6.0097 -6.0097 -2.5008 -2.5008 -1.4114 -1.4114 1.4208 1.4208 2.7065 2.7065 6.6954 6.6954 6.8429 6.8429 6.8732 6.8732 7.5519 7.5519 7.7055 7.7055 7.7318 7.7318 8.8563 8.8563 10.7179 10.7179 11.3236 11.3236 11.8687 11.8687 13.1384 13.1384 14.2229 14.2229 k = 0.0000 0.4459-0.0000 ( 2906 PWs) bands (ev): -15.3732 -15.3732 -8.6877 -8.6877 -8.6107 -8.6107 -8.4579 -8.4579 -7.3802 -7.3802 -6.3392 -6.3392 -6.0461 -6.0461 -6.0281 -6.0281 -6.0100 -6.0100 -2.4975 -2.4975 -1.4091 -1.4091 1.4449 1.4449 2.7791 2.7791 6.6824 6.6824 6.7753 6.7753 6.8338 6.8338 7.5487 7.5487 7.7081 7.7081 7.7341 7.7341 8.8918 8.8918 10.6608 10.6608 11.3229 11.3229 11.8679 11.8679 13.1206 13.1206 14.2118 14.2118 k = 0.0000 0.4595-0.0000 ( 2902 PWs) bands (ev): -15.3705 -15.3705 -8.6925 -8.6925 -8.6105 -8.6105 -8.4668 -8.4668 -7.3799 -7.3799 -6.3401 -6.3401 -6.0466 -6.0466 -6.0283 -6.0283 -6.0102 -6.0102 -2.4950 -2.4950 -1.4073 -1.4073 1.4619 1.4619 2.8414 2.8414 6.6553 6.6553 6.7112 6.7112 6.8266 6.8266 7.5463 7.5463 7.7103 7.7103 7.7359 7.7359 8.9222 8.9222 10.6141 10.6141 11.3225 11.3225 11.8672 11.8672 13.1068 13.1068 14.2032 14.2032 k = 0.0000 0.4730-0.0000 ( 2906 PWs) bands (ev): -15.3685 -15.3685 -8.6962 -8.6962 -8.6104 -8.6104 -8.4730 -8.4730 -7.3797 -7.3797 -6.3407 -6.3407 -6.0470 -6.0470 -6.0284 -6.0284 -6.0104 -6.0104 -2.4932 -2.4932 -1.4060 -1.4060 1.4732 1.4732 2.8894 2.8894 6.6072 6.6072 6.6912 6.6912 6.8215 6.8215 7.5445 7.5445 7.7118 7.7118 7.7372 7.7372 8.9456 8.9456 10.5793 10.5793 11.3223 11.3223 11.8668 11.8668 13.0968 13.0968 14.1969 14.1969 k = 0.0000 0.4865-0.0000 ( 2906 PWs) bands (ev): -15.3673 -15.3673 -8.6986 -8.6986 -8.6103 -8.6103 -8.4766 -8.4766 -7.3796 -7.3796 -6.3411 -6.3411 -6.0473 -6.0473 -6.0285 -6.0285 -6.0105 -6.0105 -2.4921 -2.4921 -1.4052 -1.4052 1.4797 1.4797 2.9196 2.9196 6.5712 6.5712 6.6850 6.6850 6.8184 6.8184 7.5434 7.5434 7.7127 7.7127 7.7380 7.7380 8.9603 8.9603 10.5579 10.5579 11.3221 11.3221 11.8665 11.8665 13.0909 13.0909 14.1932 14.1932 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3669 -15.3669 -8.6994 -8.6994 -8.6103 -8.6103 -8.4777 -8.4777 -7.3796 -7.3796 -6.3412 -6.3412 -6.0474 -6.0474 -6.0285 -6.0285 -6.0105 -6.0105 -2.4917 -2.4917 -1.4049 -1.4049 1.4818 1.4818 2.9300 2.9300 6.5585 6.5585 6.6834 6.6834 6.8173 6.8173 7.5431 7.5431 7.7131 7.7131 7.7383 7.7383 8.9653 8.9653 10.5506 10.5506 11.3221 11.3221 11.8665 11.8665 13.0889 13.0889 14.1919 14.1919 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3669 -15.3669 -8.6994 -8.6994 -8.6103 -8.6103 -8.4777 -8.4777 -7.3796 -7.3796 -6.3412 -6.3412 -6.0474 -6.0474 -6.0285 -6.0285 -6.0105 -6.0105 -2.4917 -2.4917 -1.4049 -1.4049 1.4818 1.4818 2.9300 2.9300 6.5585 6.5585 6.6834 6.6834 6.8173 6.8173 7.5431 7.5431 7.7131 7.7131 7.7383 7.7383 8.9653 8.9653 10.5506 10.5506 11.3221 11.3221 11.8665 11.8665 13.0889 13.0889 14.1919 14.1919 k = 0.0135 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3665 -15.3665 -8.6993 -8.6993 -8.6103 -8.6103 -8.4778 -8.4778 -7.3809 -7.3809 -6.3443 -6.3443 -6.0473 -6.0473 -6.0285 -6.0285 -6.0105 -6.0105 -2.4880 -2.4880 -1.4014 -1.4014 1.4821 1.4821 2.9293 2.9293 6.5585 6.5585 6.6827 6.6827 6.8164 6.8164 7.5466 7.5466 7.7112 7.7112 7.7364 7.7364 8.9635 8.9635 10.5538 10.5538 11.3185 11.3185 11.8626 11.8626 13.0879 13.0879 14.1900 14.1900 k = 0.0270 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3654 -15.3654 -8.6989 -8.6989 -8.6103 -8.6103 -8.4780 -8.4780 -7.3851 -7.3851 -6.3533 -6.3533 -6.0470 -6.0470 -6.0284 -6.0284 -6.0104 -6.0104 -2.4771 -2.4771 -1.3908 -1.3908 1.4830 1.4830 2.9275 2.9275 6.5584 6.5584 6.6805 6.6805 6.8138 6.8138 7.5570 7.5570 7.7053 7.7053 7.7310 7.7310 8.9580 8.9580 10.5634 10.5634 11.3077 11.3077 11.8514 11.8514 13.0849 13.0849 14.1842 14.1842 k = 0.0405 0.5000-0.0000 ( 2902 PWs) bands (ev): -15.3637 -15.3637 -8.6982 -8.6982 -8.6103 -8.6103 -8.4784 -8.4784 -7.3922 -7.3922 -6.3679 -6.3679 -6.0465 -6.0465 -6.0282 -6.0282 -6.0102 -6.0102 -2.4595 -2.4595 -1.3729 -1.3729 1.4847 1.4847 2.9244 2.9244 6.5582 6.5582 6.6765 6.6765 6.8103 6.8103 7.5739 7.5739 7.6948 7.6948 7.7231 7.7231 8.9488 8.9488 10.5792 10.5792 11.2890 11.2890 11.8336 11.8336 13.0800 13.0800 14.1745 14.1745 k = 0.0541 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3612 -15.3612 -8.6973 -8.6973 -8.6103 -8.6103 -8.4789 -8.4789 -7.4022 -7.4022 -6.3876 -6.3876 -6.0459 -6.0459 -6.0280 -6.0280 -6.0099 -6.0099 -2.4362 -2.4362 -1.3472 -1.3472 1.4869 1.4869 2.9201 2.9201 6.5579 6.5579 6.6704 6.6704 6.8070 6.8070 7.5963 7.5963 7.6791 7.6791 7.7132 7.7132 8.9360 8.9360 10.6008 10.6008 11.2616 11.2616 11.8104 11.8104 13.0732 13.0732 14.1612 14.1612 k = 0.0676 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3580 -15.3580 -8.6961 -8.6961 -8.6103 -8.6103 -8.4796 -8.4796 -7.4153 -7.4153 -6.4117 -6.4117 -6.0451 -6.0451 -6.0277 -6.0277 -6.0094 -6.0094 -2.4082 -2.4082 -1.3133 -1.3133 1.4898 1.4898 2.9145 2.9145 6.5574 6.5574 6.6620 6.6620 6.8049 6.8049 7.6234 7.6234 7.6586 7.6586 7.7020 7.7020 8.9198 8.9198 10.6276 10.6276 11.2244 11.2244 11.7836 11.7836 13.0648 13.0648 14.1444 14.1444 k = 0.0811 0.5000-0.0000 ( 2902 PWs) bands (ev): -15.3542 -15.3542 -8.6947 -8.6947 -8.6104 -8.6104 -8.4804 -8.4804 -7.4315 -7.4315 -6.4392 -6.4392 -6.0442 -6.0442 -6.0274 -6.0274 -6.0088 -6.0088 -2.3768 -2.3768 -1.2705 -1.2705 1.4934 1.4934 2.9078 2.9078 6.5568 6.5568 6.6514 6.6514 6.8046 6.8046 7.6319 7.6319 7.6558 7.6558 7.6892 7.6892 8.9001 8.9001 10.6590 10.6590 11.1764 11.1764 11.7548 11.7548 13.0550 13.0550 14.1242 14.1242 k = 0.0946 0.5000-0.0000 ( 2898 PWs) bands (ev): -15.3497 -15.3497 -8.6930 -8.6930 -8.6104 -8.6104 -8.4814 -8.4814 -7.4511 -7.4511 -6.4695 -6.4695 -6.0433 -6.0433 -6.0270 -6.0270 -6.0081 -6.0081 -2.3435 -2.3435 -1.2183 -1.2183 1.4976 1.4976 2.8999 2.8999 6.5559 6.5559 6.6389 6.6389 6.8066 6.8066 7.6030 7.6030 7.6747 7.6747 7.6898 7.6898 8.8772 8.8772 10.6941 10.6941 11.1169 11.1169 11.7257 11.7257 13.0439 13.0439 14.1009 14.1009 k = 0.1081 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3446 -15.3446 -8.6911 -8.6911 -8.6104 -8.6104 -8.4825 -8.4825 -7.4742 -7.4742 -6.5014 -6.5014 -6.0424 -6.0424 -6.0265 -6.0265 -6.0072 -6.0072 -2.3095 -2.3095 -1.1563 -1.1563 1.5024 1.5024 2.8908 2.8908 6.5546 6.5546 6.6254 6.6254 6.8108 6.8108 7.5703 7.5703 7.6590 7.6590 7.7263 7.7263 8.8511 8.8511 10.7311 10.7311 11.0464 11.0464 11.6978 11.6978 13.0318 13.0318 14.0748 14.0748 k = 0.1216 0.5000-0.0000 ( 2914 PWs) bands (ev): -15.3389 -15.3389 -8.6890 -8.6890 -8.6105 -8.6105 -8.4838 -8.4838 -7.5009 -7.5009 -6.5341 -6.5341 -6.0414 -6.0414 -6.0260 -6.0260 -6.0060 -6.0060 -2.2760 -2.2760 -1.0841 -1.0841 1.5079 1.5079 2.8806 2.8806 6.5530 6.5530 6.6114 6.6114 6.8169 6.8169 7.5347 7.5347 7.6416 7.6416 7.7644 7.7644 8.8221 8.8221 10.7654 10.7654 10.9689 10.9689 11.6717 11.6717 13.0190 13.0190 14.0460 14.0460 k = 0.1351 0.5000-0.0000 ( 2914 PWs) bands (ev): -15.3327 -15.3327 -8.6867 -8.6867 -8.6105 -8.6105 -8.4852 -8.4852 -7.5311 -7.5311 -6.5668 -6.5668 -6.0405 -6.0405 -6.0255 -6.0255 -6.0045 -6.0045 -2.2439 -2.2439 -1.0017 -1.0017 1.5140 1.5140 2.8694 2.8694 6.5509 6.5509 6.5978 6.5978 6.8249 6.8249 7.4968 7.4968 7.6228 7.6228 7.8035 7.8035 8.7903 8.7903 10.7749 10.7749 10.9063 10.9063 11.6479 11.6479 13.0059 13.0059 14.0150 14.0150 k = 0.1486 0.5000-0.0000 ( 2916 PWs) bands (ev): -15.3260 -15.3260 -8.6842 -8.6842 -8.6106 -8.6106 -8.4868 -8.4868 -7.5649 -7.5649 -6.5988 -6.5988 -6.0397 -6.0397 -6.0250 -6.0250 -6.0028 -6.0028 -2.2137 -2.2137 -0.9095 -0.9095 1.5208 1.5208 2.8572 2.8572 6.5483 6.5483 6.5850 6.5850 6.8343 6.8343 7.4573 7.4573 7.6027 7.6027 7.8429 7.8429 8.7561 8.7561 10.7096 10.7096 10.9087 10.9087 11.6264 11.6264 12.9929 12.9929 13.9820 13.9820 k = 0.1622 0.5000-0.0000 ( 2922 PWs) bands (ev): -15.3187 -15.3187 -8.6815 -8.6815 -8.6106 -8.6106 -8.4885 -8.4885 -7.6021 -7.6021 -6.6295 -6.6295 -6.0390 -6.0390 -6.0245 -6.0245 -6.0008 -6.0008 -2.1859 -2.1859 -0.8077 -0.8077 1.5282 1.5282 2.8441 2.8441 6.5452 6.5452 6.5734 6.5734 6.8451 6.8451 7.4166 7.4166 7.5815 7.5815 7.8820 7.8820 8.7197 8.7197 10.5999 10.5999 10.9463 10.9463 11.6070 11.6070 12.9803 12.9803 13.9473 13.9473 k = 0.1757 0.5000-0.0000 ( 2914 PWs) bands (ev): -15.3111 -15.3111 -8.6786 -8.6786 -8.6107 -8.6107 -8.4903 -8.4903 -7.6425 -7.6425 -6.6584 -6.6584 -6.0383 -6.0383 -6.0241 -6.0241 -5.9984 -5.9984 -2.1605 -2.1605 -0.6972 -0.6972 1.5363 1.5363 2.8301 2.8301 6.5418 6.5418 6.5630 6.5630 6.8569 6.8569 7.3752 7.3752 7.5593 7.5593 7.9201 7.9201 8.6815 8.6815 10.4736 10.4736 10.9916 10.9916 11.5893 11.5893 12.9686 12.9686 13.9112 13.9112 k = 0.1892 0.5000-0.0000 ( 2914 PWs) bands (ev): -15.3031 -15.3031 -8.6756 -8.6756 -8.6108 -8.6108 -8.4923 -8.4923 -7.6858 -7.6858 -6.6853 -6.6853 -6.0378 -6.0378 -6.0237 -6.0237 -5.9958 -5.9958 -2.1376 -2.1376 -0.5786 -0.5786 1.5450 1.5450 2.8154 2.8154 6.5384 6.5384 6.5536 6.5536 6.8696 6.8696 7.3338 7.3338 7.5362 7.5362 7.9566 7.9566 8.6422 8.6422 10.3372 10.3372 11.0388 11.0388 11.5732 11.5732 12.9581 12.9581 13.8741 13.8741 k = 0.2027 0.5000-0.0000 ( 2922 PWs) bands (ev): -15.2947 -15.2947 -8.6724 -8.6724 -8.6108 -8.6108 -8.4944 -8.4944 -7.7315 -7.7315 -6.7101 -6.7101 -6.0373 -6.0373 -6.0234 -6.0234 -5.9929 -5.9929 -2.1170 -2.1170 -0.4530 -0.4530 1.5544 1.5544 2.8001 2.8001 6.5347 6.5347 6.5454 6.5454 6.8831 6.8831 7.2928 7.2928 7.5125 7.5125 7.9905 7.9905 8.6023 8.6023 10.1931 10.1931 11.0861 11.0861 11.5584 11.5584 12.9493 12.9493 13.8362 13.8362 k = 0.2162 0.5000-0.0000 ( 2918 PWs) bands (ev): -15.2861 -15.2861 -8.6691 -8.6691 -8.6109 -8.6109 -8.4967 -8.4967 -7.7791 -7.7791 -6.7326 -6.7326 -6.0369 -6.0369 -6.0231 -6.0231 -5.9898 -5.9898 -2.0984 -2.0984 -0.3212 -0.3212 1.5643 1.5643 2.7844 2.7844 6.5282 6.5282 6.5409 6.5409 6.8972 6.8972 7.2529 7.2529 7.4883 7.4883 8.0208 8.0208 8.5631 8.5631 10.0428 10.0428 11.1323 11.1323 11.5448 11.5448 12.9425 12.9425 13.7978 13.7978 k = 0.2297 0.5000-0.0000 ( 2926 PWs) bands (ev): -15.2772 -15.2772 -8.6657 -8.6657 -8.6110 -8.6110 -8.4992 -8.4992 -7.8282 -7.8282 -6.7530 -6.7530 -6.0365 -6.0365 -6.0229 -6.0229 -5.9865 -5.9865 -2.0818 -2.0818 -0.1842 -0.1842 1.5749 1.5749 2.7684 2.7684 6.5173 6.5173 6.5412 6.5412 6.9117 6.9117 7.2146 7.2146 7.4638 7.4638 8.0459 8.0459 8.5259 8.5259 9.8877 9.8877 11.1767 11.1767 11.5321 11.5321 12.9381 12.9381 13.7593 13.7593 k = 0.2432 0.5000-0.0000 ( 2918 PWs) bands (ev): -15.2682 -15.2682 -8.6622 -8.6622 -8.6111 -8.6111 -8.5018 -8.5018 -7.8781 -7.8781 -6.7713 -6.7713 -6.0362 -6.0362 -6.0227 -6.0227 -5.9831 -5.9831 -2.0668 -2.0668 -0.0430 -0.0430 1.5862 1.5862 2.7523 2.7523 6.5033 6.5033 6.5450 6.5450 6.9264 6.9264 7.1787 7.1787 7.4392 7.4392 8.0637 8.0637 8.4929 8.4929 9.7290 9.7290 11.2187 11.2187 11.5204 11.5204 12.9364 12.9364 13.7208 13.7208 k = 0.2568 0.5000-0.0000 ( 2918 PWs) bands (ev): -15.2592 -15.2592 -8.6586 -8.6586 -8.6111 -8.6111 -8.5045 -8.5045 -7.9284 -7.9284 -6.7877 -6.7877 -6.0360 -6.0360 -6.0226 -6.0226 -5.9797 -5.9797 -2.0534 -2.0534 0.1014 0.1014 1.5980 1.5980 2.7365 2.7365 6.4860 6.4860 6.5518 6.5518 6.9409 6.9409 7.1458 7.1458 7.4147 7.4147 8.0717 8.0717 8.4665 8.4665 9.5678 9.5678 11.2578 11.2578 11.5095 11.5095 12.9376 12.9376 13.6828 13.6828 k = 0.2703 0.5000-0.0000 ( 2926 PWs) bands (ev): -15.2500 -15.2500 -8.6550 -8.6550 -8.6112 -8.6112 -8.5075 -8.5075 -7.9784 -7.9784 -6.8024 -6.8024 -6.0358 -6.0358 -6.0225 -6.0225 -5.9761 -5.9761 -2.0412 -2.0412 0.2480 0.2480 1.6105 1.6105 2.7212 2.7212 6.4651 6.4651 6.5615 6.5615 6.9551 6.9551 7.1167 7.1167 7.3903 7.3903 8.0675 8.0675 8.4494 8.4494 9.4052 9.4052 11.2935 11.2935 11.4993 11.4993 12.9418 12.9418 13.6453 13.6453 k = 0.2838 0.5000-0.0000 ( 2918 PWs) bands (ev): -15.2410 -15.2410 -8.6513 -8.6513 -8.6113 -8.6113 -8.5107 -8.5107 -8.0277 -8.0277 -6.8154 -6.8154 -6.0356 -6.0356 -6.0224 -6.0224 -5.9726 -5.9726 -2.0302 -2.0302 0.3957 0.3957 1.6235 1.6235 2.7067 2.7067 6.4400 6.4400 6.5743 6.5743 6.9682 6.9682 7.0924 7.0924 7.3664 7.3664 8.0500 8.0500 8.4425 8.4425 9.2423 9.2423 11.3257 11.3257 11.4899 11.4899 12.9491 12.9491 13.6088 13.6088 k = 0.2973 0.5000-0.0000 ( 2914 PWs) bands (ev): -15.2320 -15.2320 -8.6477 -8.6477 -8.6113 -8.6113 -8.5142 -8.5142 -8.0758 -8.0758 -6.8270 -6.8270 -6.0355 -6.0355 -6.0223 -6.0223 -5.9691 -5.9691 -2.0203 -2.0203 0.5434 0.5434 1.6371 1.6371 2.6936 2.6936 6.4103 6.4103 6.5901 6.5901 6.9793 6.9793 7.0741 7.0741 7.3431 7.3431 8.0203 8.0203 8.4448 8.4448 9.0803 9.0803 11.3542 11.3542 11.4811 11.4811 12.9593 12.9593 13.5735 13.5735 k = 0.3108 0.5000-0.0000 ( 2918 PWs) bands (ev): -15.2232 -15.2232 -8.6441 -8.6441 -8.6114 -8.6114 -8.5179 -8.5179 -8.1222 -8.1222 -6.8373 -6.8373 -6.0353 -6.0353 -6.0223 -6.0223 -5.9656 -5.9656 -2.0113 -2.0113 0.6897 0.6897 1.6513 1.6513 2.6823 2.6823 6.3757 6.3757 6.6089 6.6089 6.9871 6.9871 7.0633 7.0633 7.3204 7.3204 7.9810 7.9810 8.4540 8.4540 8.9204 8.9204 11.3789 11.3789 11.4731 11.4731 12.9721 12.9721 13.5396 13.5396 k = 0.3243 0.5000-0.0000 ( 2922 PWs) bands (ev): -15.2147 -15.2147 -8.6405 -8.6405 -8.6114 -8.6114 -8.5219 -8.5219 -8.1665 -8.1665 -6.8464 -6.8464 -6.0353 -6.0353 -6.0222 -6.0222 -5.9623 -5.9623 -2.0031 -2.0031 0.8332 0.8332 1.6661 1.6661 2.6736 2.6736 6.3362 6.3362 6.6307 6.6307 6.9906 6.9906 7.0608 7.0608 7.2987 7.2987 7.9346 7.9346 8.4673 8.4673 8.7639 8.7639 11.3998 11.3998 11.4656 11.4656 12.9873 12.9873 13.5073 13.5073 k = 0.3378 0.5000-0.0000 ( 2922 PWs) bands (ev): -15.2064 -15.2064 -8.6370 -8.6370 -8.6115 -8.6115 -8.5263 -8.5263 -8.2082 -8.2082 -6.8544 -6.8544 -6.0352 -6.0352 -6.0222 -6.0222 -5.9591 -5.9591 -1.9957 -1.9957 0.9722 0.9722 1.6814 1.6814 2.6681 2.6681 6.2917 6.2917 6.6555 6.6555 6.9910 6.9910 7.0654 7.0654 7.2779 7.2779 7.8834 7.8834 8.4816 8.4816 8.6131 8.6131 11.4173 11.4173 11.4589 11.4589 13.0044 13.0044 13.4768 13.4768 k = 0.3514 0.5000-0.0000 ( 2926 PWs) bands (ev): -15.1985 -15.1985 -8.6336 -8.6336 -8.6115 -8.6115 -8.5312 -8.5312 -8.2470 -8.2470 -6.8615 -6.8615 -6.0351 -6.0351 -6.0221 -6.0221 -5.9560 -5.9560 -1.9891 -1.9891 1.1049 1.1049 1.6972 1.6972 2.6668 2.6668 6.2425 6.2425 6.6832 6.6832 6.9910 6.9910 7.0738 7.0738 7.2583 7.2583 7.8289 7.8289 8.4535 8.4535 8.5111 8.5111 11.4312 11.4312 11.4531 11.4531 13.0228 13.0228 13.4485 13.4485 k = 0.3649 0.5000-0.0000 ( 2924 PWs) bands (ev): -15.1911 -15.1911 -8.6304 -8.6304 -8.6115 -8.6115 -8.5365 -8.5365 -8.2826 -8.2826 -6.8678 -6.8678 -6.0351 -6.0351 -6.0221 -6.0221 -5.9531 -5.9531 -1.9831 -1.9831 1.2290 1.2290 1.7137 1.7137 2.6707 2.6707 6.1891 6.1891 6.7138 6.7138 6.9925 6.9925 7.0840 7.0840 7.2400 7.2400 7.7723 7.7723 8.3197 8.3197 8.5215 8.5215 11.4402 11.4402 11.4499 11.4499 13.0419 13.0419 13.4225 13.4225 k = 0.3784 0.5000-0.0000 ( 2928 PWs) bands (ev): -15.1842 -15.1842 -8.6273 -8.6273 -8.6114 -8.6114 -8.5424 -8.5424 -8.3145 -8.3145 -6.8732 -6.8732 -6.0351 -6.0351 -6.0221 -6.0221 -5.9504 -5.9504 -1.9778 -1.9778 1.3422 1.3422 1.7309 1.7309 2.6807 2.6807 6.1322 6.1322 6.7470 6.7470 6.9965 6.9965 7.0945 7.0945 7.2231 7.2231 7.7145 7.7145 8.1879 8.1879 8.5371 8.5371 11.4395 11.4395 11.4544 11.4544 13.0610 13.0610 13.3990 13.3990 k = 0.3919 0.5000-0.0000 ( 2924 PWs) bands (ev): -15.1778 -15.1778 -8.6244 -8.6244 -8.6114 -8.6114 -8.5489 -8.5489 -8.3426 -8.3426 -6.8779 -6.8779 -6.0350 -6.0350 -6.0221 -6.0221 -5.9479 -5.9479 -1.9731 -1.9731 1.4421 1.4421 1.7488 1.7488 2.6977 2.6977 6.0727 6.0727 6.7828 6.7828 7.0031 7.0031 7.1047 7.1047 7.2076 7.2076 7.6560 7.6560 8.0643 8.0643 8.5523 8.5523 11.4356 11.4356 11.4605 11.4605 13.0794 13.0794 13.3782 13.3782 k = 0.4054 0.5000-0.0000 ( 2924 PWs) bands (ev): -15.1720 -15.1720 -8.6218 -8.6218 -8.6112 -8.6112 -8.5558 -8.5558 -8.3667 -8.3667 -6.8819 -6.8819 -6.0350 -6.0350 -6.0220 -6.0220 -5.9457 -5.9457 -1.9689 -1.9689 1.5267 1.5267 1.7676 1.7676 2.7218 2.7218 6.0121 6.0121 6.8210 6.8210 7.0123 7.0123 7.1142 7.1142 7.1938 7.1938 7.5975 7.5975 7.9504 7.9504 8.5662 8.5662 11.4319 11.4319 11.4653 11.4653 13.0966 13.0966 13.3603 13.3603 k = 0.4189 0.5000-0.0000 ( 2924 PWs) bands (ev): -15.1669 -15.1669 -8.6194 -8.6194 -8.6110 -8.6110 -8.5631 -8.5631 -8.3868 -8.3868 -6.8854 -6.8854 -6.0350 -6.0350 -6.0220 -6.0220 -5.9437 -5.9437 -1.9654 -1.9654 1.5948 1.5948 1.7871 1.7871 2.7524 2.7524 5.9521 5.9521 6.8613 6.8613 7.0239 7.0239 7.1228 7.1228 7.1816 7.1816 7.5394 7.5394 7.8472 7.8472 8.5786 8.5786 11.4285 11.4285 11.4689 11.4689 13.1119 13.1119 13.3454 13.3454 k = 0.4324 0.5000-0.0000 ( 2928 PWs) bands (ev): -15.1625 -15.1625 -8.6174 -8.6174 -8.6107 -8.6107 -8.5705 -8.5705 -8.4031 -8.4031 -6.8882 -6.8882 -6.0350 -6.0350 -6.0220 -6.0220 -5.9420 -5.9420 -1.9624 -1.9624 1.6466 1.6466 1.8066 1.8066 2.7875 2.7875 5.8946 5.8946 6.9034 6.9034 7.0375 7.0375 7.1302 7.1302 7.1713 7.1713 7.4822 7.4822 7.7556 7.7556 8.5893 8.5893 11.4256 11.4256 11.4713 11.4713 13.1248 13.1248 13.3337 13.3337 k = 0.4459 0.5000-0.0000 ( 2932 PWs) bands (ev): -15.1589 -15.1589 -8.6157 -8.6157 -8.6102 -8.6102 -8.5775 -8.5775 -8.4157 -8.4157 -6.8905 -6.8905 -6.0350 -6.0350 -6.0220 -6.0220 -5.9406 -5.9406 -1.9600 -1.9600 1.6840 1.6840 1.8248 1.8248 2.8242 2.8242 5.8423 5.8423 6.9467 6.9467 7.0525 7.0525 7.1363 7.1363 7.1628 7.1628 7.4265 7.4265 7.6769 7.6769 8.5982 8.5982 11.4233 11.4233 11.4729 11.4729 13.1351 13.1351 13.3249 13.3249 k = 0.4595 0.5000-0.0000 ( 2928 PWs) bands (ev): -15.1560 -15.1560 -8.6145 -8.6145 -8.6097 -8.6097 -8.5837 -8.5837 -8.4250 -8.4250 -6.8922 -6.8922 -6.0350 -6.0350 -6.0220 -6.0220 -5.9395 -5.9395 -1.9581 -1.9581 1.7097 1.7097 1.8400 1.8400 2.8586 2.8586 5.7977 5.7977 6.9899 6.9899 7.0680 7.0680 7.1407 7.1407 7.1563 7.1563 7.3732 7.3732 7.6123 7.6123 8.6052 8.6052 11.4214 11.4214 11.4739 11.4739 13.1427 13.1427 13.3188 13.3188 k = 0.4730 0.5000-0.0000 ( 2934 PWs) bands (ev): -15.1539 -15.1539 -8.6135 -8.6135 -8.6092 -8.6092 -8.5887 -8.5887 -8.4314 -8.4314 -6.8935 -6.8935 -6.0350 -6.0350 -6.0220 -6.0220 -5.9388 -5.9388 -1.9568 -1.9568 1.7265 1.7265 1.8513 1.8513 2.8867 2.8867 5.7634 5.7634 7.0302 7.0302 7.0829 7.0829 7.1431 7.1431 7.1522 7.1522 7.3246 7.3246 7.5637 7.5637 8.6102 8.6102 11.4201 11.4201 11.4745 11.4745 13.1478 13.1478 13.3149 13.3149 k = 0.4865 0.5000-0.0000 ( 2958 PWs) bands (ev): -15.1527 -15.1527 -8.6129 -8.6129 -8.6087 -8.6087 -8.5920 -8.5920 -8.4351 -8.4351 -6.8942 -6.8942 -6.0350 -6.0350 -6.0220 -6.0220 -5.9383 -5.9383 -1.9560 -1.9560 1.7360 1.7360 1.8580 1.8580 2.9051 2.9051 5.7419 5.7419 7.0607 7.0607 7.0965 7.0965 7.1435 7.1435 7.1506 7.1506 7.2860 7.2860 7.5331 7.5331 8.6133 8.6133 11.4193 11.4193 11.4748 11.4748 13.1506 13.1506 13.3129 13.3129 k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev): -15.1523 -15.1523 -8.6127 -8.6127 -8.6085 -8.6085 -8.5932 -8.5932 -8.4363 -8.4363 -6.8944 -6.8944 -6.0351 -6.0351 -6.0220 -6.0220 -5.9381 -5.9381 -1.9557 -1.9557 1.7390 1.7390 1.8602 1.8602 2.9115 2.9115 5.7345 5.7345 7.0716 7.0716 7.1040 7.1040 7.1433 7.1433 7.1503 7.1503 7.2699 7.2699 7.5226 7.5226 8.6143 8.6143 11.4190 11.4190 11.4749 11.4749 13.1516 13.1516 13.3122 13.3122 k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev): -15.1523 -15.1523 -8.6127 -8.6127 -8.6085 -8.6085 -8.5932 -8.5932 -8.4363 -8.4363 -6.8944 -6.8944 -6.0351 -6.0351 -6.0220 -6.0220 -5.9381 -5.9381 -1.9557 -1.9557 1.7390 1.7390 1.8602 1.8602 2.9115 2.9115 5.7345 5.7345 7.0716 7.0716 7.1040 7.1040 7.1433 7.1433 7.1503 7.1503 7.2699 7.2699 7.5226 7.5226 8.6143 8.6143 11.4190 11.4190 11.4749 11.4749 13.1516 13.1516 13.3122 13.3122 k = 0.4904 0.4904-0.0000 ( 2954 PWs) bands (ev): -15.1527 -15.1527 -8.6129 -8.6129 -8.6087 -8.6087 -8.5920 -8.5920 -8.4350 -8.4350 -6.8942 -6.8942 -6.0350 -6.0350 -6.0220 -6.0220 -5.9383 -5.9383 -1.9560 -1.9560 1.7359 1.7359 1.8580 1.8580 2.9050 2.9050 5.7420 5.7420 7.0588 7.0588 7.0987 7.0987 7.1436 7.1436 7.1506 7.1506 7.2855 7.2855 7.5333 7.5333 8.6133 8.6133 11.4193 11.4193 11.4748 11.4748 13.1506 13.1506 13.3129 13.3129 k = 0.4808 0.4808-0.0000 ( 2928 PWs) bands (ev): -15.1540 -15.1540 -8.6136 -8.6136 -8.6091 -8.6091 -8.5886 -8.5886 -8.4314 -8.4314 -6.8934 -6.8934 -6.0350 -6.0350 -6.0220 -6.0220 -5.9388 -5.9388 -1.9568 -1.9568 1.7261 1.7261 1.8519 1.8519 2.8856 2.8856 5.7641 5.7641 7.0197 7.0197 7.0980 7.0980 7.1445 7.1445 7.1515 7.1515 7.3179 7.3179 7.5655 7.5655 8.6102 8.6102 11.4201 11.4201 11.4745 11.4745 13.1478 13.1478 13.3149 13.3149 k = 0.4712 0.4712-0.0000 ( 2928 PWs) bands (ev): -15.1561 -15.1561 -8.6146 -8.6146 -8.6095 -8.6095 -8.5832 -8.5832 -8.4254 -8.4254 -6.8922 -6.8922 -6.0350 -6.0350 -6.0220 -6.0220 -5.9396 -5.9396 -1.9581 -1.9581 1.7083 1.7083 1.8431 1.8431 2.8542 2.8542 5.8000 5.8000 6.9697 6.9697 7.1027 7.1027 7.1461 7.1461 7.1533 7.1533 7.3515 7.3515 7.6179 7.6179 8.6051 8.6051 11.4214 11.4214 11.4740 11.4740 13.1430 13.1430 13.3186 13.3186 k = 0.4615 0.4615-0.0000 ( 2932 PWs) bands (ev): -15.1590 -15.1590 -8.6159 -8.6159 -8.6098 -8.6098 -8.5759 -8.5759 -8.4171 -8.4171 -6.8905 -6.8905 -6.0350 -6.0350 -6.0220 -6.0220 -5.9407 -5.9407 -1.9601 -1.9601 1.6813 1.6813 1.8331 1.8331 2.8118 2.8118 5.8482 5.8482 6.9182 6.9182 7.1096 7.1096 7.1495 7.1495 7.1563 7.1563 7.3828 7.3828 7.6868 7.6868 8.5981 8.5981 11.4230 11.4230 11.4733 11.4733 13.1361 13.1361 13.3243 13.3243 k = 0.4519 0.4519-0.0000 ( 2924 PWs) bands (ev): -15.1628 -15.1628 -8.6174 -8.6174 -8.6100 -8.6100 -8.5667 -8.5667 -8.4066 -8.4066 -6.8882 -6.8882 -6.0350 -6.0350 -6.0220 -6.0220 -5.9421 -5.9421 -1.9625 -1.9625 1.6442 1.6442 1.8230 1.8230 2.7599 2.7599 5.9069 5.9069 6.8687 6.8687 7.1157 7.1157 7.1564 7.1564 7.1613 7.1613 7.4131 7.4131 7.7676 7.7676 8.5891 8.5891 11.4251 11.4251 11.4724 11.4724 13.1272 13.1272 13.3323 13.3323 k = 0.4423 0.4423-0.0000 ( 2916 PWs) bands (ev): -15.1673 -15.1673 -8.6190 -8.6190 -8.6102 -8.6102 -8.5558 -8.5558 -8.3939 -8.3939 -6.8855 -6.8855 -6.0350 -6.0350 -6.0220 -6.0220 -5.9437 -5.9437 -1.9655 -1.9655 1.5971 1.5971 1.8128 1.8128 2.7001 2.7001 5.9741 5.9741 6.8229 6.8229 7.1190 7.1190 7.1639 7.1639 7.1738 7.1738 7.4441 7.4441 7.8566 7.8566 8.5784 8.5784 11.4272 11.4272 11.4712 11.4712 13.1167 13.1167 13.3429 13.3429 k = 0.4327 0.4327-0.0000 ( 2916 PWs) bands (ev): -15.1726 -15.1726 -8.6207 -8.6207 -8.6103 -8.6103 -8.5431 -8.5431 -8.3793 -8.3793 -6.8822 -6.8822 -6.0350 -6.0350 -6.0220 -6.0220 -5.9457 -5.9457 -1.9692 -1.9692 1.5405 1.5405 1.8021 1.8021 2.6341 2.6341 6.0475 6.0475 6.7816 6.7816 7.1195 7.1195 7.1703 7.1703 7.1959 7.1959 7.4769 7.4769 7.9515 7.9515 8.5660 8.5660 11.4294 11.4294 11.4700 11.4700 13.1048 13.1048 13.3562 13.3562 k = 0.4231 0.4231-0.0000 ( 2928 PWs) bands (ev): -15.1787 -15.1787 -8.6222 -8.6222 -8.6104 -8.6104 -8.5287 -8.5287 -8.3627 -8.3627 -6.8784 -6.8784 -6.0350 -6.0350 -6.0220 -6.0220 -5.9478 -5.9478 -1.9734 -1.9734 1.4754 1.4754 1.7901 1.7901 2.5635 2.5635 6.1248 6.1248 6.7452 6.7452 7.1182 7.1182 7.1774 7.1774 7.2257 7.2257 7.5120 7.5120 8.0507 8.0507 8.5520 8.5520 11.4311 11.4311 11.4689 11.4689 13.0924 13.0924 13.3721 13.3721 k = 0.4135 0.4135-0.0000 ( 2932 PWs) bands (ev): -15.1855 -15.1855 -8.6237 -8.6237 -8.6105 -8.6105 -8.5126 -8.5126 -8.3442 -8.3442 -6.8740 -6.8740 -6.0351 -6.0351 -6.0220 -6.0220 -5.9502 -5.9502 -1.9781 -1.9781 1.4026 1.4026 1.7758 1.7758 2.4902 2.4902 6.2037 6.2037 6.7142 6.7142 7.1160 7.1160 7.1854 7.1854 7.2632 7.2632 7.5495 7.5495 8.1529 8.1529 8.5368 8.5368 11.4319 11.4319 11.4683 11.4683 13.0800 13.0800 13.3907 13.3907 k = 0.4038 0.4038-0.0000 ( 2926 PWs) bands (ev): -15.1930 -15.1930 -8.6251 -8.6251 -8.6106 -8.6106 -8.4950 -8.4950 -8.3239 -8.3239 -6.8691 -6.8691 -6.0351 -6.0351 -6.0220 -6.0220 -5.9527 -5.9527 -1.9836 -1.9836 1.3230 1.3230 1.7577 1.7577 2.4164 2.4164 6.2816 6.2816 6.6888 6.6888 7.1132 7.1132 7.1942 7.1942 7.3087 7.3087 7.5893 7.5893 8.2572 8.2572 8.5206 8.5206 11.4314 11.4314 11.4687 11.4687 13.0684 13.0684 13.4117 13.4117 k = 0.3942 0.3942-0.0000 ( 2924 PWs) bands (ev): -15.2011 -15.2011 -8.6263 -8.6263 -8.6107 -8.6107 -8.4757 -8.4757 -8.3018 -8.3018 -6.8636 -6.8636 -6.0351 -6.0351 -6.0220 -6.0220 -5.9554 -5.9554 -1.9896 -1.9896 1.2374 1.2374 1.7341 1.7341 2.3442 2.3442 6.3561 6.3561 6.6695 6.6695 7.1101 7.1101 7.2038 7.2038 7.3630 7.3630 7.6312 7.6312 8.3622 8.3622 8.5044 8.5044 11.4293 11.4293 11.4706 11.4706 13.0582 13.0582 13.4352 13.4352 k = 0.3846 0.3846-0.0000 ( 2928 PWs) bands (ev): -15.2099 -15.2099 -8.6274 -8.6274 -8.6107 -8.6107 -8.4550 -8.4550 -8.2780 -8.2780 -6.8575 -6.8575 -6.0351 -6.0351 -6.0219 -6.0219 -5.9583 -5.9583 -1.9963 -1.9963 1.1466 1.1466 1.7031 1.7031 2.2765 2.2765 6.4247 6.4247 6.6569 6.6569 7.1070 7.1070 7.2143 7.2143 7.4264 7.4264 7.6749 7.6749 8.4553 8.4553 8.5007 8.5007 11.4257 11.4257 11.4737 11.4737 13.0503 13.0503 13.4610 13.4610 k = 0.3750 0.3750-0.0000 ( 2926 PWs) bands (ev): -15.2192 -15.2192 -8.6283 -8.6283 -8.6108 -8.6108 -8.4329 -8.4329 -8.2526 -8.2526 -6.8507 -6.8507 -6.0352 -6.0352 -6.0218 -6.0218 -5.9612 -5.9612 -2.0037 -2.0037 1.0514 1.0514 1.6621 1.6621 2.2159 2.2159 6.4845 6.4845 6.6526 6.6526 7.1039 7.1039 7.2256 7.2256 7.4992 7.4992 7.7198 7.7198 8.4594 8.4594 8.5864 8.5864 11.4211 11.4211 11.4781 11.4781 13.0451 13.0451 13.4889 13.4889 k = 0.3654 0.3654-0.0000 ( 2922 PWs) bands (ev): -15.2291 -15.2291 -8.6291 -8.6291 -8.6109 -8.6109 -8.4095 -8.4095 -8.2255 -8.2255 -6.8433 -6.8433 -6.0352 -6.0352 -6.0218 -6.0218 -5.9641 -5.9641 -2.0119 -2.0119 0.9525 0.9525 1.6095 1.6095 2.1648 2.1648 6.5316 6.5316 6.6595 6.6595 7.1010 7.1010 7.2377 7.2377 7.5806 7.5806 7.7654 7.7654 8.4428 8.4428 8.6934 8.6934 11.4161 11.4161 11.4834 11.4834 13.0431 13.0431 13.5189 13.5189 k = 0.3558 0.3558-0.0000 ( 2922 PWs) bands (ev): -15.2394 -15.2394 -8.6297 -8.6297 -8.6110 -8.6110 -8.3848 -8.3848 -8.1969 -8.1969 -6.8352 -6.8352 -6.0353 -6.0353 -6.0217 -6.0217 -5.9671 -5.9671 -2.0207 -2.0207 0.8505 0.8505 1.5444 1.5444 2.1243 2.1243 6.5630 6.5630 6.6801 6.6801 7.0984 7.0984 7.2505 7.2505 7.6692 7.6692 7.8114 7.8114 8.4259 8.4259 8.8019 8.8019 11.4115 11.4115 11.4894 11.4894 13.0448 13.0448 13.5509 13.5509 k = 0.3462 0.3462-0.0000 ( 2922 PWs) bands (ev): -15.2503 -15.2503 -8.6302 -8.6302 -8.6111 -8.6111 -8.3590 -8.3590 -8.1669 -8.1669 -6.8263 -6.8263 -6.0354 -6.0354 -6.0215 -6.0215 -5.9701 -5.9701 -2.0303 -2.0303 0.7461 0.7461 1.4675 1.4675 2.0941 2.0941 6.5824 6.5824 6.7111 6.7111 7.0962 7.0962 7.2640 7.2640 7.7621 7.7621 7.8576 7.8576 8.4112 8.4112 8.9104 8.9104 11.4079 11.4079 11.4962 11.4962 13.0504 13.0504 13.5846 13.5846 k = 0.3365 0.3365-0.0000 ( 2918 PWs) bands (ev): -15.2615 -15.2615 -8.6306 -8.6306 -8.6112 -8.6112 -8.3320 -8.3320 -8.1356 -8.1356 -6.8166 -6.8166 -6.0354 -6.0354 -6.0214 -6.0214 -5.9730 -5.9730 -2.0408 -2.0408 0.6400 0.6400 1.3806 1.3806 2.0728 2.0728 6.5970 6.5970 6.7455 6.7455 7.0945 7.0945 7.2782 7.2782 7.8530 7.8530 7.9058 7.9058 8.4015 8.4015 9.0187 9.0187 11.4062 11.4062 11.5036 11.5036 13.0602 13.0602 13.6201 13.6201 k = 0.3269 0.3269-0.0000 ( 2918 PWs) bands (ev): -15.2730 -15.2730 -8.6308 -8.6308 -8.6114 -8.6114 -8.3040 -8.3040 -8.1032 -8.1032 -6.8060 -6.8060 -6.0355 -6.0355 -6.0212 -6.0212 -5.9759 -5.9759 -2.0521 -2.0521 0.5326 0.5326 1.2857 1.2857 2.0586 2.0586 6.6112 6.6112 6.7792 6.7792 7.0935 7.0935 7.2930 7.2930 7.9230 7.9230 7.9681 7.9681 8.4018 8.4018 9.1266 9.1266 11.4071 11.4071 11.5117 11.5117 13.0743 13.0743 13.6572 13.6572 k = 0.3173 0.3173-0.0000 ( 2934 PWs) bands (ev): -15.2849 -15.2849 -8.6310 -8.6310 -8.6116 -8.6116 -8.2751 -8.2751 -8.0696 -8.0696 -6.7945 -6.7945 -6.0356 -6.0356 -6.0210 -6.0210 -5.9786 -5.9786 -2.0643 -2.0643 0.4245 0.4245 1.1847 1.1847 2.0500 2.0500 6.6269 6.6269 6.8109 6.8109 7.0931 7.0931 7.3083 7.3083 7.9677 7.9677 8.0381 8.0381 8.4209 8.4209 9.2338 9.2338 11.4114 11.4114 11.5206 11.5206 13.0926 13.0926 13.6957 13.6957 k = 0.3077 0.3077-0.0000 ( 2934 PWs) bands (ev): -15.2971 -15.2971 -8.6310 -8.6310 -8.6117 -8.6117 -8.2452 -8.2452 -8.0352 -8.0352 -6.7819 -6.7819 -6.0356 -6.0356 -6.0207 -6.0207 -5.9812 -5.9812 -2.0775 -2.0775 0.3161 0.3161 1.0790 1.0790 2.0458 2.0458 6.6448 6.6448 6.8402 6.8402 7.0936 7.0936 7.3242 7.3242 8.0031 8.0031 8.0874 8.0874 8.4693 8.4693 9.3406 9.3406 11.4197 11.4197 11.5303 11.5303 13.1153 13.1153 13.7356 13.7356 k = 0.2981 0.2981-0.0000 ( 2934 PWs) bands (ev): -15.3094 -15.3094 -8.6310 -8.6310 -8.6120 -8.6120 -8.2144 -8.2144 -8.0001 -8.0001 -6.7682 -6.7682 -6.0356 -6.0356 -6.0205 -6.0205 -5.9837 -5.9837 -2.0918 -2.0918 0.2079 0.2079 0.9699 0.9699 2.0450 2.0450 6.6650 6.6650 6.8672 6.8672 7.0950 7.0950 7.3406 7.3406 8.0325 8.0325 8.1093 8.1093 8.5488 8.5488 9.4469 9.4469 11.4325 11.4325 11.5411 11.5411 13.1422 13.1422 13.7767 13.7767 k = 0.2885 0.2885-0.0000 ( 2938 PWs) bands (ev): -15.3219 -15.3219 -8.6309 -8.6309 -8.6122 -8.6122 -8.1829 -8.1829 -7.9645 -7.9645 -6.7532 -6.7532 -6.0356 -6.0356 -6.0202 -6.0202 -5.9861 -5.9861 -2.1071 -2.1071 0.1003 0.1003 0.8583 0.8583 2.0470 2.0470 6.6876 6.6876 6.8921 6.8921 7.0974 7.0974 7.3575 7.3575 8.0560 8.0560 8.1110 8.1110 8.6506 8.6506 9.5529 9.5529 11.4501 11.4501 11.5534 11.5534 13.1732 13.1732 13.8190 13.8190 k = 0.2788 0.2788-0.0000 ( 2926 PWs) bands (ev): -15.3346 -15.3346 -8.6308 -8.6308 -8.6125 -8.6125 -8.1507 -8.1507 -7.9286 -7.9286 -6.7369 -6.7369 -6.0355 -6.0355 -6.0199 -6.0199 -5.9882 -5.9882 -2.1236 -2.1236 -0.0062 -0.0062 0.7449 0.7449 2.0513 2.0513 6.7121 6.7121 6.9152 6.9152 7.1010 7.1010 7.3747 7.3747 8.0732 8.0732 8.1012 8.1012 8.7651 8.7651 9.6588 9.6588 11.4721 11.4721 11.5677 11.5677 13.2083 13.2083 13.8624 13.8624 k = 0.2692 0.2692-0.0000 ( 2923 PWs) bands (ev): -15.3472 -15.3472 -8.6306 -8.6306 -8.6128 -8.6128 -8.1179 -8.1179 -7.8926 -7.8926 -6.7191 -6.7191 -6.0353 -6.0353 -6.0195 -6.0195 -5.9902 -5.9902 -2.1414 -2.1414 -0.1112 -0.1112 0.6304 0.6304 2.0576 2.0576 6.7384 6.7384 6.9367 6.9367 7.1056 7.1056 7.3923 7.3923 8.0829 8.0829 8.0862 8.0862 8.8862 8.8862 9.7648 9.7648 11.4974 11.4974 11.5854 11.5854 13.2474 13.2474 13.9067 13.9067 k = 0.2596 0.2596-0.0000 ( 2923 PWs) bands (ev): -15.3600 -15.3600 -8.6304 -8.6304 -8.6131 -8.6131 -8.0844 -8.0844 -7.8568 -7.8568 -6.6998 -6.6998 -6.0351 -6.0351 -6.0191 -6.0191 -5.9920 -5.9920 -2.1605 -2.1605 -0.2145 -0.2145 0.5152 0.5152 2.0655 2.0655 6.7660 6.7660 6.9569 6.9569 7.1114 7.1114 7.4101 7.4101 8.0657 8.0657 8.0882 8.0882 9.0104 9.0104 9.8712 9.8712 11.5239 11.5239 11.6087 11.6087 13.2904 13.2904 13.9520 13.9520 k = 0.2500 0.2500-0.0000 ( 2929 PWs) bands (ev): -15.3726 -15.3726 -8.6301 -8.6301 -8.6134 -8.6134 -8.0505 -8.0505 -7.8214 -7.8214 -6.6787 -6.6787 -6.0348 -6.0348 -6.0187 -6.0187 -5.9936 -5.9936 -2.1811 -2.1811 -0.3156 -0.3156 0.3998 0.3998 2.0749 2.0749 6.7944 6.7944 6.9763 6.9763 7.1184 7.1184 7.4282 7.4282 8.0448 8.0448 8.0856 8.0856 9.1358 9.1358 9.9782 9.9782 11.5489 11.5489 11.6400 11.6400 13.3372 13.3372 13.9980 13.9980 k = 0.2404 0.2404-0.0000 ( 2923 PWs) bands (ev): -15.3853 -15.3853 -8.6298 -8.6298 -8.6138 -8.6138 -8.0162 -8.0162 -7.7866 -7.7866 -6.6558 -6.6558 -6.0344 -6.0344 -6.0183 -6.0183 -5.9950 -5.9950 -2.2033 -2.2033 -0.4140 -0.4140 0.2846 0.2846 2.0856 2.0856 6.8230 6.8230 6.9954 6.9954 7.1263 7.1263 7.4464 7.4464 8.0230 8.0230 8.0766 8.0766 9.2609 9.2609 10.0859 10.0859 11.5707 11.5707 11.6804 11.6804 13.3878 13.3878 14.0447 14.0447 k = 0.2308 0.2308-0.0000 ( 2925 PWs) bands (ev): -15.3978 -15.3978 -8.6295 -8.6295 -8.6142 -8.6142 -7.9816 -7.9816 -7.7527 -7.7527 -6.6309 -6.6309 -6.0339 -6.0339 -6.0178 -6.0178 -5.9963 -5.9963 -2.2272 -2.2272 -0.5096 -0.5096 0.1700 0.1700 2.0973 2.0973 6.8510 6.8510 7.0150 7.0150 7.1352 7.1352 7.4647 7.4647 8.0009 8.0009 8.0616 8.0616 9.3848 9.3848 10.1942 10.1942 11.5900 11.5900 11.7289 11.7289 13.4420 13.4420 14.0922 14.0922 k = 0.2212 0.2212-0.0000 ( 2929 PWs) bands (ev): -15.4101 -15.4101 -8.6292 -8.6292 -8.6147 -8.6147 -7.9468 -7.9468 -7.7200 -7.7200 -6.6041 -6.6041 -6.0332 -6.0332 -6.0173 -6.0173 -5.9974 -5.9974 -2.2528 -2.2528 -0.6019 -0.6019 0.0563 0.0563 2.1101 2.1101 6.8774 6.8774 7.0356 7.0356 7.1447 7.1447 7.4830 7.4830 7.9790 7.9790 8.0412 8.0412 9.5066 9.5066 10.3033 10.3033 11.6080 11.6080 11.7837 11.7837 13.4999 13.4999 14.1402 14.1402 k = 0.2115 0.2115-0.0000 ( 2919 PWs) bands (ev): -15.4222 -15.4222 -8.6288 -8.6288 -8.6152 -8.6152 -7.9119 -7.9119 -7.6886 -7.6886 -6.5751 -6.5751 -6.0325 -6.0325 -6.0168 -6.0168 -5.9983 -5.9983 -2.2803 -2.2803 -0.6906 -0.6906 -0.0561 -0.0561 2.1237 2.1237 6.9015 6.9015 7.0582 7.0582 7.1547 7.1547 7.5012 7.5012 7.9576 7.9576 8.0160 8.0160 9.6259 9.6259 10.4129 10.4129 11.6256 11.6256 11.8431 11.8431 13.5613 13.5613 14.1889 14.1889 k = 0.2019 0.2019-0.0000 ( 2927 PWs) bands (ev): -15.4341 -15.4341 -8.6285 -8.6285 -8.6157 -8.6157 -7.8769 -7.8769 -7.6586 -7.6586 -6.5441 -6.5441 -6.0317 -6.0317 -6.0162 -6.0162 -5.9991 -5.9991 -2.3098 -2.3098 -0.7754 -0.7754 -0.1669 -0.1669 2.1381 2.1381 6.9226 6.9226 7.0833 7.0833 7.1649 7.1649 7.5194 7.5194 7.9367 7.9367 7.9869 7.9869 9.7420 9.7420 10.5227 10.5227 11.6432 11.6432 11.9060 11.9060 13.6262 13.6262 14.2381 14.2381 k = 0.1923 0.1923-0.0000 ( 2927 PWs) bands (ev): -15.4457 -15.4457 -8.6282 -8.6282 -8.6162 -8.6162 -7.8421 -7.8421 -7.6303 -7.6303 -6.5111 -6.5111 -6.0307 -6.0307 -6.0156 -6.0156 -5.9997 -5.9997 -2.3413 -2.3413 -0.8560 -0.8560 -0.2758 -0.2758 2.1530 2.1530 6.9403 6.9403 7.1108 7.1108 7.1752 7.1752 7.5373 7.5373 7.9167 7.9167 7.9547 7.9547 9.8545 9.8545 10.6324 10.6324 11.6612 11.6612 11.9714 11.9714 13.6945 13.6945 14.2878 14.2878 k = 0.1827 0.1827-0.0000 ( 2925 PWs) bands (ev): -15.4570 -15.4570 -8.6278 -8.6278 -8.6167 -8.6167 -7.8076 -7.8076 -7.6038 -7.6038 -6.4760 -6.4760 -6.0297 -6.0297 -6.0149 -6.0149 -6.0002 -6.0002 -2.3749 -2.3749 -0.9321 -0.9321 -0.3825 -0.3825 2.1685 2.1685 6.9549 6.9549 7.1403 7.1403 7.1853 7.1853 7.5550 7.5550 7.8973 7.8973 7.9205 7.9205 9.9630 9.9630 10.7416 10.7416 11.6799 11.6799 12.0383 12.0383 13.7662 13.7662 14.3380 14.3380 k = 0.1731 0.1731-0.0000 ( 2923 PWs) bands (ev): -15.4680 -15.4680 -8.6275 -8.6275 -8.6173 -8.6173 -7.7734 -7.7734 -7.5791 -7.5791 -6.4391 -6.4391 -6.0286 -6.0286 -6.0142 -6.0142 -6.0006 -6.0006 -2.4105 -2.4105 -1.0035 -1.0035 -0.4866 -0.4866 2.1843 2.1843 6.9668 6.9668 7.1709 7.1709 7.1952 7.1952 7.5724 7.5724 7.8769 7.8769 7.8872 7.8872 10.0671 10.0671 10.8498 10.8498 11.6992 11.6992 12.1060 12.1060 13.8409 13.8409 14.3886 14.3886 k = 0.1635 0.1635-0.0000 ( 2915 PWs) bands (ev): -15.4785 -15.4785 -8.6272 -8.6272 -8.6178 -8.6178 -7.7398 -7.7398 -7.5563 -7.5563 -6.4006 -6.4006 -6.0274 -6.0274 -6.0134 -6.0134 -6.0009 -6.0009 -2.4480 -2.4480 -1.0702 -1.0702 -0.5878 -0.5878 2.2004 2.2004 6.9764 6.9764 7.2008 7.2008 7.2056 7.2056 7.5894 7.5894 7.8460 7.8460 7.8654 7.8654 10.1665 10.1665 10.9565 10.9565 11.7192 11.7192 12.1739 12.1739 13.9187 13.9187 14.4396 14.4396 k = 0.1538 0.1538-0.0000 ( 2927 PWs) bands (ev): -15.4886 -15.4886 -8.6269 -8.6269 -8.6184 -8.6184 -7.7068 -7.7068 -7.5354 -7.5354 -6.3606 -6.3606 -6.0262 -6.0262 -6.0126 -6.0126 -6.0010 -6.0010 -2.4873 -2.4873 -1.1319 -1.1319 -0.6858 -0.6858 2.2166 2.2166 6.9840 6.9840 7.2129 7.2129 7.2324 7.2324 7.6058 7.6058 7.8113 7.8113 7.8493 7.8493 10.2608 10.2608 11.0611 11.0611 11.7400 11.7400 12.2412 12.2412 13.9993 13.9993 14.4910 14.4910 k = 0.1442 0.1442-0.0000 ( 2925 PWs) bands (ev): -15.4983 -15.4983 -8.6266 -8.6266 -8.6189 -8.6189 -7.6747 -7.6747 -7.5164 -7.5164 -6.3194 -6.3194 -6.0250 -6.0250 -6.0117 -6.0117 -6.0011 -6.0011 -2.5281 -2.5281 -1.1886 -1.1886 -0.7802 -0.7802 2.2328 2.2328 6.9901 6.9901 7.2212 7.2212 7.2605 7.2605 7.6218 7.6218 7.7782 7.7782 7.8350 7.8350 10.3498 10.3498 11.1630 11.1630 11.7616 11.7616 12.3075 12.3075 14.0824 14.0824 14.5426 14.5426 k = 0.1346 0.1346-0.0000 ( 2929 PWs) bands (ev): -15.5074 -15.5074 -8.6263 -8.6263 -8.6195 -8.6195 -7.6435 -7.6435 -7.4991 -7.4991 -6.2775 -6.2775 -6.0239 -6.0239 -6.0107 -6.0107 -6.0011 -6.0011 -2.5701 -2.5701 -1.2404 -1.2404 -0.8707 -0.8707 2.2489 2.2489 6.9948 6.9948 7.2287 7.2287 7.2857 7.2857 7.6370 7.6370 7.7482 7.7482 7.8221 7.8221 10.4332 10.4332 11.2616 11.2616 11.7838 11.7838 12.3722 12.3722 14.1677 14.1677 14.5943 14.5943 k = 0.1250 0.1250-0.0000 ( 2919 PWs) bands (ev): -15.5161 -15.5161 -8.6261 -8.6261 -8.6201 -8.6201 -7.6135 -7.6135 -7.4836 -7.4836 -6.2352 -6.2352 -6.0228 -6.0228 -6.0096 -6.0096 -6.0010 -6.0010 -2.6129 -2.6129 -1.2874 -1.2874 -0.9570 -0.9570 2.2647 2.2647 6.9981 6.9981 7.2356 7.2356 7.3066 7.3066 7.6516 7.6516 7.7229 7.7229 7.8106 7.8106 10.5108 10.5108 11.3564 11.3564 11.8065 11.8065 12.4349 12.4349 14.2548 14.2548 14.6461 14.6461 k = 0.1154 0.1154-0.0000 ( 2919 PWs) bands (ev): -15.5242 -15.5242 -8.6258 -8.6258 -8.6206 -8.6206 -7.5849 -7.5849 -7.4698 -7.4698 -6.1929 -6.1929 -6.0217 -6.0217 -6.0085 -6.0085 -6.0008 -6.0008 -2.6561 -2.6561 -1.3298 -1.3298 -1.0387 -1.0387 2.2800 2.2800 7.0003 7.0003 7.2417 7.2417 7.3221 7.3221 7.6653 7.6653 7.7036 7.7036 7.8003 7.8003 10.5823 10.5823 11.4467 11.4467 11.8296 11.8296 12.4951 12.4951 14.3431 14.3431 14.6976 14.6976 k = 0.1058 0.1058-0.0000 ( 2921 PWs) bands (ev): -15.5318 -15.5318 -8.6256 -8.6256 -8.6211 -8.6211 -7.5577 -7.5577 -7.4575 -7.4575 -6.1512 -6.1512 -6.0208 -6.0208 -6.0073 -6.0073 -6.0006 -6.0006 -2.6991 -2.6991 -1.3677 -1.3677 -1.1155 -1.1155 2.2948 2.2948 7.0013 7.0013 7.2472 7.2472 7.3312 7.3312 7.6778 7.6778 7.6917 7.6917 7.7914 7.7914 10.6479 10.6479 11.5321 11.5321 11.8529 11.8529 12.5524 12.5524 14.4321 14.4321 14.7488 14.7488 k = 0.0962 0.0962-0.0000 ( 2915 PWs) bands (ev): -15.5388 -15.5388 -8.6254 -8.6254 -8.6216 -8.6216 -7.5322 -7.5322 -7.4466 -7.4466 -6.1105 -6.1105 -6.0200 -6.0200 -6.0061 -6.0061 -6.0003 -6.0003 -2.7413 -2.7413 -1.4013 -1.4013 -1.1869 -1.1869 2.3088 2.3088 7.0012 7.0012 7.2521 7.2521 7.3340 7.3340 7.6840 7.6840 7.6923 7.6923 7.7836 7.7836 10.7072 10.7072 11.6120 11.6120 11.8760 11.8760 12.6065 12.6065 14.5211 14.5211 14.7991 14.7991 k = 0.0865 0.0865-0.0000 ( 2919 PWs) bands (ev): -15.5452 -15.5452 -8.6252 -8.6252 -8.6221 -8.6221 -7.5085 -7.5085 -7.4371 -7.4371 -6.0716 -6.0716 -6.0192 -6.0192 -6.0048 -6.0048 -5.9998 -5.9998 -2.7821 -2.7821 -1.4309 -1.4309 -1.2528 -1.2528 2.3221 2.3221 7.0001 7.0001 7.2564 7.2564 7.3313 7.3313 7.6860 7.6860 7.7025 7.7025 7.7770 7.7770 10.7604 10.7604 11.6858 11.6858 11.8986 11.8986 12.6568 12.6568 14.6091 14.6091 14.8483 14.8483 k = 0.0769 0.0769-0.0000 ( 2923 PWs) bands (ev): -15.5509 -15.5509 -8.6250 -8.6250 -8.6225 -8.6225 -7.4867 -7.4867 -7.4289 -7.4289 -6.0353 -6.0353 -6.0185 -6.0185 -6.0034 -6.0034 -5.9990 -5.9990 -2.8209 -2.8209 -1.4566 -1.4566 -1.3128 -1.3128 2.3343 2.3343 6.9981 6.9981 7.2601 7.2601 7.3247 7.3247 7.6919 7.6919 7.7125 7.7125 7.7714 7.7714 10.8075 10.8075 11.7531 11.7531 11.9204 11.9204 12.7032 12.7032 14.6953 14.6953 14.8959 14.8959 k = 0.0673 0.0673-0.0000 ( 2935 PWs) bands (ev): -15.5560 -15.5560 -8.6248 -8.6248 -8.6230 -8.6230 -7.4672 -7.4672 -7.4219 -7.4219 -6.0183 -6.0183 -6.0074 -6.0074 -6.0014 -6.0014 -5.9925 -5.9925 -2.8571 -2.8571 -1.4788 -1.4788 -1.3665 -1.3665 2.3455 2.3455 6.9953 6.9953 7.2633 7.2633 7.3158 7.3158 7.7008 7.7008 7.7214 7.7214 7.7669 7.7669 10.8485 10.8485 11.8135 11.8135 11.9409 11.9409 12.7452 12.7452 14.7782 14.7782 14.9411 14.9411 k = 0.0577 0.0577-0.0000 ( 2935 PWs) bands (ev): -15.5605 -15.5605 -8.6247 -8.6247 -8.6233 -8.6233 -7.4499 -7.4499 -7.4160 -7.4160 -6.0178 -6.0178 -6.0026 -6.0026 -6.0001 -6.0001 -5.9660 -5.9660 -2.8900 -2.8900 -1.4976 -1.4976 -1.4137 -1.4137 2.3554 2.3554 6.9921 6.9921 7.2660 7.2660 7.3061 7.3061 7.7109 7.7109 7.7293 7.7293 7.7633 7.7633 10.8837 10.8837 11.8667 11.8667 11.9598 11.9598 12.7824 12.7824 14.8565 14.8565 14.9832 14.9832 k = 0.0481 0.0481-0.0000 ( 2937 PWs) bands (ev): -15.5643 -15.5643 -8.6246 -8.6246 -8.6236 -8.6236 -7.4350 -7.4350 -7.4111 -7.4111 -6.0174 -6.0174 -6.0012 -6.0012 -5.9996 -5.9996 -5.9391 -5.9391 -2.9190 -2.9190 -1.5132 -1.5132 -1.4541 -1.4541 2.3640 2.3640 6.9886 6.9886 7.2682 7.2682 7.2968 7.2968 7.7210 7.7210 7.7359 7.7359 7.7608 7.7608 10.9131 10.9131 11.9123 11.9123 11.9766 11.9766 12.8146 12.8146 14.9285 14.9285 15.0214 15.0214 k = 0.0385 0.0385-0.0000 ( 2937 PWs) bands (ev): -15.5674 -15.5674 -8.6245 -8.6245 -8.6239 -8.6239 -7.4227 -7.4227 -7.4072 -7.4072 -6.0171 -6.0171 -6.0003 -6.0003 -5.9993 -5.9993 -5.9159 -5.9159 -2.9436 -2.9436 -1.5258 -1.5258 -1.4875 -1.4875 2.3712 2.3712 6.9852 6.9852 7.2700 7.2700 7.2886 7.2886 7.7301 7.7301 7.7410 7.7410 7.7595 7.7595 10.9369 10.9369 11.9499 11.9499 11.9909 11.9909 12.8414 12.8414 14.9922 14.9922 15.0546 15.0546 k = 0.0288 0.0288-0.0000 ( 2941 PWs) bands (ev): -15.5698 -15.5698 -8.6244 -8.6244 -8.6241 -8.6241 -7.4130 -7.4130 -7.4042 -7.4042 -6.0169 -6.0169 -5.9996 -5.9996 -5.9990 -5.9990 -5.8973 -5.8973 -2.9633 -2.9633 -1.5354 -1.5354 -1.5137 -1.5137 2.3769 2.3769 6.9822 6.9822 7.2713 7.2713 7.2819 7.2819 7.7374 7.7374 7.7443 7.7443 7.7595 7.7595 10.9553 10.9553 11.9795 11.9795 12.0024 12.0024 12.8626 12.8626 15.0453 15.0453 15.0820 15.0820 k = 0.0192 0.0192-0.0000 ( 2945 PWs) bands (ev): -15.5716 -15.5716 -8.6244 -8.6244 -8.6242 -8.6242 -7.4060 -7.4060 -7.4021 -7.4021 -6.0167 -6.0167 -5.9991 -5.9991 -5.9988 -5.9988 -5.8837 -5.8837 -2.9777 -2.9777 -1.5422 -1.5422 -1.5325 -1.5325 2.3810 2.3810 6.9798 6.9798 7.2723 7.2723 7.2771 7.2771 7.7427 7.7427 7.7460 7.7460 7.7606 7.7606 10.9683 10.9683 12.0007 12.0007 12.0108 12.0108 12.8778 12.8778 15.0855 15.0855 15.1023 15.1023 k = 0.0096 0.0096-0.0000 ( 2945 PWs) bands (ev): -15.5726 -15.5726 -8.6244 -8.6244 -8.6243 -8.6243 -7.4018 -7.4018 -7.4008 -7.4008 -6.0166 -6.0166 -5.9988 -5.9988 -5.9987 -5.9987 -5.8754 -5.8754 -2.9865 -2.9865 -1.5463 -1.5463 -1.5438 -1.5438 2.3835 2.3835 6.9782 6.9782 7.2729 7.2729 7.2741 7.2741 7.7457 7.7457 7.7466 7.7466 7.7619 7.7619 10.9761 10.9761 12.0135 12.0135 12.0160 12.0160 12.8871 12.8871 15.1106 15.1106 15.1150 15.1150 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -15.5730 -15.5730 -8.6243 -8.6243 -8.6243 -8.6243 -7.4004 -7.4004 -7.4004 -7.4004 -6.0166 -6.0166 -5.9987 -5.9987 -5.9987 -5.9987 -5.8726 -5.8726 -2.9894 -2.9894 -1.5476 -1.5476 -1.5476 -1.5476 2.3843 2.3843 6.9777 6.9777 7.2731 7.2731 7.2731 7.2731 7.7467 7.7467 7.7467 7.7467 7.7624 7.7624 10.9787 10.9787 12.0177 12.0177 12.0177 12.0177 12.8902 12.8902 15.1192 15.1192 15.1192 15.1192 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -15.5730 -15.5730 -8.6243 -8.6243 -8.6243 -8.6243 -7.4004 -7.4004 -7.4004 -7.4004 -6.0166 -6.0166 -5.9987 -5.9987 -5.9987 -5.9987 -5.8726 -5.8726 -2.9894 -2.9894 -1.5476 -1.5476 -1.5476 -1.5476 2.3843 2.3843 6.9777 6.9777 7.2731 7.2731 7.2731 7.2731 7.7467 7.7467 7.7467 7.7467 7.7624 7.7624 10.9787 10.9787 12.0177 12.0177 12.0177 12.0177 12.8902 12.8902 15.1192 15.1192 15.1192 15.1192 k = 0.0078 0.0078 0.0078 ( 2945 PWs) bands (ev): -15.5726 -15.5726 -8.6244 -8.6244 -8.6243 -8.6243 -7.4014 -7.4014 -7.4011 -7.4011 -6.0166 -6.0166 -5.9988 -5.9988 -5.9987 -5.9987 -5.8754 -5.8754 -2.9865 -2.9865 -1.5455 -1.5455 -1.5446 -1.5446 2.3835 2.3835 6.9782 6.9782 7.2729 7.2729 7.2740 7.2740 7.7457 7.7457 7.7466 7.7466 7.7619 7.7619 10.9761 10.9761 12.0144 12.0144 12.0151 12.0151 12.8871 12.8871 15.1110 15.1110 15.1147 15.1147 k = 0.0156 0.0156 0.0156 ( 2945 PWs) bands (ev): -15.5716 -15.5716 -8.6244 -8.6244 -8.6242 -8.6242 -7.4047 -7.4047 -7.4033 -7.4033 -6.0167 -6.0167 -5.9991 -5.9991 -5.9988 -5.9988 -5.8836 -5.8836 -2.9778 -2.9778 -1.5392 -1.5392 -1.5357 -1.5357 2.3810 2.3810 6.9798 6.9798 7.2725 7.2725 7.2768 7.2768 7.7426 7.7426 7.7459 7.7459 7.7608 7.7608 10.9685 10.9685 12.0045 12.0045 12.0072 12.0072 12.8780 12.8780 15.0870 15.0870 15.1013 15.1013 k = 0.0234 0.0234 0.0234 ( 2945 PWs) bands (ev): -15.5699 -15.5699 -8.6244 -8.6244 -8.6241 -8.6241 -7.4100 -7.4100 -7.4070 -7.4070 -6.0169 -6.0169 -5.9996 -5.9996 -5.9989 -5.9989 -5.8972 -5.8972 -2.9634 -2.9634 -1.5288 -1.5288 -1.5208 -1.5208 2.3770 2.3770 6.9821 6.9821 7.2716 7.2716 7.2816 7.2816 7.7376 7.7376 7.7434 7.7434 7.7605 7.7605 10.9557 10.9557 11.9881 11.9881 11.9940 11.9940 12.8629 12.8629 15.0486 15.0486 15.0797 15.0797 k = 0.0312 0.0312 0.0312 ( 2939 PWs) bands (ev): -15.5675 -15.5675 -8.6245 -8.6245 -8.6239 -8.6239 -7.4174 -7.4174 -7.4121 -7.4121 -6.0171 -6.0171 -6.0003 -6.0003 -5.9991 -5.9991 -5.9160 -5.9160 -2.9434 -2.9434 -1.5142 -1.5142 -1.5002 -1.5002 2.3713 2.3713 6.9851 6.9851 7.2701 7.2701 7.2882 7.2882 7.7308 7.7308 7.7381 7.7381 7.7620 7.7620 10.9380 10.9380 11.9652 11.9652 11.9756 11.9756 12.8420 12.8420 14.9978 14.9978 15.0508 15.0508 k = 0.0391 0.0391 0.0391 ( 2933 PWs) bands (ev): -15.5643 -15.5643 -8.6246 -8.6246 -8.6236 -8.6236 -7.4268 -7.4268 -7.4186 -7.4186 -6.0174 -6.0174 -6.0012 -6.0012 -5.9993 -5.9993 -5.9398 -5.9398 -2.9180 -2.9180 -1.4955 -1.4955 -1.4738 -1.4738 2.3642 2.3642 6.9884 6.9884 7.2677 7.2677 7.2969 7.2969 7.7227 7.7227 7.7304 7.7304 7.7652 7.7652 10.9152 10.9152 11.9359 11.9359 11.9521 11.9521 12.8157 12.8157 14.9367 14.9367 15.0159 15.0159 k = 0.0469 0.0469 0.0469 ( 2933 PWs) bands (ev): -15.5606 -15.5606 -8.6248 -8.6248 -8.6232 -8.6232 -7.4382 -7.4382 -7.4266 -7.4266 -6.0177 -6.0177 -6.0023 -6.0023 -5.9995 -5.9995 -5.9682 -5.9682 -2.8875 -2.8875 -1.4727 -1.4727 -1.4418 -1.4418 2.3556 2.3556 6.9915 6.9915 7.2641 7.2641 7.3076 7.3076 7.7136 7.7136 7.7210 7.7210 7.7697 7.7697 10.8876 10.8876 11.9004 11.9004 11.9235 11.9235 12.7842 12.7842 14.8676 14.8676 14.9759 14.9759 k = 0.0547 0.0547 0.0547 ( 2933 PWs) bands (ev): -15.5561 -15.5561 -8.6249 -8.6249 -8.6229 -8.6229 -7.4516 -7.4516 -7.4358 -7.4358 -6.0183 -6.0183 -6.0035 -6.0035 -6.0010 -6.0010 -5.9996 -5.9996 -2.8521 -2.8521 -1.4460 -1.4460 -1.4045 -1.4045 2.3458 2.3458 6.9939 6.9939 7.2589 7.2589 7.3205 7.3205 7.7039 7.7039 7.7106 7.7106 7.7754 7.7754 10.8552 10.8552 11.8588 11.8588 11.8900 11.8900 12.7479 12.7479 14.7921 14.7921 14.9321 14.9321 k = 0.0625 0.0625 0.0625 ( 2933 PWs) bands (ev): -15.5510 -15.5510 -8.6251 -8.6251 -8.6224 -8.6224 -7.4667 -7.4667 -7.4464 -7.4464 -6.0380 -6.0380 -6.0185 -6.0185 -6.0048 -6.0048 -5.9999 -5.9999 -2.8121 -2.8121 -1.4153 -1.4153 -1.3620 -1.3620 2.3346 2.3346 6.9950 6.9950 7.2515 7.2515 7.3355 7.3355 7.6942 7.6942 7.6997 7.6997 7.7820 7.7820 10.8181 10.8181 11.8113 11.8113 11.8516 11.8516 12.7072 12.7072 14.7121 14.7121 14.8855 14.8855 k = 0.0703 0.0703 0.0703 ( 2927 PWs) bands (ev): -15.5452 -15.5452 -8.6254 -8.6254 -8.6219 -8.6219 -7.4836 -7.4836 -7.4583 -7.4583 -6.0784 -6.0784 -6.0192 -6.0192 -6.0062 -6.0062 -6.0000 -6.0000 -2.7677 -2.7677 -1.3807 -1.3807 -1.3145 -1.3145 2.3224 2.3224 6.9942 6.9942 7.2414 7.2414 7.3528 7.3528 7.6853 7.6853 7.6890 7.6890 7.7896 7.7896 10.7764 10.7764 11.7581 11.7581 11.8085 11.8085 12.6624 12.6624 14.6287 14.6287 14.8369 14.8369 k = 0.0781 0.0781 0.0781 ( 2933 PWs) bands (ev): -15.5388 -15.5388 -8.6257 -8.6257 -8.6213 -8.6213 -7.5022 -7.5022 -7.4713 -7.4713 -6.1223 -6.1223 -6.0199 -6.0199 -6.0077 -6.0077 -6.0001 -6.0001 -2.7192 -2.7192 -1.3424 -1.3424 -1.2622 -1.2622 2.3092 2.3092 6.9907 6.9907 7.2280 7.2280 7.3722 7.3722 7.6776 7.6776 7.6790 7.6790 7.7981 7.7981 10.7302 10.7302 11.6993 11.6993 11.7609 11.7609 12.6139 12.6139 14.5433 14.5433 14.7872 14.7872 k = 0.0859 0.0859 0.0859 ( 2927 PWs) bands (ev): -15.5318 -15.5318 -8.6260 -8.6260 -8.6207 -8.6207 -7.5223 -7.5223 -7.4855 -7.4855 -6.1691 -6.1691 -6.0206 -6.0206 -6.0092 -6.0092 -6.0001 -6.0001 -2.6669 -2.6669 -1.3004 -1.3004 -1.2054 -1.2054 2.2952 2.2952 6.9838 6.9838 7.2109 7.2109 7.3938 7.3938 7.6705 7.6705 7.6717 7.6717 7.8075 7.8075 10.6797 10.6797 11.6352 11.6352 11.7089 11.7089 12.5620 12.5620 14.4569 14.4569 14.7370 14.7370 k = 0.0938 0.0937 0.0937 ( 2927 PWs) bands (ev): -15.5241 -15.5241 -8.6264 -8.6264 -8.6200 -8.6200 -7.5439 -7.5439 -7.5008 -7.5008 -6.2186 -6.2186 -6.0214 -6.0214 -6.0107 -6.0107 -6.0000 -6.0000 -2.6110 -2.6110 -1.2547 -1.2547 -1.1443 -1.1443 2.2804 2.2804 6.9729 6.9729 7.1897 7.1897 7.4175 7.4175 7.6640 7.6640 7.6682 7.6682 7.8177 7.8177 10.6251 10.6251 11.5661 11.5661 11.6528 11.6528 12.5071 12.5071 14.3703 14.3703 14.6869 14.6869 k = 0.1016 0.1016 0.1016 ( 2924 PWs) bands (ev): -15.5158 -15.5158 -8.6268 -8.6268 -8.6193 -8.6193 -7.5668 -7.5668 -7.5172 -7.5172 -6.2705 -6.2705 -6.0222 -6.0222 -6.0123 -6.0123 -5.9999 -5.9999 -2.5518 -2.5518 -1.2055 -1.2055 -1.0793 -1.0793 2.2652 2.2652 6.9576 6.9576 7.1642 7.1642 7.4429 7.4429 7.6600 7.6600 7.6673 7.6673 7.8287 7.8287 10.5664 10.5664 11.4921 11.4921 11.5927 11.5927 12.4496 12.4496 14.2843 14.2843 14.6372 14.6372 k = 0.1094 0.1094 0.1094 ( 2930 PWs) bands (ev): -15.5069 -15.5069 -8.6273 -8.6273 -8.6186 -8.6186 -7.5909 -7.5909 -7.5345 -7.5345 -6.3243 -6.3243 -6.0230 -6.0230 -6.0138 -6.0138 -5.9997 -5.9997 -2.4894 -2.4894 -1.1529 -1.1529 -1.0104 -1.0104 2.2495 2.2495 6.9376 6.9376 7.1344 7.1344 7.4698 7.4698 7.6590 7.6590 7.6691 7.6691 7.8405 7.8405 10.5039 10.5039 11.4134 11.4134 11.5290 11.5290 12.3896 12.3896 14.1997 14.1997 14.5885 14.5885 k = 0.1172 0.1172 0.1172 ( 2930 PWs) bands (ev): -15.4975 -15.4975 -8.6279 -8.6279 -8.6178 -8.6178 -7.6161 -7.6161 -7.5526 -7.5526 -6.3800 -6.3800 -6.0239 -6.0239 -6.0153 -6.0153 -5.9994 -5.9994 -2.4241 -2.4241 -1.0969 -1.0969 -0.9381 -0.9381 2.2336 2.2336 6.9126 6.9126 7.1005 7.1005 7.4979 7.4979 7.6612 7.6612 7.6735 7.6735 7.8531 7.8531 10.4376 10.4376 11.3304 11.3304 11.4619 11.4619 12.3274 12.3274 14.1171 14.1171 14.5411 14.5411 k = 0.1250 0.1250 0.1250 ( 2920 PWs) bands (ev): -15.4874 -15.4874 -8.6285 -8.6285 -8.6169 -8.6169 -7.6423 -7.6423 -7.5716 -7.5716 -6.4372 -6.4372 -6.0247 -6.0247 -6.0166 -6.0166 -5.9991 -5.9991 -2.3560 -2.3560 -1.0378 -1.0378 -0.8624 -0.8624 2.2176 2.2176 6.8829 6.8829 7.0626 7.0626 7.5267 7.5267 7.6667 7.6667 7.6804 7.6804 7.8665 7.8665 10.3678 10.3678 11.2433 11.2433 11.3918 11.3918 12.2635 12.2635 14.0370 14.0370 14.4951 14.4951 k = 0.1328 0.1328 0.1328 ( 2923 PWs) bands (ev): -15.4769 -15.4769 -8.6292 -8.6292 -8.6160 -8.6160 -7.6694 -7.6694 -7.5912 -7.5912 -6.4956 -6.4956 -6.0254 -6.0254 -6.0180 -6.0180 -5.9987 -5.9987 -2.2854 -2.2854 -0.9755 -0.9755 -0.7838 -0.7838 2.2017 2.2017 6.8485 6.8485 7.0212 7.0212 7.5556 7.5556 7.6755 7.6755 7.6896 7.6896 7.8805 7.8805 10.2946 10.2946 11.1523 11.1523 11.3190 11.3190 12.1979 12.1979 13.9599 13.9599 14.4509 14.4509 k = 0.1406 0.1406 0.1406 ( 2917 PWs) bands (ev): -15.4658 -15.4658 -8.6300 -8.6300 -8.6151 -8.6151 -7.6973 -7.6973 -7.6115 -7.6115 -6.5551 -6.5551 -6.0261 -6.0261 -6.0192 -6.0192 -5.9983 -5.9983 -2.2124 -2.2124 -0.9101 -0.9101 -0.7024 -0.7024 2.1861 2.1861 6.8098 6.8098 6.9766 6.9766 7.5841 7.5841 7.6875 7.6875 7.7007 7.7007 7.8953 7.8953 10.2181 10.2181 11.0576 11.0576 11.2440 11.2440 12.1311 12.1311 13.8863 13.8863 14.4087 14.4087 k = 0.1484 0.1484 0.1484 ( 2923 PWs) bands (ev): -15.4542 -15.4542 -8.6309 -8.6309 -8.6142 -8.6142 -7.7258 -7.7258 -7.6324 -7.6324 -6.6155 -6.6155 -6.0268 -6.0268 -6.0202 -6.0202 -5.9978 -5.9978 -2.1371 -2.1371 -0.8419 -0.8419 -0.6185 -0.6185 2.1709 2.1709 6.7672 6.7672 6.9291 6.9291 7.6117 7.6117 7.7022 7.7022 7.7135 7.7135 7.9107 7.9107 10.1386 10.1386 10.9596 10.9596 11.1671 11.1671 12.0634 12.0634 13.8165 13.8165 14.3685 14.3685 k = 0.1562 0.1562 0.1562 ( 2923 PWs) bands (ev): -15.4421 -15.4421 -8.6319 -8.6319 -8.6133 -8.6133 -7.7549 -7.7549 -7.6537 -7.6537 -6.6765 -6.6765 -6.0273 -6.0273 -6.0212 -6.0212 -5.9972 -5.9972 -2.0597 -2.0597 -0.7708 -0.7708 -0.5323 -0.5323 2.1562 2.1562 6.7211 6.7211 6.8790 6.8790 7.6381 7.6381 7.7191 7.7191 7.7278 7.7278 7.9267 7.9267 10.0562 10.0562 10.8584 10.8584 11.0889 11.0889 11.9951 11.9951 13.7509 13.7509 14.3305 14.3305 k = 0.1641 0.1641 0.1641 ( 2911 PWs) bands (ev): -15.4296 -15.4296 -8.6330 -8.6330 -8.6124 -8.6124 -7.7845 -7.7845 -7.6755 -7.6755 -6.7380 -6.7380 -6.0278 -6.0278 -6.0220 -6.0220 -5.9967 -5.9967 -1.9803 -1.9803 -0.6969 -0.6969 -0.4441 -0.4441 2.1423 2.1423 6.6720 6.6720 6.8268 6.8268 7.6632 7.6632 7.7373 7.7373 7.7432 7.7432 7.9433 7.9433 9.9711 9.9711 10.7543 10.7543 11.0098 11.0098 11.9268 11.9268 13.6896 13.6896 14.2948 14.2948 k = 0.1719 0.1719 0.1719 ( 2917 PWs) bands (ev): -15.4166 -15.4166 -8.6343 -8.6343 -8.6115 -8.6115 -7.8144 -7.8144 -7.6975 -7.6975 -6.7998 -6.7998 -6.0281 -6.0281 -6.0227 -6.0227 -5.9960 -5.9960 -1.8991 -1.8991 -0.6205 -0.6205 -0.3539 -0.3539 2.1292 2.1292 6.6202 6.6202 6.7727 6.7727 7.6869 7.6869 7.7556 7.7556 7.7595 7.7595 7.9605 7.9605 9.8835 9.8835 10.6475 10.6475 10.9304 10.9304 11.8589 11.8589 13.6329 13.6329 14.2615 14.2615 k = 0.1797 0.1797 0.1797 ( 2923 PWs) bands (ev): -15.4032 -15.4032 -8.6357 -8.6357 -8.6106 -8.6106 -7.8445 -7.8445 -7.7198 -7.7198 -6.8617 -6.8617 -6.0283 -6.0283 -6.0232 -6.0232 -5.9954 -5.9954 -1.8162 -1.8162 -0.5415 -0.5415 -0.2621 -0.2621 2.1172 2.1172 6.5661 6.5661 6.7170 6.7170 7.7093 7.7093 7.7728 7.7728 7.7765 7.7765 7.9783 7.9783 9.7936 9.7936 10.5384 10.5384 10.8511 10.8511 11.7921 11.7921 13.5808 13.5808 14.2306 14.2306 k = 0.1875 0.1875 0.1875 ( 2923 PWs) bands (ev): -15.3894 -15.3894 -8.6372 -8.6372 -8.6098 -8.6098 -7.8749 -7.8749 -7.7422 -7.7422 -6.9237 -6.9237 -6.0284 -6.0284 -6.0235 -6.0235 -5.9947 -5.9947 -1.7316 -1.7316 -0.4600 -0.4600 -0.1688 -0.1688 2.1063 2.1063 6.5100 6.5100 6.6600 6.6600 7.7304 7.7304 7.7878 7.7878 7.7940 7.7940 7.9965 7.9965 9.7016 9.7016 10.4271 10.4271 10.7725 10.7725 11.7270 11.7270 13.5336 13.5336 14.2023 14.2023 k = 0.1953 0.1953 0.1953 ( 2917 PWs) bands (ev): -15.3753 -15.3753 -8.6389 -8.6389 -8.6090 -8.6090 -7.9052 -7.9052 -7.7647 -7.7647 -6.9855 -6.9855 -6.0283 -6.0283 -6.0237 -6.0237 -5.9940 -5.9940 -1.6455 -1.6455 -0.3762 -0.3762 -0.0742 -0.0742 2.0967 2.0967 6.4524 6.4524 6.6019 6.6019 7.7495 7.7495 7.8001 7.8001 7.8117 7.8117 8.0152 8.0152 9.6077 9.6077 10.3140 10.3140 10.6950 10.6950 11.6644 11.6644 13.4911 13.4911 14.1765 14.1765 k = 0.2031 0.2031 0.2031 ( 2920 PWs) bands (ev): -15.3608 -15.3608 -8.6408 -8.6408 -8.6084 -8.6084 -7.9356 -7.9356 -7.7871 -7.7871 -7.0471 -7.0471 -6.0281 -6.0281 -6.0237 -6.0237 -5.9932 -5.9932 -1.5581 -1.5581 -0.2901 -0.2901 0.0214 0.0214 2.0885 2.0885 6.3935 6.3935 6.5429 6.5429 7.7647 7.7647 7.8102 7.8102 7.8294 7.8294 8.0343 8.0343 9.5123 9.5123 10.1992 10.1992 10.6188 10.6188 11.6052 11.6052 13.4535 13.4535 14.1532 14.1532 k = 0.2109 0.2109 0.2109 ( 2920 PWs) bands (ev): -15.3461 -15.3461 -8.6428 -8.6428 -8.6078 -8.6078 -7.9659 -7.9659 -7.8095 -7.8095 -7.1084 -7.1084 -6.0277 -6.0277 -6.0235 -6.0235 -5.9925 -5.9925 -1.4693 -1.4693 -0.2019 -0.2019 0.1180 0.1180 2.0818 2.0818 6.3336 6.3336 6.4832 6.4832 7.7724 7.7724 7.8205 7.8205 7.8467 7.8467 8.0537 8.0537 9.4157 9.4157 10.0832 10.0832 10.5444 10.5444 11.5504 11.5504 13.4207 13.4207 14.1325 14.1325 k = 0.2188 0.2187 0.2187 ( 2929 PWs) bands (ev): -15.3310 -15.3310 -8.6451 -8.6451 -8.6074 -8.6074 -7.9960 -7.9960 -7.8317 -7.8317 -7.1691 -7.1691 -6.0272 -6.0272 -6.0232 -6.0232 -5.9917 -5.9917 -1.3794 -1.3794 -0.1116 -0.1116 0.2154 0.2154 2.0767 2.0767 6.2729 6.2729 6.4231 6.4231 7.7690 7.7690 7.8333 7.8333 7.8636 7.8636 8.0735 8.0735 9.3182 9.3182 9.9662 9.9662 10.4716 10.4716 11.5011 11.5011 13.3926 13.3926 14.1144 14.1144 k = 0.2266 0.2266 0.2266 ( 2929 PWs) bands (ev): -15.3157 -15.3157 -8.6475 -8.6475 -8.6071 -8.6071 -8.0258 -8.0258 -7.8537 -7.8537 -7.2292 -7.2292 -6.0266 -6.0266 -6.0227 -6.0227 -5.9909 -5.9909 -1.2883 -1.2883 -0.0193 -0.0193 0.3134 0.3134 2.0735 2.0735 6.2117 6.2117 6.3627 6.3627 7.7544 7.7544 7.8476 7.8476 7.8795 7.8795 8.0936 8.0936 9.2205 9.2205 9.8486 9.8486 10.4004 10.4004 11.4583 11.4583 13.3693 13.3693 14.0989 14.0989 k = 0.2344 0.2344 0.2344 ( 2926 PWs) bands (ev): -15.3002 -15.3002 -8.6501 -8.6501 -8.6071 -8.6071 -8.0553 -8.0553 -7.8753 -7.8753 -7.2886 -7.2886 -6.0257 -6.0257 -6.0221 -6.0221 -5.9901 -5.9901 -1.1964 -1.1964 0.0749 0.0749 0.4118 0.4118 2.0721 2.0721 6.1502 6.1502 6.3022 6.3022 7.7295 7.7295 7.8613 7.8613 7.8942 7.8942 8.1139 8.1139 9.1231 9.1231 9.7308 9.7308 10.3305 10.3305 11.4231 11.4231 13.3507 13.3507 14.0858 14.0858 k = 0.2422 0.2422 0.2422 ( 2926 PWs) bands (ev): -15.2845 -15.2845 -8.6530 -8.6530 -8.6072 -8.6072 -8.0844 -8.0844 -7.8966 -7.8966 -7.3472 -7.3472 -6.0247 -6.0247 -6.0213 -6.0213 -5.9892 -5.9892 -1.1035 -1.1035 0.1709 0.1709 0.5106 0.5106 2.0726 2.0726 6.0886 6.0886 6.2418 6.2418 7.6948 7.6948 7.8728 7.8728 7.9073 7.9073 8.1344 8.1344 9.0269 9.0269 9.6133 9.6133 10.2614 10.2614 11.3964 11.3964 13.3367 13.3367 14.0753 14.0753 k = 0.2500 0.2500 0.2500 ( 2905 PWs) bands (ev): -15.2687 -15.2687 -8.6561 -8.6561 -8.6077 -8.6077 -8.1131 -8.1131 -7.9175 -7.9175 -7.4047 -7.4047 -6.0236 -6.0236 -6.0204 -6.0204 -5.9884 -5.9884 -1.0099 -1.0099 0.2687 0.2687 0.6095 0.6095 2.0752 2.0752 6.0271 6.0271 6.1817 6.1817 7.6505 7.6505 7.8807 7.8807 7.9181 7.9181 8.1551 8.1551 8.9331 8.9331 9.4968 9.4968 10.1929 10.1929 11.3791 11.3791 13.3272 13.3272 14.0673 14.0673 k = 0.2578 0.2578 0.2578 ( 2929 PWs) bands (ev): -15.2528 -15.2528 -8.6594 -8.6594 -8.6084 -8.6084 -8.1413 -8.1413 -7.9378 -7.9378 -7.4612 -7.4612 -6.0223 -6.0223 -6.0193 -6.0193 -5.9875 -5.9875 -0.9157 -0.9157 0.3680 0.3680 0.7084 0.7084 2.0798 2.0798 5.9659 5.9659 6.1219 6.1219 7.5970 7.5970 7.8836 7.8836 7.9261 7.9261 8.1758 8.1758 8.8429 8.8429 9.3818 9.3818 10.1242 10.1242 11.3715 11.3715 13.3222 13.3222 14.0616 14.0616 k = 0.2656 0.2656 0.2656 ( 2929 PWs) bands (ev): -15.2367 -15.2367 -8.6629 -8.6629 -8.6096 -8.6096 -8.1689 -8.1689 -7.9576 -7.9576 -7.5165 -7.5165 -6.0209 -6.0209 -6.0181 -6.0181 -5.9866 -5.9866 -0.8210 -0.8210 0.4689 0.4689 0.8072 0.8072 2.0867 2.0867 5.9052 5.9052 6.0627 6.0627 7.5346 7.5346 7.8795 7.8795 7.9303 7.9303 8.1966 8.1966 8.7584 8.7584 9.2694 9.2694 10.0550 10.0550 11.3740 11.3740 13.3216 13.3216 14.0583 14.0583 k = 0.2734 0.2734 0.2734 ( 2929 PWs) bands (ev): -15.2207 -15.2207 -8.6667 -8.6667 -8.6111 -8.6111 -8.1959 -8.1959 -7.9768 -7.9768 -7.5705 -7.5705 -6.0193 -6.0193 -6.0168 -6.0168 -5.9858 -5.9858 -0.7259 -0.7259 0.5713 0.5713 0.9058 0.9058 2.0959 2.0959 5.8451 5.8451 6.0041 6.0041 7.4639 7.4639 7.8662 7.8662 7.9298 7.9298 8.2174 8.2174 8.6817 8.6817 9.1607 9.1607 9.9851 9.9851 11.3863 11.3863 13.3254 13.3254 14.0573 14.0573 k = 0.2812 0.2812 0.2812 ( 2929 PWs) bands (ev): -15.2046 -15.2046 -8.6708 -8.6708 -8.6131 -8.6131 -8.2223 -8.2223 -7.9954 -7.9954 -7.6229 -7.6229 -6.0176 -6.0176 -6.0154 -6.0154 -5.9849 -5.9849 -0.6305 -0.6305 0.6751 0.6751 1.0039 1.0039 2.1074 2.1074 5.7857 5.7857 5.9464 5.9464 7.3856 7.3856 7.8415 7.8415 7.9231 7.9231 8.2382 8.2382 8.6152 8.6152 9.0572 9.0572 9.9143 9.9143 11.4082 11.4082 13.3335 13.3335 14.0585 14.0585 k = 0.2891 0.2891 0.2891 ( 2929 PWs) bands (ev): -15.1886 -15.1886 -8.6750 -8.6750 -8.6156 -8.6156 -8.2480 -8.2480 -8.0132 -8.0132 -7.6738 -7.6738 -6.0158 -6.0158 -6.0139 -6.0139 -5.9840 -5.9840 -0.5350 -0.5350 0.7801 0.7801 1.1016 1.1016 2.1213 2.1213 5.7272 5.7272 5.8896 5.8896 7.3004 7.3004 7.8035 7.8035 7.9085 7.9085 8.2588 8.2588 8.5611 8.5611 8.9605 8.9605 9.8425 9.8425 11.4388 11.4388 13.3460 13.3460 14.0618 14.0618 k = 0.2969 0.2969 0.2969 ( 2929 PWs) bands (ev): -15.1727 -15.1727 -8.6795 -8.6795 -8.6186 -8.6186 -8.2731 -8.2731 -8.0304 -8.0304 -7.7229 -7.7229 -6.0139 -6.0139 -6.0123 -6.0123 -5.9831 -5.9831 -0.4395 -0.4395 0.8862 0.8862 1.1985 1.1985 2.1377 2.1377 5.6698 5.6698 5.8339 5.8339 7.2092 7.2092 7.7514 7.7514 7.8843 7.8843 8.2793 8.2793 8.5200 8.5200 8.8727 8.8727 9.7699 9.7699 11.4773 11.4773 13.3626 13.3626 14.0671 14.0671 k = 0.3047 0.3047 0.3047 ( 2932 PWs) bands (ev): -15.1569 -15.1569 -8.6842 -8.6842 -8.6222 -8.6222 -8.2975 -8.2975 -8.0468 -8.0468 -7.7702 -7.7702 -6.0119 -6.0119 -6.0106 -6.0106 -5.9822 -5.9822 -0.3441 -0.3441 0.9935 0.9935 1.2945 1.2945 2.1566 2.1566 5.6134 5.6134 5.7793 5.7793 7.1128 7.1128 7.6859 7.6859 7.8485 7.8485 8.2995 8.2995 8.4915 8.4915 8.7955 8.7955 9.6966 9.6966 11.5227 11.5227 13.3835 13.3835 14.0744 14.0744 k = 0.3125 0.3125 0.3125 ( 2932 PWs) bands (ev): -15.1412 -15.1412 -8.6891 -8.6891 -8.6265 -8.6265 -8.3212 -8.3212 -8.0624 -8.0624 -7.8154 -7.8154 -6.0098 -6.0098 -6.0088 -6.0088 -5.9813 -5.9813 -0.2491 -0.2491 1.1017 1.1017 1.3895 1.3895 2.1781 2.1781 5.5584 5.5584 5.7260 5.7260 7.0119 7.0119 7.6089 7.6089 7.7998 7.7998 8.3195 8.3195 8.4738 8.4738 8.7306 8.7306 9.6230 9.6230 11.5740 11.5740 13.4084 13.4084 14.0834 14.0834 k = 0.3203 0.3203 0.3203 ( 2944 PWs) bands (ev): -15.1258 -15.1258 -8.6942 -8.6942 -8.6314 -8.6314 -8.3444 -8.3444 -8.0773 -8.0773 -7.8583 -7.8583 -6.0076 -6.0076 -6.0070 -6.0070 -5.9804 -5.9804 -0.1546 -0.1546 1.2107 1.2107 1.4832 1.4832 2.2023 2.2023 5.5047 5.5047 5.6741 5.6741 6.9073 6.9073 7.5228 7.5228 7.7378 7.7378 8.3392 8.3392 8.4646 8.4646 8.6784 8.6784 9.5493 9.5493 11.6300 11.6300 13.4375 13.4375 14.0941 14.0941 k = 0.3281 0.3281 0.3281 ( 2944 PWs) bands (ev): -15.1106 -15.1106 -8.6995 -8.6995 -8.6370 -8.6370 -8.3669 -8.3669 -8.0913 -8.0913 -7.8990 -7.8990 -6.0054 -6.0054 -6.0052 -6.0052 -5.9795 -5.9795 -0.0607 -0.0607 1.3204 1.3204 1.5753 1.5753 2.2293 2.2293 5.4525 5.4525 5.6237 5.6237 6.7997 6.7997 7.4298 7.4298 7.6630 7.6630 8.3585 8.3585 8.4618 8.4618 8.6385 8.6385 9.4758 9.4758 11.6897 11.6897 13.4706 13.4706 14.1063 14.1063 k = 0.3359 0.3359 0.3359 ( 2944 PWs) bands (ev): -15.0956 -15.0956 -8.7049 -8.7049 -8.6432 -8.6432 -8.3890 -8.3890 -8.1046 -8.1046 -7.9371 -7.9371 -6.0033 -6.0033 -6.0031 -6.0031 -5.9786 -5.9786 0.0322 0.0322 1.4307 1.4307 1.6657 1.6657 2.2593 2.2593 5.4019 5.4019 5.5748 5.5748 6.6899 6.6899 7.3321 7.3321 7.5771 7.5771 8.3773 8.3773 8.4636 8.4636 8.6094 8.6094 9.4029 9.4029 11.7521 11.7521 13.5075 13.5075 14.1198 14.1198 k = 0.3438 0.3437 0.3437 ( 2944 PWs) bands (ev): -15.0810 -15.0810 -8.7104 -8.7104 -8.6500 -8.6500 -8.4106 -8.4106 -8.1170 -8.1170 -7.9727 -7.9727 -6.0014 -6.0014 -6.0009 -6.0009 -5.9777 -5.9777 0.1241 0.1241 1.5414 1.5414 1.7540 1.7540 2.2923 2.2923 5.3528 5.3528 5.5276 5.5276 6.5785 6.5785 7.2312 7.2312 7.4821 7.4821 8.3957 8.3957 8.4686 8.4686 8.5892 8.5892 9.3307 9.3307 11.8162 11.8162 13.5481 13.5481 14.1346 14.1346 k = 0.3516 0.3516 0.3516 ( 2944 PWs) bands (ev): -15.0668 -15.0668 -8.7160 -8.7160 -8.6574 -8.6574 -8.4318 -8.4318 -8.1287 -8.1287 -8.0055 -8.0055 -5.9995 -5.9995 -5.9986 -5.9986 -5.9768 -5.9768 0.2147 0.2147 1.6524 1.6524 1.8397 1.8397 2.3286 2.3286 5.3055 5.3055 5.4822 5.4822 6.4662 6.4662 7.1282 7.1282 7.3800 7.3800 8.4136 8.4136 8.4758 8.4758 8.5761 8.5761 9.2598 9.2598 11.8810 11.8810 13.5923 13.5923 14.1505 14.1505 k = 0.3594 0.3594 0.3594 ( 2938 PWs) bands (ev): -15.0530 -15.0530 -8.7216 -8.7216 -8.6654 -8.6654 -8.4526 -8.4526 -8.1396 -8.1396 -8.0355 -8.0355 -5.9976 -5.9976 -5.9964 -5.9964 -5.9759 -5.9759 0.3037 0.3037 1.7634 1.7634 1.9224 1.9224 2.3684 2.3684 5.2600 5.2600 5.4385 5.4385 6.3536 6.3536 7.0242 7.0242 7.2728 7.2728 8.4309 8.4309 8.4844 8.4844 8.5682 8.5682 9.1903 9.1903 11.9457 11.9457 13.6398 13.6398 14.1672 14.1672 k = 0.3672 0.3672 0.3672 ( 2944 PWs) bands (ev): -15.0396 -15.0396 -8.7272 -8.7272 -8.6738 -8.6738 -8.4731 -8.4731 -8.1497 -8.1497 -8.0628 -8.0628 -5.9958 -5.9958 -5.9942 -5.9942 -5.9749 -5.9749 0.3910 0.3910 1.8743 1.8743 2.0016 2.0016 2.4119 2.4119 5.2162 5.2162 5.3968 5.3968 6.2412 6.2412 6.9200 6.9200 7.1620 7.1620 8.4475 8.4475 8.4938 8.4938 8.5642 8.5642 9.1225 9.1225 12.0096 12.0096 13.6902 13.6902 14.1846 14.1846 k = 0.3750 0.3750 0.3750 ( 2941 PWs) bands (ev): -15.0268 -15.0268 -8.7328 -8.7328 -8.6825 -8.6825 -8.4933 -8.4933 -8.1590 -8.1590 -8.0872 -8.0872 -5.9939 -5.9939 -5.9921 -5.9921 -5.9739 -5.9739 0.4761 0.4761 1.9848 1.9848 2.0767 2.0767 2.4593 2.4593 5.1744 5.1744 5.3570 5.3570 6.1296 6.1296 6.8163 6.8163 7.0491 7.0491 8.4634 8.4634 8.5037 8.5037 8.5631 8.5631 9.0567 9.0567 12.0720 12.0720 13.7432 13.7432 14.2025 14.2025 k = 0.3828 0.3828 0.3828 ( 2941 PWs) bands (ev): -15.0144 -15.0144 -8.7383 -8.7383 -8.6915 -8.6915 -8.5131 -8.5131 -8.1676 -8.1676 -8.1090 -8.1090 -5.9921 -5.9921 -5.9901 -5.9901 -5.9729 -5.9729 0.5588 0.5588 2.0946 2.0946 2.1474 2.1474 2.5108 2.5108 5.1344 5.1344 5.3193 5.3193 6.0195 6.0195 6.7137 6.7137 6.9350 6.9350 8.4786 8.4786 8.5138 8.5138 8.5640 8.5640 8.9932 8.9932 12.1323 12.1323 13.7982 13.7982 14.2207 14.2207 k = 0.3906 0.3906 0.3906 ( 2941 PWs) bands (ev): -15.0027 -15.0027 -8.7437 -8.7437 -8.7006 -8.7006 -8.5324 -8.5324 -8.1756 -8.1756 -8.1282 -8.1282 -5.9904 -5.9904 -5.9883 -5.9883 -5.9719 -5.9719 0.6388 0.6388 2.2034 2.2034 2.2135 2.2135 2.5661 2.5661 5.0964 5.0964 5.2836 5.2836 5.9114 5.9114 6.6128 6.6128 6.8207 6.8207 8.4929 8.4929 8.5238 8.5238 8.5664 8.5664 8.9323 8.9323 12.1900 12.1900 13.8548 13.8548 14.2390 14.2390 k = 0.3984 0.3984 0.3984 ( 2941 PWs) bands (ev): -14.9915 -14.9915 -8.7489 -8.7489 -8.7098 -8.7098 -8.5511 -8.5511 -8.1828 -8.1828 -8.1450 -8.1450 -5.9887 -5.9887 -5.9865 -5.9865 -5.9709 -5.9709 0.7158 0.7158 2.2747 2.2747 2.3108 2.3108 2.6248 2.6248 5.0602 5.0602 5.2500 5.2500 5.8059 5.8059 6.5141 6.5141 6.7072 6.7072 8.5064 8.5064 8.5336 8.5336 8.5696 8.5696 8.8742 8.8742 12.2447 12.2447 13.9122 13.9122 14.2573 14.2573 k = 0.4062 0.4062 0.4062 ( 2941 PWs) bands (ev): -14.9810 -14.9810 -8.7540 -8.7540 -8.7190 -8.7190 -8.5690 -8.5690 -8.1893 -8.1893 -8.1596 -8.1596 -5.9871 -5.9871 -5.9849 -5.9849 -5.9698 -5.9698 0.7893 0.7893 2.3315 2.3315 2.4164 2.4164 2.6861 2.6861 5.0259 5.0259 5.2187 5.2187 5.7037 5.7037 6.4182 6.4182 6.5951 6.5951 8.5189 8.5189 8.5431 8.5431 8.5735 8.5735 8.8192 8.8192 12.2961 12.2961 13.9699 13.9699 14.2752 14.2752 k = 0.4141 0.4141 0.4141 ( 2941 PWs) bands (ev): -14.9712 -14.9712 -8.7588 -8.7588 -8.7279 -8.7279 -8.5860 -8.5860 -8.1953 -8.1953 -8.1722 -8.1722 -5.9856 -5.9856 -5.9835 -5.9835 -5.9687 -5.9687 0.8590 0.8590 2.3840 2.3840 2.5196 2.5196 2.7491 2.7491 4.9935 4.9935 5.1895 5.1895 5.6055 5.6055 6.3259 6.3259 6.4855 6.4855 8.5305 8.5305 8.5521 8.5521 8.5776 8.5776 8.7676 8.7676 12.3439 12.3439 14.0269 14.0269 14.2926 14.2926 k = 0.4219 0.4219 0.4219 ( 2944 PWs) bands (ev): -14.9622 -14.9622 -8.7633 -8.7633 -8.7366 -8.7366 -8.6019 -8.6019 -8.2006 -8.2006 -8.1829 -8.1829 -5.9842 -5.9842 -5.9823 -5.9823 -5.9676 -5.9676 0.9244 0.9244 2.4326 2.4326 2.6197 2.6197 2.8126 2.8126 4.9627 4.9627 5.1626 5.1626 5.5121 5.5121 6.2376 6.2376 6.3790 6.3790 8.5410 8.5410 8.5607 8.5607 8.5818 8.5818 8.7196 8.7196 12.3880 12.3880 14.0825 14.0825 14.3093 14.3093 k = 0.4297 0.4297 0.4297 ( 2947 PWs) bands (ev): -14.9539 -14.9539 -8.7675 -8.7675 -8.7450 -8.7450 -8.6166 -8.6166 -8.2053 -8.2053 -8.1920 -8.1920 -5.9829 -5.9829 -5.9812 -5.9812 -5.9665 -5.9665 0.9853 0.9853 2.4775 2.4775 2.7161 2.7161 2.8755 2.8755 4.9336 4.9336 5.1380 5.1380 5.4243 5.4243 6.1540 6.1540 6.2767 6.2767 8.5503 8.5503 8.5687 8.5687 8.5860 8.5860 8.6754 8.6754 12.4281 12.4281 14.1360 14.1360 14.3252 14.3252 k = 0.4375 0.4375 0.4375 ( 2944 PWs) bands (ev): -14.9463 -14.9463 -8.7713 -8.7713 -8.7528 -8.7528 -8.6300 -8.6300 -8.2095 -8.2095 -8.1997 -8.1997 -5.9817 -5.9817 -5.9802 -5.9802 -5.9654 -5.9654 1.0412 1.0412 2.5189 2.5189 2.8079 2.8079 2.9367 2.9367 4.9059 4.9059 5.1157 5.1157 5.3432 5.3432 6.0761 6.0761 6.1796 6.1796 8.5582 8.5582 8.5760 8.5760 8.5900 8.5900 8.6357 8.6357 12.4642 12.4642 14.1865 14.1865 14.3399 14.3399 k = 0.4453 0.4453 0.4453 ( 2944 PWs) bands (ev): -14.9396 -14.9396 -8.7748 -8.7748 -8.7601 -8.7601 -8.6420 -8.6420 -8.2131 -8.2131 -8.2061 -8.2061 -5.9807 -5.9807 -5.9794 -5.9794 -5.9645 -5.9645 1.0916 1.0916 2.5567 2.5567 2.8939 2.8939 2.9949 2.9949 4.8796 4.8796 5.0958 5.0958 5.2697 5.2697 6.0044 6.0044 6.0888 6.0888 8.5639 8.5639 8.5824 8.5824 8.5937 8.5937 8.6015 8.6015 12.4961 12.4961 14.2331 14.2331 14.3533 14.3533 k = 0.4531 0.4531 0.4531 ( 2944 PWs) bands (ev): -14.9338 -14.9338 -8.7778 -8.7778 -8.7667 -8.7667 -8.6524 -8.6524 -8.2162 -8.2162 -8.2114 -8.2114 -5.9797 -5.9797 -5.9788 -5.9788 -5.9635 -5.9635 1.1363 1.1363 2.5906 2.5906 2.9730 2.9730 3.0490 3.0490 4.8544 4.8544 5.0782 5.0782 5.2049 5.2049 5.9399 5.9399 6.0056 6.0056 8.5588 8.5588 8.5800 8.5800 8.5898 8.5898 8.5970 8.5970 12.5239 12.5239 14.2753 14.2753 14.3654 14.3654 k = 0.4609 0.4609 0.4609 ( 2944 PWs) bands (ev): -14.9287 -14.9287 -8.7805 -8.7805 -8.7725 -8.7725 -8.6612 -8.6612 -8.2188 -8.2188 -8.2156 -8.2156 -5.9789 -5.9789 -5.9782 -5.9782 -5.9627 -5.9627 1.1747 1.1747 2.6204 2.6204 3.0438 3.0438 3.0978 3.0978 4.8307 4.8307 5.0632 5.0632 5.1497 5.1497 5.8833 5.8833 5.9315 5.9315 8.5364 8.5364 8.5810 8.5810 8.5946 8.5946 8.6000 8.6000 12.5475 12.5475 14.3122 14.3122 14.3758 14.3758 k = 0.4688 0.4687 0.4687 ( 2944 PWs) bands (ev): -14.9246 -14.9246 -8.7827 -8.7827 -8.7775 -8.7775 -8.6685 -8.6685 -8.2209 -8.2209 -8.2189 -8.2189 -5.9782 -5.9782 -5.9778 -5.9778 -5.9621 -5.9621 1.2067 1.2067 2.6455 2.6455 3.1047 3.1047 3.1400 3.1400 4.8088 4.8088 5.0506 5.0506 5.1048 5.1048 5.8357 5.8357 5.8679 5.8679 8.5149 8.5149 8.5844 8.5844 8.5989 8.5989 8.6024 8.6024 12.5668 12.5668 14.3433 14.3433 14.3846 14.3846 k = 0.4766 0.4766 0.4766 ( 2944 PWs) bands (ev): -14.9214 -14.9214 -8.7844 -8.7844 -8.7814 -8.7814 -8.6741 -8.6741 -8.2225 -8.2225 -8.2215 -8.2215 -5.9777 -5.9777 -5.9774 -5.9774 -5.9615 -5.9615 1.2319 1.2319 2.6657 2.6657 3.1543 3.1543 3.1745 3.1745 4.7897 4.7897 5.0406 5.0406 5.0704 5.0704 5.7976 5.7976 5.8165 5.8165 8.4976 8.4976 8.5873 8.5873 8.6023 8.6023 8.6043 8.6043 12.5818 12.5818 14.3680 14.3680 14.3915 14.3915 k = 0.4844 0.4844 0.4844 ( 2932 PWs) bands (ev): -14.9191 -14.9191 -8.7856 -8.7856 -8.7843 -8.7843 -8.6781 -8.6781 -8.2237 -8.2237 -8.2232 -8.2232 -5.9773 -5.9773 -5.9772 -5.9772 -5.9611 -5.9611 1.2500 1.2500 2.6805 2.6805 3.1910 3.1910 3.2001 3.2001 4.7745 4.7745 5.0334 5.0334 5.0463 5.0463 5.7699 5.7699 5.7785 5.7785 8.4852 8.4852 8.5895 8.5895 8.6048 8.6048 8.6057 8.6057 12.5926 12.5926 14.3860 14.3860 14.3965 14.3965 k = 0.4922 0.4922 0.4922 ( 2926 PWs) bands (ev): -14.9177 -14.9177 -8.7863 -8.7863 -8.7860 -8.7860 -8.6805 -8.6805 -8.2244 -8.2244 -8.2243 -8.2243 -5.9771 -5.9771 -5.9771 -5.9771 -5.9608 -5.9608 1.2610 1.2610 2.6895 2.6895 3.2136 3.2136 3.2159 3.2159 4.7648 4.7648 5.0290 5.0290 5.0322 5.0322 5.7530 5.7530 5.7552 5.7552 8.4776 8.4776 8.5908 8.5908 8.6064 8.6064 8.6066 8.6066 12.5991 12.5991 14.3969 14.3969 14.3996 14.3996 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -14.9172 -14.9172 -8.7866 -8.7866 -8.7866 -8.7866 -8.6813 -8.6813 -8.2246 -8.2246 -8.2246 -8.2246 -5.9770 -5.9770 -5.9770 -5.9770 -5.9607 -5.9607 1.2647 1.2647 2.6926 2.6926 3.2213 3.2213 3.2213 3.2213 4.7614 4.7614 5.0275 5.0275 5.0275 5.0275 5.7474 5.7474 5.7474 5.7474 8.4752 8.4752 8.5913 8.5913 8.6069 8.6069 8.6069 8.6069 12.6013 12.6013 14.4006 14.4006 14.4006 14.4006 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -14.9172 -14.9172 -8.7866 -8.7866 -8.7866 -8.7866 -8.6813 -8.6813 -8.2246 -8.2246 -8.2246 -8.2246 -5.9770 -5.9770 -5.9770 -5.9770 -5.9607 -5.9607 1.2647 1.2647 2.6926 2.6926 3.2213 3.2213 3.2213 3.2213 4.7614 4.7614 5.0275 5.0275 5.0275 5.0275 5.7474 5.7474 5.7474 5.7474 8.4752 8.4752 8.5913 8.5913 8.6069 8.6069 8.6069 8.6069 12.6013 12.6013 14.4006 14.4006 14.4006 14.4006 k = 0.4904 0.5000 0.4904 ( 2920 PWs) bands (ev): -14.9177 -14.9177 -8.7863 -8.7863 -8.7860 -8.7860 -8.6805 -8.6805 -8.2246 -8.2246 -8.2240 -8.2240 -5.9771 -5.9771 -5.9770 -5.9770 -5.9608 -5.9608 1.2610 1.2610 2.6895 2.6895 3.2117 3.2117 3.2177 3.2177 4.7648 4.7648 5.0291 5.0291 5.0321 5.0321 5.7506 5.7506 5.7577 5.7577 8.4777 8.4777 8.5908 8.5908 8.6063 8.6063 8.6066 8.6066 12.5990 12.5990 14.3970 14.3970 14.3994 14.3994 k = 0.4808 0.5000 0.4808 ( 2940 PWs) bands (ev): -14.9191 -14.9191 -8.7856 -8.7856 -8.7842 -8.7842 -8.6781 -8.6781 -8.2246 -8.2246 -8.2223 -8.2223 -5.9774 -5.9774 -5.9772 -5.9772 -5.9611 -5.9611 1.2499 1.2499 2.6804 2.6804 3.1834 3.1834 3.2074 3.2074 4.7748 4.7748 5.0340 5.0340 5.0459 5.0459 5.7603 5.7603 5.7884 5.7884 8.4853 8.4853 8.5895 8.5895 8.6047 8.6047 8.6058 8.6058 12.5925 12.5925 14.3864 14.3864 14.3959 14.3959 k = 0.4712 0.5000 0.4712 ( 2940 PWs) bands (ev): -14.9214 -14.9214 -8.7845 -8.7845 -8.7813 -8.7813 -8.6740 -8.6740 -8.2245 -8.2245 -8.2194 -8.2194 -5.9778 -5.9778 -5.9773 -5.9773 -5.9615 -5.9615 1.2314 1.2314 2.6655 2.6655 3.1378 3.1378 3.1909 3.1909 4.7903 4.7903 5.0421 5.0421 5.0692 5.0692 5.7761 5.7761 5.8380 5.8380 8.4980 8.4980 8.5871 8.5871 8.6022 8.6022 8.6045 8.6045 12.5817 12.5817 14.3689 14.3689 14.3902 14.3902 k = 0.4615 0.5000 0.4615 ( 2944 PWs) bands (ev): -14.9247 -14.9247 -8.7829 -8.7829 -8.7773 -8.7773 -8.6683 -8.6683 -8.2244 -8.2244 -8.2153 -8.2153 -5.9784 -5.9784 -5.9776 -5.9776 -5.9621 -5.9621 1.2055 1.2055 2.6452 2.6452 3.0768 3.0768 3.1690 3.1690 4.8103 4.8103 5.0535 5.0535 5.1024 5.1024 5.7976 5.7976 5.9048 5.9048 8.5157 8.5157 8.5839 8.5839 8.5987 8.5987 8.6028 8.6028 12.5665 12.5665 14.3446 14.3446 14.3824 14.3824 k = 0.4519 0.5000 0.4519 ( 2944 PWs) bands (ev): -14.9288 -14.9288 -8.7809 -8.7809 -8.7724 -8.7724 -8.6609 -8.6609 -8.2241 -8.2241 -8.2099 -8.2099 -5.9792 -5.9792 -5.9779 -5.9779 -5.9627 -5.9627 1.1724 1.1724 2.6199 2.6199 3.0024 3.0024 3.1430 3.1430 4.8333 4.8333 5.0681 5.0681 5.1455 5.1455 5.8240 5.8240 5.9865 5.9865 8.5379 8.5379 8.5798 8.5798 8.5946 8.5946 8.6005 8.6005 12.5472 12.5472 14.3140 14.3140 14.3725 14.3725 k = 0.4423 0.5000 0.4423 ( 2944 PWs) bands (ev): -14.9338 -14.9338 -8.7785 -8.7785 -8.7666 -8.7666 -8.6520 -8.6520 -8.2236 -8.2236 -8.2031 -8.2031 -5.9802 -5.9802 -5.9783 -5.9783 -5.9636 -5.9636 1.1320 1.1320 2.5902 2.5902 2.9168 2.9168 3.1140 3.1140 4.8584 4.8584 5.0859 5.0859 5.1984 5.1984 5.8547 5.8547 6.0809 6.0809 8.5608 8.5608 8.5779 8.5779 8.5908 8.5908 8.5978 8.5978 12.5237 12.5237 14.2775 14.2775 14.3609 14.3609 k = 0.4327 0.5000 0.4327 ( 2944 PWs) bands (ev): -14.9397 -14.9397 -8.7758 -8.7758 -8.7602 -8.7602 -8.6415 -8.6415 -8.2229 -8.2229 -8.1949 -8.1949 -5.9813 -5.9813 -5.9788 -5.9788 -5.9645 -5.9645 1.0847 1.0847 2.5566 2.5566 2.8221 2.8221 3.0832 3.0832 4.8847 4.8847 5.1069 5.1069 5.2607 5.2607 5.8888 5.8888 6.1859 6.1859 8.5631 8.5631 8.5809 8.5809 8.5943 8.5943 8.6063 8.6063 12.4961 12.4961 14.2353 14.2353 14.3477 14.3477 k = 0.4231 0.5000 0.4231 ( 2944 PWs) bands (ev): -14.9464 -14.9464 -8.7728 -8.7728 -8.7532 -8.7532 -8.6296 -8.6296 -8.2218 -8.2218 -8.1850 -8.1850 -5.9826 -5.9826 -5.9794 -5.9794 -5.9655 -5.9655 1.0304 1.0304 2.5197 2.5197 2.7199 2.7199 3.0516 3.0516 4.9121 4.9121 5.1312 5.1312 5.3316 5.3316 5.9256 5.9256 6.2996 6.2996 8.5561 8.5561 8.5751 8.5751 8.5905 8.5905 8.6429 8.6429 12.4646 12.4646 14.1881 14.1881 14.3331 14.3331 k = 0.4135 0.5000 0.4135 ( 2940 PWs) bands (ev): -14.9539 -14.9539 -8.7696 -8.7696 -8.7457 -8.7457 -8.6166 -8.6166 -8.2201 -8.2201 -8.1734 -8.1734 -5.9841 -5.9841 -5.9800 -5.9800 -5.9665 -5.9665 0.9696 0.9696 2.4798 2.4798 2.6119 2.6119 3.0203 3.0203 4.9402 4.9402 5.1588 5.1588 5.4103 5.4103 5.9641 5.9641 6.4203 6.4203 8.5474 8.5474 8.5678 8.5678 8.5858 8.5858 8.6863 8.6863 12.4294 12.4294 14.1363 14.1363 14.3174 14.3174 k = 0.4038 0.5000 0.4038 ( 2946 PWs) bands (ev): -14.9621 -14.9621 -8.7661 -8.7661 -8.7379 -8.7379 -8.6026 -8.6026 -8.2178 -8.2178 -8.1598 -8.1598 -5.9858 -5.9858 -5.9808 -5.9808 -5.9676 -5.9676 0.9026 0.9026 2.4371 2.4371 2.4998 2.4998 2.9900 2.9900 4.9691 4.9691 5.1896 5.1896 5.4957 5.4957 6.0037 6.0037 6.5466 6.5466 8.5377 8.5377 8.5596 8.5596 8.5804 8.5804 8.7351 8.7351 12.3907 12.3907 14.0804 14.0804 14.3008 14.3008 k = 0.3942 0.5000 0.3942 ( 2954 PWs) bands (ev): -14.9710 -14.9710 -8.7625 -8.7625 -8.7298 -8.7298 -8.5881 -8.5881 -8.2147 -8.2147 -8.1441 -8.1441 -5.9875 -5.9875 -5.9816 -5.9816 -5.9688 -5.9688 0.8296 0.8296 2.3752 2.3752 2.4012 2.4012 2.9612 2.9612 4.9989 4.9989 5.2236 5.2236 5.5869 5.5869 6.0437 6.0437 6.6771 6.6771 8.5275 8.5275 8.5506 8.5506 8.5741 8.5741 8.7890 8.7890 12.3488 12.3488 14.0211 14.0211 14.2836 14.2836 k = 0.3846 0.5000 0.3846 ( 2954 PWs) bands (ev): -14.9806 -14.9806 -8.7586 -8.7586 -8.7215 -8.7215 -8.5733 -8.5733 -8.2105 -8.2105 -8.1261 -8.1261 -5.9894 -5.9894 -5.9826 -5.9826 -5.9699 -5.9699 0.7511 0.7511 2.2596 2.2596 2.3522 2.3522 2.9343 2.9343 5.0297 5.0297 5.2609 5.2609 5.6831 5.6831 6.0835 6.0835 6.8106 6.8106 8.5169 8.5169 8.5407 8.5407 8.5670 8.5670 8.8478 8.8478 12.3039 12.3039 13.9589 13.9589 14.2659 14.2659 k = 0.3750 0.5000 0.3750 ( 2950 PWs) bands (ev): -14.9908 -14.9908 -8.7547 -8.7547 -8.7131 -8.7131 -8.5588 -8.5588 -8.2051 -8.2051 -8.1055 -8.1055 -5.9915 -5.9915 -5.9837 -5.9837 -5.9711 -5.9711 0.6676 0.6676 2.1379 2.1379 2.3063 2.3063 2.9096 2.9096 5.0616 5.0616 5.3013 5.3013 5.7835 5.7835 6.1226 6.1226 6.9461 6.9461 8.5063 8.5063 8.5300 8.5300 8.5591 8.5591 8.9113 8.9113 12.2565 12.2565 13.8943 13.8943 14.2479 14.2479 k = 0.3654 0.5000 0.3654 ( 2950 PWs) bands (ev): -15.0016 -15.0016 -8.7506 -8.7506 -8.7047 -8.7047 -8.5448 -8.5448 -8.1982 -8.1982 -8.0823 -8.0823 -5.9936 -5.9936 -5.9848 -5.9848 -5.9722 -5.9722 0.5796 0.5796 2.0139 2.0139 2.2606 2.2606 2.8872 2.8872 5.0945 5.0945 5.3449 5.3449 5.8872 5.8872 6.1606 6.1606 7.0821 7.0821 8.4957 8.4957 8.5186 8.5186 8.5506 8.5506 8.9794 8.9794 12.2069 12.2069 13.8279 13.8279 14.2299 14.2299 k = 0.3558 0.5000 0.3558 ( 2942 PWs) bands (ev): -15.0129 -15.0129 -8.7464 -8.7464 -8.6963 -8.6963 -8.5319 -8.5319 -8.1897 -8.1897 -8.0561 -8.0561 -5.9958 -5.9958 -5.9861 -5.9861 -5.9734 -5.9734 0.4874 0.4874 1.8886 1.8886 2.2151 2.2151 2.8671 2.8671 5.1287 5.1287 5.3915 5.3915 5.9935 5.9935 6.1974 6.1974 7.2175 7.2175 8.4852 8.4852 8.5067 8.5067 8.5423 8.5423 9.0517 9.0517 12.1557 12.1557 13.7601 13.7601 14.2120 14.2120 k = 0.3462 0.5000 0.3462 ( 2948 PWs) bands (ev): -15.0246 -15.0246 -8.7421 -8.7421 -8.6880 -8.6880 -8.5203 -8.5203 -8.1793 -8.1793 -8.0268 -8.0268 -5.9981 -5.9981 -5.9874 -5.9874 -5.9745 -5.9745 0.3917 0.3917 1.7622 1.7622 2.1702 2.1702 2.8492 2.8492 5.1641 5.1641 5.4411 5.4411 6.1014 6.1014 6.2329 6.2329 7.3504 7.3504 8.4744 8.4744 8.4942 8.4942 8.5355 8.5355 9.1280 9.1280 12.1031 12.1031 13.6915 13.6915 14.1944 14.1944 k = 0.3365 0.5000 0.3365 ( 2944 PWs) bands (ev): -15.0368 -15.0368 -8.7378 -8.7378 -8.6799 -8.6799 -8.5103 -8.5103 -8.1671 -8.1671 -7.9944 -7.9944 -6.0004 -6.0004 -5.9889 -5.9889 -5.9756 -5.9756 0.2929 0.2929 1.6352 1.6352 2.1260 2.1260 2.8335 2.8335 5.2008 5.2008 5.4936 5.4936 6.2082 6.2082 6.2692 6.2692 7.4787 7.4787 8.4623 8.4623 8.4810 8.4810 8.5331 8.5331 9.2080 9.2080 12.0498 12.0498 13.6226 13.6226 14.1770 14.1770 k = 0.3269 0.5000 0.3269 ( 2948 PWs) bands (ev): -15.0494 -15.0494 -8.7335 -8.7335 -8.6720 -8.6720 -8.5020 -8.5020 -8.1529 -8.1529 -7.9589 -7.9589 -6.0027 -6.0027 -5.9904 -5.9904 -5.9768 -5.9768 0.1914 0.1914 1.5079 1.5079 2.0830 2.0830 2.8199 2.8199 5.2388 5.2388 5.5489 5.5489 6.2852 6.2852 6.3340 6.3340 7.5997 7.5997 8.4482 8.4482 8.4664 8.4664 8.5390 8.5390 9.2913 9.2913 11.9962 11.9962 13.5538 13.5538 14.1602 14.1602 k = 0.3173 0.5000 0.3173 ( 2944 PWs) bands (ev): -15.0622 -15.0622 -8.7292 -8.7292 -8.6644 -8.6644 -8.4953 -8.4953 -8.1367 -8.1367 -7.9203 -7.9203 -6.0050 -6.0050 -5.9920 -5.9920 -5.9779 -5.9779 0.0877 0.0877 1.3805 1.3805 2.0412 2.0412 2.8083 2.8083 5.2781 5.2781 5.6069 5.6069 6.3193 6.3193 6.4398 6.4398 7.7094 7.7094 8.4319 8.4319 8.4499 8.4499 8.5575 8.5575 9.3777 9.3777 11.9427 11.9427 13.4857 13.4857 14.1438 14.1438 k = 0.3077 0.5000 0.3077 ( 2944 PWs) bands (ev): -15.0753 -15.0753 -8.7249 -8.7249 -8.6571 -8.6571 -8.4903 -8.4903 -8.1186 -8.1186 -7.8786 -7.8786 -6.0073 -6.0073 -5.9937 -5.9937 -5.9790 -5.9790 -0.0177 -0.0177 1.2534 1.2534 2.0008 2.0008 2.7985 2.7985 5.3187 5.3187 5.6675 5.6675 6.3471 6.3471 6.5493 6.5493 7.8036 7.8036 8.4134 8.4134 8.4316 8.4316 8.5925 8.5925 9.4666 9.4666 11.8899 11.8899 13.4188 13.4188 14.1280 14.1280 k = 0.2981 0.5000 0.2981 ( 2932 PWs) bands (ev): -15.0886 -15.0886 -8.7207 -8.7207 -8.6502 -8.6502 -8.4867 -8.4867 -8.0988 -8.0988 -7.8340 -7.8340 -6.0095 -6.0095 -5.9954 -5.9954 -5.9802 -5.9802 -0.1245 -0.1245 1.1266 1.1266 1.9619 1.9619 2.7905 2.7905 5.3605 5.3605 5.7306 5.7306 6.3722 6.3722 6.6582 6.6582 7.8784 7.8784 8.3928 8.3928 8.4118 8.4118 8.6474 8.6474 9.5579 9.5579 11.8380 11.8380 13.3534 13.3534 14.1129 14.1129 k = 0.2885 0.5000 0.2885 ( 2936 PWs) bands (ev): -15.1021 -15.1021 -8.7166 -8.7166 -8.6438 -8.6438 -8.4844 -8.4844 -8.0772 -8.0772 -7.7867 -7.7867 -6.0117 -6.0117 -5.9972 -5.9972 -5.9813 -5.9813 -0.2322 -0.2322 1.0005 1.0005 1.9247 1.9247 2.7841 2.7841 5.4037 5.4037 5.7960 5.7960 6.3951 6.3951 6.7652 6.7652 7.9324 7.9324 8.3704 8.3704 8.3911 8.3911 8.7230 8.7230 9.6511 9.6511 11.7873 11.7873 13.2901 13.2901 14.0984 14.0984 k = 0.2788 0.5000 0.2788 ( 2932 PWs) bands (ev): -15.1156 -15.1156 -8.7126 -8.7126 -8.6379 -8.6379 -8.4832 -8.4832 -8.0541 -8.0541 -7.7369 -7.7369 -6.0138 -6.0138 -5.9990 -5.9990 -5.9825 -5.9825 -0.3406 -0.3406 0.8753 0.8753 1.8891 1.8891 2.7792 2.7792 5.4480 5.4480 5.8636 5.8636 6.4161 6.4161 6.8690 6.8690 7.9672 7.9672 8.3466 8.3466 8.3695 8.3695 8.8173 8.8173 9.7459 9.7459 11.7382 11.7382 13.2294 13.2294 14.0847 14.0847 k = 0.2692 0.5000 0.2692 ( 2928 PWs) bands (ev): -15.1292 -15.1292 -8.7087 -8.7087 -8.6324 -8.6324 -8.4829 -8.4829 -8.0296 -8.0296 -7.6847 -7.6847 -6.0158 -6.0158 -6.0008 -6.0008 -5.9837 -5.9837 -0.4492 -0.4492 0.7511 0.7511 1.8553 1.8553 2.7758 2.7758 5.4935 5.4935 5.9333 5.9333 6.4352 6.4352 6.9685 6.9685 7.9866 7.9866 8.3222 8.3222 8.3473 8.3473 8.9262 8.9262 9.8418 9.8418 11.6906 11.6906 13.1718 13.1718 14.0716 14.0716 k = 0.2596 0.5000 0.2596 ( 2920 PWs) bands (ev): -15.1428 -15.1428 -8.7050 -8.7050 -8.6275 -8.6275 -8.4832 -8.4832 -8.0038 -8.0038 -7.6305 -7.6305 -6.0177 -6.0177 -6.0026 -6.0026 -5.9849 -5.9849 -0.5578 -0.5578 0.6281 0.6281 1.8232 1.8232 2.7738 2.7738 5.5402 5.5402 6.0048 6.0048 6.4527 6.4527 7.0622 7.0622 7.9946 7.9946 8.2983 8.2983 8.3244 8.3244 9.0452 9.0452 9.9386 9.9386 11.6448 11.6448 13.1179 13.1179 14.0594 14.0594 k = 0.2500 0.5000 0.2500 ( 2916 PWs) bands (ev): -15.1563 -15.1563 -8.7015 -8.7015 -8.6232 -8.6232 -8.4840 -8.4840 -7.9769 -7.9769 -7.5743 -7.5743 -6.0195 -6.0195 -6.0044 -6.0044 -5.9861 -5.9861 -0.6661 -0.6661 0.5065 0.5065 1.7929 1.7929 2.7730 2.7730 5.5879 5.5879 6.0780 6.0780 6.4688 6.4688 7.1483 7.1483 7.9947 7.9947 8.2762 8.2762 8.3010 8.3010 9.1708 9.1708 10.0359 10.0359 11.6005 11.6005 13.0682 13.0682 14.0480 14.0480 k = 0.2404 0.5000 0.2404 ( 2924 PWs) bands (ev): -15.1698 -15.1698 -8.6983 -8.6983 -8.6194 -8.6194 -8.4851 -8.4851 -7.9490 -7.9490 -7.5165 -7.5165 -6.0213 -6.0213 -6.0063 -6.0063 -5.9873 -5.9873 -0.7737 -0.7737 0.3866 0.3866 1.7643 1.7643 2.7735 2.7735 5.6367 5.6367 6.1525 6.1525 6.4836 6.4836 7.2247 7.2247 7.9894 7.9894 8.2570 8.2570 8.2781 8.2781 9.3000 9.3000 10.1334 10.1334 11.5576 11.5576 13.0231 13.0231 14.0374 14.0374 k = 0.2308 0.5000 0.2308 ( 2922 PWs) bands (ev): -15.1830 -15.1830 -8.6953 -8.6953 -8.6162 -8.6162 -8.4863 -8.4863 -7.9202 -7.9202 -7.4572 -7.4572 -6.0229 -6.0229 -6.0081 -6.0081 -5.9886 -5.9886 -0.8805 -0.8805 0.2685 0.2685 1.7375 1.7375 2.7752 2.7752 5.6864 5.6864 6.2280 6.2280 6.4976 6.4976 7.2890 7.2890 7.9802 7.9802 8.2387 8.2387 8.2598 8.2598 9.4310 9.4310 10.2306 10.2306 11.5160 11.5160 12.9833 12.9833 14.0279 14.0279 k = 0.2212 0.5000 0.2212 ( 2922 PWs) bands (ev): -15.1961 -15.1961 -8.6925 -8.6925 -8.6136 -8.6136 -8.4875 -8.4875 -7.8906 -7.8906 -7.3968 -7.3968 -6.0244 -6.0244 -6.0099 -6.0099 -5.9899 -5.9899 -0.9861 -0.9861 0.1525 0.1525 1.7124 1.7124 2.7779 2.7779 5.7370 5.7370 6.3036 6.3036 6.5114 6.5114 7.3387 7.3387 7.9684 7.9684 8.2158 8.2158 8.2540 8.2540 9.5623 9.5623 10.3272 10.3272 11.4754 11.4754 12.9491 12.9491 14.0193 14.0193 k = 0.2115 0.5000 0.2115 ( 2926 PWs) bands (ev): -15.2090 -15.2090 -8.6901 -8.6901 -8.6115 -8.6115 -8.4886 -8.4886 -7.8604 -7.8604 -7.3353 -7.3353 -6.0258 -6.0258 -6.0116 -6.0116 -5.9912 -5.9912 -1.0903 -1.0903 0.0387 0.0387 1.6889 1.6889 2.7816 2.7816 5.7884 5.7884 6.3776 6.3776 6.5266 6.5266 7.3719 7.3719 7.9548 7.9548 8.1892 8.1892 8.2618 8.2618 9.6927 9.6927 10.4229 10.4229 11.4354 11.4354 12.9209 12.9209 14.0118 14.0118 k = 0.2019 0.5000 0.2019 ( 2920 PWs) bands (ev): -15.2215 -15.2215 -8.6880 -8.6880 -8.6099 -8.6099 -8.4895 -8.4895 -7.8298 -7.8298 -7.2731 -7.2731 -6.0271 -6.0271 -6.0133 -6.0133 -5.9926 -5.9926 -1.1929 -1.1929 -0.0726 -0.0726 1.6670 1.6670 2.7863 2.7863 5.8404 5.8404 6.4447 6.4447 6.5486 6.5486 7.3880 7.3880 7.9401 7.9401 8.1607 8.1607 8.2819 8.2819 9.8214 9.8214 10.5170 10.5170 11.3961 11.3961 12.8990 12.8990 14.0057 14.0057 k = 0.1923 0.5000 0.1923 ( 2924 PWs) bands (ev): -15.2338 -15.2338 -8.6863 -8.6863 -8.6089 -8.6089 -8.4902 -8.4902 -7.7989 -7.7989 -7.2104 -7.2104 -6.0283 -6.0283 -6.0149 -6.0149 -5.9939 -5.9939 -1.2936 -1.2936 -0.1813 -0.1813 1.6467 1.6467 2.7919 2.7919 5.8931 5.8931 6.4916 6.4916 6.5904 6.5904 7.3879 7.3879 7.9247 7.9247 8.1310 8.1310 8.3131 8.3131 9.9474 9.9474 10.6090 10.6090 11.3574 11.3574 12.8835 12.8835 14.0008 14.0008 k = 0.1827 0.5000 0.1827 ( 2924 PWs) bands (ev): -15.2457 -15.2457 -8.6850 -8.6850 -8.6082 -8.6082 -8.4906 -8.4906 -7.7678 -7.7678 -7.1475 -7.1475 -6.0295 -6.0295 -6.0165 -6.0165 -5.9953 -5.9953 -1.3921 -1.3921 -0.2870 -0.2870 1.6279 1.6279 2.7983 2.7983 5.9462 5.9462 6.5146 6.5146 6.6554 6.6554 7.3737 7.3737 7.9089 7.9089 8.1001 8.1001 8.3531 8.3531 10.0702 10.0702 10.6979 10.6979 11.3197 11.3197 12.8743 12.8743 13.9975 13.9975 k = 0.1731 0.5000 0.1731 ( 2922 PWs) bands (ev): -15.2572 -15.2572 -8.6840 -8.6840 -8.6080 -8.6080 -8.4907 -8.4907 -7.7367 -7.7367 -7.0845 -7.0845 -6.0306 -6.0306 -6.0180 -6.0180 -5.9966 -5.9966 -1.4884 -1.4884 -0.3895 -0.3895 1.6105 1.6105 2.8054 2.8054 5.9997 5.9997 6.5270 6.5270 6.7304 6.7304 7.3484 7.3484 7.8931 7.8931 8.0683 8.0683 8.3994 8.3994 10.1892 10.1892 10.7822 10.7822 11.2843 11.2843 12.8713 12.8713 13.9959 13.9959 k = 0.1635 0.5000 0.1635 ( 2922 PWs) bands (ev): -15.2683 -15.2683 -8.6835 -8.6835 -8.6079 -8.6079 -8.4905 -8.4905 -7.7058 -7.7058 -7.0219 -7.0219 -6.0317 -6.0317 -6.0193 -6.0193 -5.9980 -5.9980 -1.5820 -1.5820 -0.4887 -0.4887 1.5946 1.5946 2.8131 2.8131 6.0534 6.0534 6.5352 6.5352 6.8084 6.8084 7.3147 7.3147 7.8774 7.8774 8.0356 8.0356 8.4493 8.4493 10.3037 10.3037 10.8587 10.8587 11.2539 11.2539 12.8739 12.8739 13.9961 13.9961 k = 0.1538 0.5000 0.1538 ( 2926 PWs) bands (ev): -15.2789 -15.2789 -8.6833 -8.6833 -8.6081 -8.6081 -8.4901 -8.4901 -7.6752 -7.6752 -6.9598 -6.9598 -6.0328 -6.0328 -6.0206 -6.0206 -5.9993 -5.9993 -1.6728 -1.6728 -0.5842 -0.5842 1.5799 1.5799 2.8214 2.8214 6.1071 6.1071 6.5414 6.5414 6.8871 6.8871 7.2754 7.2754 7.8620 7.8620 8.0020 8.0020 8.5009 8.5009 10.4132 10.4132 10.9211 10.9211 11.2348 11.2348 12.8815 12.8815 13.9984 13.9984 k = 0.1442 0.5000 0.1442 ( 2926 PWs) bands (ev): -15.2890 -15.2890 -8.6836 -8.6836 -8.6084 -8.6084 -8.4894 -8.4894 -7.6452 -7.6452 -6.8986 -6.8986 -6.0339 -6.0339 -6.0217 -6.0217 -6.0006 -6.0006 -1.7604 -1.7604 -0.6758 -0.6758 1.5666 1.5666 2.8301 2.8301 6.1608 6.1608 6.5463 6.5463 6.9650 6.9650 7.2326 7.2326 7.8470 7.8470 7.9677 7.9677 8.5524 8.5524 10.5170 10.5170 10.9588 10.9588 11.2375 11.2375 12.8934 12.8934 14.0028 14.0028 k = 0.1346 0.5000 0.1346 ( 2926 PWs) bands (ev): -15.2986 -15.2986 -8.6841 -8.6841 -8.6087 -8.6087 -8.4886 -8.4886 -7.6158 -7.6158 -6.8387 -6.8387 -6.0350 -6.0350 -6.0228 -6.0228 -6.0018 -6.0018 -1.8447 -1.8447 -0.7632 -0.7632 1.5544 1.5544 2.8392 2.8392 6.2141 6.2141 6.5503 6.5503 7.0401 7.0401 7.1896 7.1896 7.8326 7.8326 7.9327 7.9327 8.6027 8.6027 10.6143 10.6143 10.9654 10.9654 11.2690 11.2690 12.9086 12.9086 14.0095 14.0095 k = 0.1250 0.5000 0.1250 ( 2918 PWs) bands (ev): -15.3077 -15.3077 -8.6850 -8.6850 -8.6091 -8.6091 -8.4876 -8.4876 -7.5874 -7.5874 -6.7803 -6.7803 -6.0361 -6.0361 -6.0237 -6.0237 -6.0030 -6.0030 -1.9253 -1.9253 -0.8462 -0.8462 1.5434 1.5434 2.8485 2.8485 6.2669 6.2669 6.5537 6.5537 7.0978 7.0978 7.1615 7.1615 7.8189 7.8189 7.8971 7.8971 8.6510 8.6510 10.7034 10.7034 10.9496 10.9496 11.3218 11.3218 12.9264 12.9264 14.0185 14.0185 k = 0.1154 0.5000 0.1154 ( 2914 PWs) bands (ev): -15.3162 -15.3162 -8.6861 -8.6861 -8.6094 -8.6094 -8.4866 -8.4866 -7.5600 -7.5600 -6.7238 -6.7238 -6.0373 -6.0373 -6.0244 -6.0244 -6.0041 -6.0041 -2.0020 -2.0020 -0.9244 -0.9244 1.5335 1.5335 2.8579 2.8579 6.3189 6.3189 6.5566 6.5566 7.0803 7.0803 7.2069 7.2069 7.8058 7.8058 7.8612 7.8612 8.6965 8.6965 10.7787 10.7787 10.9284 10.9284 11.3842 11.3842 12.9457 12.9457 14.0299 14.0299 k = 0.1058 0.5000 0.1058 ( 2914 PWs) bands (ev): -15.3240 -15.3240 -8.6874 -8.6874 -8.6097 -8.6097 -8.4855 -8.4855 -7.5338 -7.5338 -6.6697 -6.6697 -6.0385 -6.0385 -6.0251 -6.0251 -6.0052 -6.0052 -2.0743 -2.0743 -0.9976 -0.9976 1.5246 1.5246 2.8672 2.8672 6.3696 6.3696 6.5591 6.5591 7.0386 7.0386 7.2751 7.2751 7.7937 7.7937 7.8251 7.8251 8.7389 8.7389 10.8170 10.8170 10.9319 10.9319 11.4492 11.4492 12.9656 12.9656 14.0434 14.0434 k = 0.0962 0.5000 0.0962 ( 2918 PWs) bands (ev): -15.3313 -15.3313 -8.6889 -8.6889 -8.6099 -8.6099 -8.4844 -8.4844 -7.5091 -7.5091 -6.6182 -6.6182 -6.0397 -6.0397 -6.0257 -6.0257 -6.0062 -6.0062 -2.1421 -2.1421 -1.0656 -1.0656 1.5167 1.5167 2.8764 2.8764 6.4186 6.4186 6.5615 6.5615 6.9962 6.9962 7.3430 7.3430 7.7823 7.7823 7.7891 7.7891 8.7780 8.7780 10.8018 10.8018 10.9798 10.9798 11.5133 11.5133 12.9853 12.9853 14.0589 14.0589 k = 0.0865 0.5000 0.0865 ( 2918 PWs) bands (ev): -15.3380 -15.3380 -8.6905 -8.6905 -8.6100 -8.6100 -8.4833 -8.4833 -7.4861 -7.4861 -6.5699 -6.5699 -6.0409 -6.0409 -6.0262 -6.0262 -6.0070 -6.0070 -2.2049 -2.2049 -1.1280 -1.1280 1.5097 1.5097 2.8853 2.8853 6.4650 6.4650 6.5642 6.5642 6.9559 6.9559 7.4078 7.4078 7.7532 7.7532 7.7721 7.7721 8.8135 8.8135 10.7678 10.7678 11.0394 11.0394 11.5747 11.5747 13.0042 13.0042 14.0759 14.0759 k = 0.0769 0.5000 0.0769 ( 2916 PWs) bands (ev): -15.3439 -15.3439 -8.6920 -8.6920 -8.6102 -8.6102 -8.4822 -8.4822 -7.4649 -7.4649 -6.5251 -6.5251 -6.0420 -6.0420 -6.0267 -6.0267 -6.0078 -6.0078 -2.2624 -2.2624 -1.1846 -1.1846 1.5036 1.5036 2.8937 2.8937 6.5068 6.5068 6.5687 6.5687 6.9189 6.9189 7.4685 7.4685 7.7182 7.7182 7.7627 7.7627 8.8454 8.8454 10.7303 10.7303 11.0967 11.0967 11.6319 11.6319 13.0217 13.0217 14.0939 14.0939 k = 0.0673 0.5000 0.0673 ( 2916 PWs) bands (ev): -15.3493 -15.3493 -8.6935 -8.6935 -8.6102 -8.6102 -8.4812 -8.4812 -7.4457 -7.4457 -6.4843 -6.4843 -6.0431 -6.0431 -6.0271 -6.0271 -6.0085 -6.0085 -2.3142 -2.3142 -1.2352 -1.2352 1.4983 1.4983 2.9015 2.9015 6.5379 6.5379 6.5803 6.5803 6.8861 6.8861 7.5244 7.5244 7.6843 7.6843 7.7544 7.7544 8.8735 8.8735 10.6934 10.6934 11.1486 11.1486 11.6842 11.6842 13.0375 13.0375 14.1123 14.1123 k = 0.0577 0.5000 0.0577 ( 2912 PWs) bands (ev): -15.3539 -15.3539 -8.6949 -8.6949 -8.6103 -8.6103 -8.4804 -8.4804 -7.4287 -7.4287 -6.4478 -6.4478 -6.0441 -6.0441 -6.0275 -6.0275 -6.0090 -6.0090 -2.3600 -2.3600 -1.2796 -1.2796 1.4938 1.4938 2.9086 2.9086 6.5513 6.5513 6.6051 6.6051 6.8584 6.8584 7.5745 7.5745 7.6522 7.6522 7.7473 7.7473 8.8979 8.8979 10.6589 10.6589 11.1941 11.1941 11.7309 11.7309 13.0513 13.0513 14.1303 14.1303 k = 0.0481 0.5000 0.0481 ( 2908 PWs) bands (ev): -15.3578 -15.3578 -8.6962 -8.6962 -8.6103 -8.6103 -8.4796 -8.4796 -7.4140 -7.4140 -6.4162 -6.4162 -6.0451 -6.0451 -6.0278 -6.0278 -6.0095 -6.0095 -2.3995 -2.3995 -1.3175 -1.3175 1.4901 1.4901 2.9149 2.9149 6.5555 6.5555 6.6330 6.6330 6.8369 6.8369 7.6164 7.6164 7.6245 7.6245 7.7413 7.7413 8.9185 8.9185 10.6278 10.6278 11.2330 11.2330 11.7713 11.7713 13.0629 13.0629 14.1472 14.1472 k = 0.0385 0.5000 0.0385 ( 2900 PWs) bands (ev): -15.3611 -15.3611 -8.6973 -8.6973 -8.6103 -8.6103 -8.4789 -8.4789 -7.4018 -7.4018 -6.3897 -6.3897 -6.0458 -6.0458 -6.0280 -6.0280 -6.0099 -6.0099 -2.4323 -2.4323 -1.3487 -1.3487 1.4870 1.4870 2.9202 2.9202 6.5572 6.5572 6.6559 6.6559 6.8227 6.8227 7.5958 7.5958 7.6552 7.6552 7.7368 7.7368 8.9354 8.9354 10.6010 10.6010 11.2650 11.2650 11.8051 11.8051 13.0723 13.0723 14.1623 14.1623 k = 0.0288 0.5000 0.0288 ( 2904 PWs) bands (ev): -15.3636 -15.3636 -8.6982 -8.6982 -8.6103 -8.6103 -8.4784 -8.4784 -7.3921 -7.3921 -6.3687 -6.3687 -6.0465 -6.0465 -6.0283 -6.0283 -6.0102 -6.0102 -2.4581 -2.4581 -1.3732 -1.3732 1.4847 1.4847 2.9244 2.9244 6.5580 6.5580 6.6713 6.6713 6.8159 6.8159 7.5739 7.5739 7.6834 7.6834 7.7341 7.7341 8.9485 8.9485 10.5794 10.5794 11.2899 11.2899 11.8317 11.8317 13.0796 13.0796 14.1748 14.1748 k = 0.0192 0.5000 0.0192 ( 2904 PWs) bands (ev): -15.3654 -15.3654 -8.6989 -8.6989 -8.6103 -8.6103 -8.4780 -8.4780 -7.3852 -7.3852 -6.3535 -6.3535 -6.0470 -6.0470 -6.0284 -6.0284 -6.0104 -6.0104 -2.4767 -2.4767 -1.3908 -1.3908 1.4831 1.4831 2.9275 2.9275 6.5584 6.5584 6.6794 6.6794 6.8149 6.8149 7.5571 7.5571 7.7021 7.7021 7.7340 7.7340 8.9579 8.9579 10.5636 10.5636 11.3078 11.3078 11.8509 11.8509 13.0848 13.0848 14.1842 14.1842 k = 0.0096 0.5000 0.0096 ( 2906 PWs) bands (ev): -15.3665 -15.3665 -8.6992 -8.6992 -8.6103 -8.6103 -8.4778 -8.4778 -7.3810 -7.3810 -6.3443 -6.3443 -6.0473 -6.0473 -6.0285 -6.0285 -6.0105 -6.0105 -2.4880 -2.4880 -1.4014 -1.4014 1.4821 1.4821 2.9293 2.9293 6.5585 6.5585 6.6826 6.6826 6.8164 6.8164 7.5466 7.5466 7.7109 7.7109 7.7366 7.7366 8.9635 8.9635 10.5538 10.5538 11.3185 11.3185 11.8626 11.8626 13.0878 13.0878 14.1900 14.1900 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): -15.3669 -15.3669 -8.6994 -8.6994 -8.6103 -8.6103 -8.4777 -8.4777 -7.3796 -7.3796 -6.3412 -6.3412 -6.0474 -6.0474 -6.0285 -6.0285 -6.0105 -6.0105 -2.4917 -2.4917 -1.4049 -1.4049 1.4818 1.4818 2.9300 2.9300 6.5585 6.5585 6.6834 6.6834 6.8173 6.8173 7.5431 7.5431 7.7131 7.7131 7.7383 7.7383 8.9653 8.9653 10.5506 10.5506 11.3221 11.3221 11.8665 11.8665 13.0889 13.0889 14.1919 14.1919 k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev): -15.1523 -15.1523 -8.6127 -8.6127 -8.6085 -8.6085 -8.5932 -8.5932 -8.4363 -8.4363 -6.8944 -6.8944 -6.0351 -6.0351 -6.0220 -6.0220 -5.9381 -5.9381 -1.9557 -1.9557 1.7390 1.7390 1.8602 1.8602 2.9115 2.9115 5.7345 5.7345 7.0716 7.0716 7.1040 7.1040 7.1433 7.1433 7.1503 7.1503 7.2699 7.2699 7.5226 7.5226 8.6143 8.6143 11.4190 11.4190 11.4749 11.4749 13.1516 13.1516 13.3122 13.3122 k = 0.5000 0.5000 0.0135 ( 2960 PWs) bands (ev): -15.1519 -15.1519 -8.6143 -8.6143 -8.6092 -8.6092 -8.5917 -8.5917 -8.4355 -8.4355 -6.8982 -6.8982 -6.0349 -6.0349 -6.0219 -6.0219 -5.9384 -5.9384 -1.9490 -1.9490 1.7402 1.7402 1.8608 1.8608 2.9119 2.9119 5.7345 5.7345 7.0136 7.0136 7.0415 7.0415 7.1996 7.1996 7.2119 7.2119 7.2662 7.2662 7.5222 7.5222 8.6143 8.6143 11.4124 11.4124 11.4770 11.4770 13.1532 13.1532 13.3146 13.3146 k = 0.5000 0.5000 0.0270 ( 2928 PWs) bands (ev): -15.1507 -15.1507 -8.6182 -8.6182 -8.6113 -8.6113 -8.5881 -8.5881 -8.4332 -8.4332 -6.9096 -6.9096 -6.0346 -6.0346 -6.0216 -6.0216 -5.9392 -5.9392 -1.9289 -1.9289 1.7436 1.7436 1.8623 1.8623 2.9132 2.9132 5.7346 5.7346 6.9295 6.9295 6.9600 6.9600 7.2476 7.2476 7.2862 7.2862 7.2906 7.2906 7.5209 7.5209 8.6142 8.6142 11.3927 11.3927 11.4832 11.4832 13.1582 13.1582 13.3216 13.3216 k = 0.5000 0.5000 0.0405 ( 2928 PWs) bands (ev): -15.1488 -15.1488 -8.6231 -8.6231 -8.6146 -8.6146 -8.5836 -8.5836 -8.4296 -8.4296 -6.9283 -6.9283 -6.0341 -6.0341 -6.0212 -6.0212 -5.9404 -5.9404 -1.8957 -1.8957 1.7493 1.7493 1.8650 1.8650 2.9152 2.9152 5.7347 5.7347 6.8427 6.8427 6.8770 6.8770 7.2281 7.2281 7.3659 7.3659 7.3690 7.3690 7.5188 7.5188 8.6141 8.6141 11.3600 11.3600 11.4936 11.4936 13.1665 13.1665 13.3331 13.3331 k = 0.5000 0.5000 0.0541 ( 2920 PWs) bands (ev): -15.1461 -15.1461 -8.6284 -8.6284 -8.6191 -8.6191 -8.5789 -8.5789 -8.4248 -8.4248 -6.9541 -6.9541 -6.0334 -6.0334 -6.0206 -6.0206 -5.9421 -5.9421 -1.8499 -1.8499 1.7572 1.7572 1.8687 1.8687 2.9181 2.9181 5.7349 5.7349 6.7550 6.7550 6.7935 6.7935 7.1981 7.1981 7.4455 7.4455 7.4466 7.4466 7.5162 7.5162 8.6139 8.6139 11.3146 11.3146 11.5078 11.5078 13.1780 13.1780 13.3491 13.3491 k = 0.5000 0.5000 0.0676 ( 2928 PWs) bands (ev): -15.1426 -15.1426 -8.6340 -8.6340 -8.6244 -8.6244 -8.5742 -8.5742 -8.4189 -8.4189 -6.9865 -6.9865 -6.0325 -6.0325 -6.0198 -6.0198 -5.9440 -5.9440 -1.7919 -1.7919 1.7673 1.7673 1.8735 1.8735 2.9217 2.9217 5.7351 5.7351 6.6669 6.6669 6.7099 6.7099 7.1599 7.1599 7.5042 7.5042 7.5260 7.5260 7.5288 7.5288 8.6137 8.6137 11.2570 11.2570 11.5259 11.5259 13.1929 13.1929 13.3694 13.3694 k = 0.5000 0.5000 0.0811 ( 2928 PWs) bands (ev): -15.1385 -15.1385 -8.6398 -8.6398 -8.6305 -8.6305 -8.5695 -8.5695 -8.4122 -8.4122 -7.0250 -7.0250 -6.0314 -6.0314 -6.0188 -6.0188 -5.9461 -5.9461 -1.7225 -1.7225 1.7797 1.7797 1.8794 1.8794 2.9262 2.9262 5.7353 5.7353 6.5789 6.5789 6.6263 6.6263 7.1141 7.1141 7.5034 7.5034 7.5978 7.5978 7.6035 7.6035 8.6135 8.6135 11.1878 11.1878 11.5475 11.5475 13.2111 13.2111 13.3937 13.3937 k = 0.5000 0.5000 0.0946 ( 2936 PWs) bands (ev): -15.1336 -15.1336 -8.6455 -8.6455 -8.6371 -8.6371 -8.5651 -8.5651 -8.4049 -8.4049 -7.0689 -7.0689 -6.0301 -6.0301 -6.0177 -6.0177 -5.9483 -5.9483 -1.6424 -1.6424 1.7943 1.7943 1.8864 1.8864 2.9314 2.9314 5.7356 5.7356 6.4912 6.4912 6.5432 6.5432 7.0612 7.0612 7.4970 7.4970 7.6690 7.6690 7.6788 7.6788 8.6132 8.6132 11.1076 11.1076 11.5724 11.5724 13.2326 13.2326 13.4217 13.4217 k = 0.5000 0.5000 0.1081 ( 2936 PWs) bands (ev): -15.1281 -15.1281 -8.6513 -8.6513 -8.6441 -8.6441 -8.5608 -8.5608 -8.3970 -8.3970 -7.1177 -7.1177 -6.0287 -6.0287 -6.0164 -6.0164 -5.9505 -5.9505 -1.5525 -1.5525 1.8111 1.8111 1.8946 1.8946 2.9374 2.9374 5.7359 5.7359 6.4039 6.4039 6.4606 6.4606 7.0017 7.0017 7.4890 7.4890 7.7382 7.7382 7.7516 7.7516 8.6128 8.6128 11.0171 11.0171 11.6005 11.6005 13.2573 13.2573 13.4532 13.4532 k = 0.5000 0.5000 0.1216 ( 2936 PWs) bands (ev): -15.1219 -15.1219 -8.6571 -8.6571 -8.6514 -8.6514 -8.5569 -8.5569 -8.3887 -8.3887 -7.1706 -7.1706 -6.0271 -6.0271 -6.0150 -6.0150 -5.9526 -5.9526 -1.4534 -1.4534 1.8300 1.8300 1.9041 1.9041 2.9441 2.9441 5.7363 5.7363 6.3173 6.3173 6.3788 6.3788 6.9364 6.9364 7.4794 7.4794 7.8051 7.8051 7.8218 7.8218 8.6125 8.6125 10.9172 10.9172 11.6315 11.6315 13.2853 13.2853 13.4878 13.4878 k = 0.5000 0.5000 0.1351 ( 2936 PWs) bands (ev): -15.1151 -15.1151 -8.6629 -8.6629 -8.6590 -8.6590 -8.5533 -8.5533 -8.3802 -8.3802 -7.2270 -7.2270 -6.0253 -6.0253 -6.0134 -6.0134 -5.9546 -5.9546 -1.3462 -1.3462 1.8511 1.8511 1.9149 1.9149 2.9516 2.9516 5.7367 5.7367 6.2315 6.2315 6.2979 6.2979 6.8658 6.8658 7.4680 7.4680 7.8693 7.8693 7.8890 7.8890 8.6121 8.6121 10.8088 10.8088 11.6651 11.6651 13.3164 13.3164 13.5252 13.5252 k = 0.5000 0.5000 0.1486 ( 2924 PWs) bands (ev): -15.1078 -15.1078 -8.6686 -8.6686 -8.6666 -8.6666 -8.5500 -8.5500 -8.3715 -8.3715 -7.2860 -7.2860 -6.0234 -6.0234 -6.0116 -6.0116 -5.9565 -5.9565 -1.2316 -1.2316 1.8742 1.8742 1.9271 1.9271 2.9598 2.9598 5.7371 5.7371 6.1468 6.1468 6.2182 6.2182 6.7905 6.7905 7.4546 7.4546 7.9309 7.9309 7.9532 7.9532 8.6117 8.6117 10.6928 10.6928 11.7012 11.7012 13.3506 13.3506 13.5649 13.5649 k = 0.5000 0.5000 0.1622 ( 2936 PWs) bands (ev): -15.0999 -15.0999 -8.6743 -8.6743 -8.6742 -8.6742 -8.5472 -8.5472 -8.3627 -8.3627 -7.3471 -7.3471 -6.0214 -6.0214 -6.0098 -6.0098 -5.9583 -5.9583 -1.1105 -1.1105 1.8994 1.8994 1.9408 1.9408 2.9687 2.9687 5.7375 5.7375 6.0632 6.0632 6.1398 6.1398 6.7112 6.7112 7.4390 7.4390 7.9896 7.9896 8.0142 8.0142 8.6112 8.6112 10.5702 10.5702 11.7395 11.7395 13.3878 13.3878 13.6066 13.6066 k = 0.5000 0.5000 0.1757 ( 2936 PWs) bands (ev): -15.0916 -15.0916 -8.6818 -8.6818 -8.6799 -8.6799 -8.5449 -8.5449 -8.3538 -8.3538 -7.4096 -7.4096 -6.0192 -6.0192 -6.0078 -6.0078 -5.9599 -5.9599 -0.9838 -0.9838 1.9265 1.9265 1.9561 1.9561 2.9782 2.9782 5.7380 5.7380 5.9810 5.9810 6.0629 6.0629 6.6283 6.6283 7.4208 7.4208 8.0453 8.0453 8.0719 8.0719 8.6107 8.6107 10.4420 10.4420 11.7797 11.7797 13.4278 13.4278 13.6499 13.6499 k = 0.5000 0.5000 0.1892 ( 2932 PWs) bands (ev): -15.0828 -15.0828 -8.6894 -8.6894 -8.6854 -8.6854 -8.5431 -8.5431 -8.3450 -8.3450 -7.4727 -7.4727 -6.0170 -6.0170 -6.0057 -6.0057 -5.9613 -5.9613 -0.8522 -0.8522 1.9555 1.9555 1.9731 1.9731 2.9883 2.9883 5.7385 5.7385 5.9002 5.9002 5.9876 5.9876 6.5426 6.5426 7.3998 7.3998 8.0981 8.0981 8.1263 8.1263 8.6102 8.6102 10.3094 10.3094 11.8217 11.8217 13.4706 13.4706 13.6945 13.6945 k = 0.5000 0.5000 0.2027 ( 2924 PWs) bands (ev): -15.0737 -15.0737 -8.6968 -8.6968 -8.6908 -8.6908 -8.5419 -8.5419 -8.3362 -8.3362 -7.5359 -7.5359 -6.0147 -6.0147 -6.0035 -6.0035 -5.9626 -5.9626 -0.7167 -0.7167 1.9863 1.9863 1.9922 1.9922 2.9990 2.9990 5.7390 5.7390 5.8211 5.8211 5.9142 5.9142 6.4546 6.4546 7.3753 7.3753 8.1478 8.1478 8.1772 8.1772 8.6097 8.6097 10.1736 10.1736 11.8653 11.8653 13.5159 13.5159 13.7398 13.7398 k = 0.5000 0.5000 0.2162 ( 2940 PWs) bands (ev): -15.0643 -15.0643 -8.7041 -8.7041 -8.6961 -8.6961 -8.5415 -8.5415 -8.3276 -8.3276 -7.5986 -7.5986 -6.0123 -6.0123 -6.0013 -6.0013 -5.9637 -5.9637 -0.5781 -0.5781 2.0134 2.0134 2.0189 2.0189 3.0103 3.0103 5.7395 5.7395 5.7437 5.7437 5.8427 5.8427 6.3648 6.3648 7.3470 7.3470 8.1945 8.1945 8.2246 8.2246 8.6092 8.6092 10.0358 10.0358 11.9101 11.9101 13.5634 13.5634 13.7856 13.7856 k = 0.5000 0.5000 0.2297 ( 2932 PWs) bands (ev): -15.0546 -15.0546 -8.7111 -8.7111 -8.7013 -8.7013 -8.5418 -8.5418 -8.3191 -8.3191 -7.6602 -7.6602 -6.0099 -6.0099 -5.9991 -5.9991 -5.9646 -5.9646 -0.4373 -0.4373 2.0372 2.0372 2.0531 2.0531 3.0220 3.0220 5.6682 5.6682 5.7401 5.7401 5.7734 5.7734 6.2737 6.2737 7.3141 7.3141 8.2381 8.2381 8.2687 8.2687 8.6086 8.6086 9.8973 9.8973 11.9559 11.9559 13.6129 13.6129 13.8315 13.8315 k = 0.5000 0.5000 0.2432 ( 2940 PWs) bands (ev): -15.0448 -15.0448 -8.7180 -8.7180 -8.7065 -8.7065 -8.5431 -8.5431 -8.3108 -8.3108 -7.7202 -7.7202 -6.0074 -6.0074 -5.9968 -5.9968 -5.9655 -5.9655 -0.2954 -0.2954 2.0638 2.0638 2.0889 2.0889 3.0342 3.0342 5.5947 5.5947 5.7063 5.7063 5.7406 5.7406 6.1820 6.1820 7.2761 7.2761 8.2786 8.2786 8.3094 8.3094 8.6081 8.6081 9.7596 9.7596 12.0024 12.0024 13.6642 13.6642 13.8772 13.8772 k = 0.5000 0.5000 0.2568 ( 2940 PWs) bands (ev): -15.0348 -15.0348 -8.7246 -8.7246 -8.7115 -8.7115 -8.5454 -8.5454 -8.3028 -8.3028 -7.7781 -7.7781 -6.0050 -6.0050 -5.9945 -5.9945 -5.9662 -5.9662 -0.1532 -0.1532 2.0937 2.0937 2.1260 2.1260 3.0467 3.0467 5.5233 5.5233 5.6417 5.6417 5.7411 5.7411 6.0901 6.0901 7.2321 7.2321 8.3162 8.3162 8.3467 8.3467 8.6075 8.6075 9.6240 9.6240 12.0494 12.0494 13.7168 13.7168 13.9224 13.9224 k = 0.5000 0.5000 0.2703 ( 2936 PWs) bands (ev): -15.0249 -15.0249 -8.7309 -8.7309 -8.7164 -8.7164 -8.5487 -8.5487 -8.2950 -8.2950 -7.8334 -7.8334 -6.0025 -6.0025 -5.9923 -5.9923 -5.9667 -5.9667 -0.0120 -0.0120 2.1273 2.1273 2.1644 2.1644 3.0596 3.0596 5.4542 5.4542 5.5797 5.5797 5.7417 5.7417 5.9986 5.9986 7.1815 7.1815 8.3509 8.3509 8.3809 8.3809 8.6070 8.6070 9.4922 9.4922 12.0965 12.0965 13.7705 13.7705 13.9668 13.9668 k = 0.5000 0.5000 0.2838 ( 2944 PWs) bands (ev): -15.0149 -15.0149 -8.7370 -8.7370 -8.7212 -8.7212 -8.5533 -8.5533 -8.2875 -8.2875 -7.8856 -7.8856 -6.0001 -6.0001 -5.9901 -5.9901 -5.9671 -5.9671 0.1270 0.1270 2.1654 2.1654 2.2039 2.2039 3.0727 3.0727 5.3874 5.3874 5.5203 5.5203 5.7422 5.7422 5.9079 5.9079 7.1234 7.1234 8.3827 8.3827 8.4119 8.4119 8.6065 8.6065 9.3654 9.3654 12.1434 12.1434 13.8247 13.8247 14.0102 14.0102 k = 0.5000 0.5000 0.2973 ( 2952 PWs) bands (ev): -15.0051 -15.0051 -8.7428 -8.7428 -8.7259 -8.7259 -8.5592 -8.5592 -8.2804 -8.2804 -7.9344 -7.9344 -5.9977 -5.9977 -5.9880 -5.9880 -5.9674 -5.9674 0.2627 0.2627 2.2085 2.2085 2.2442 2.2442 3.0859 3.0859 5.3230 5.3230 5.4638 5.4638 5.7427 5.7427 5.8186 5.8186 7.0573 7.0573 8.4118 8.4118 8.4400 8.4400 8.6060 8.6060 9.2453 9.2453 12.1897 12.1897 13.8792 13.8792 14.0522 14.0522 k = 0.5000 0.5000 0.3108 ( 2944 PWs) bands (ev): -14.9954 -14.9954 -8.7482 -8.7482 -8.7306 -8.7306 -8.5664 -8.5664 -8.2736 -8.2736 -7.9793 -7.9793 -5.9954 -5.9954 -5.9861 -5.9861 -5.9675 -5.9675 0.3934 0.3934 2.2573 2.2573 2.2851 2.2851 3.0992 3.0992 5.2612 5.2612 5.4102 5.4102 5.7306 5.7306 5.7437 5.7437 6.9825 6.9825 8.4383 8.4383 8.4652 8.4652 8.6055 8.6055 9.1330 9.1330 12.2352 12.2352 13.9335 13.9335 14.0927 14.0927 k = 0.5000 0.5000 0.3243 ( 2944 PWs) bands (ev): -14.9860 -14.9860 -8.7534 -8.7534 -8.7352 -8.7352 -8.5749 -8.5749 -8.2671 -8.2671 -8.0202 -8.0202 -5.9931 -5.9931 -5.9843 -5.9843 -5.9675 -5.9675 0.5179 0.5179 2.3125 2.3125 2.3263 2.3263 3.1124 3.1124 5.2021 5.2021 5.3596 5.3596 5.6460 5.6460 5.7438 5.7438 6.8990 6.8990 8.4622 8.4622 8.4878 8.4878 8.6050 8.6050 9.0295 9.0295 12.2794 12.2794 13.9870 13.9870 14.1315 14.1315 k = 0.5000 0.5000 0.3378 ( 2944 PWs) bands (ev): -14.9770 -14.9770 -8.7582 -8.7582 -8.7399 -8.7399 -8.5846 -8.5846 -8.2611 -8.2611 -8.0568 -8.0568 -5.9909 -5.9909 -5.9827 -5.9827 -5.9673 -5.9673 0.6347 0.6347 2.3676 2.3676 2.3746 2.3746 3.1255 3.1255 5.1458 5.1458 5.3123 5.3123 5.5641 5.5641 5.7443 5.7443 6.8070 6.8070 8.4837 8.4837 8.5079 8.5079 8.6045 8.6045 8.9358 8.9358 12.3220 12.3220 14.0393 14.0393 14.1684 14.1684 k = 0.5000 0.5000 0.3514 ( 2944 PWs) bands (ev): -14.9683 -14.9683 -8.7626 -8.7626 -8.7445 -8.7445 -8.5954 -8.5954 -8.2554 -8.2554 -8.0890 -8.0890 -5.9889 -5.9889 -5.9814 -5.9814 -5.9669 -5.9669 0.7426 0.7426 2.4086 2.4086 2.4440 2.4440 3.1383 3.1383 5.0924 5.0924 5.2683 5.2683 5.4858 5.4858 5.7447 5.7447 6.7070 6.7070 8.5029 8.5029 8.5257 8.5257 8.6041 8.6041 8.8520 8.8520 12.3627 12.3627 14.0898 14.0898 14.2031 14.2031 k = 0.5000 0.5000 0.3649 ( 2940 PWs) bands (ev): -14.9601 -14.9601 -8.7667 -8.7667 -8.7492 -8.7492 -8.6070 -8.6070 -8.2502 -8.2502 -8.1170 -8.1170 -5.9870 -5.9870 -5.9802 -5.9802 -5.9664 -5.9664 0.8405 0.8405 2.4488 2.4488 2.5205 2.5205 3.1507 3.1507 5.0419 5.0419 5.2277 5.2277 5.4118 5.4118 5.7451 5.7451 6.6003 6.6003 8.5200 8.5200 8.5413 8.5413 8.6037 8.6037 8.7783 8.7783 12.4011 12.4011 14.1382 14.1382 14.2356 14.2356 k = 0.5000 0.5000 0.3784 ( 2940 PWs) bands (ev): -14.9525 -14.9525 -8.7705 -8.7705 -8.7539 -8.7539 -8.6189 -8.6189 -8.2455 -8.2455 -8.1410 -8.1410 -5.9852 -5.9852 -5.9793 -5.9793 -5.9658 -5.9658 0.9277 0.9277 2.4879 2.4879 2.6036 2.6036 3.1625 3.1625 4.9946 4.9946 5.1906 5.1906 5.3427 5.3427 5.7455 5.7455 6.4885 6.4885 8.5348 8.5348 8.5549 8.5549 8.6032 8.6032 8.7144 8.7144 12.4369 12.4369 14.1838 14.1838 14.2655 14.2655 k = 0.5000 0.5000 0.3919 ( 2944 PWs) bands (ev): -14.9454 -14.9454 -8.7738 -8.7738 -8.7587 -8.7587 -8.6306 -8.6306 -8.2412 -8.2412 -8.1611 -8.1611 -5.9835 -5.9835 -5.9787 -5.9787 -5.9650 -5.9650 1.0039 1.0039 2.5253 2.5253 2.6920 2.6920 3.1737 3.1737 4.9506 4.9506 5.1571 5.1571 5.2791 5.2791 5.7459 5.7459 6.3737 6.3737 8.5477 8.5477 8.5666 8.5666 8.6026 8.6026 8.6602 8.6602 12.4698 12.4698 14.2262 14.2262 14.2929 14.2929 k = 0.5000 0.5000 0.4054 ( 2944 PWs) bands (ev): -14.9391 -14.9391 -8.7768 -8.7768 -8.7636 -8.7636 -8.6419 -8.6419 -8.2373 -8.2373 -8.1778 -8.1778 -5.9821 -5.9821 -5.9781 -5.9781 -5.9642 -5.9642 1.0692 1.0692 2.5604 2.5604 2.7837 2.7837 3.1840 3.1840 4.9101 4.9101 5.1272 5.1272 5.2217 5.2217 5.7462 5.7462 6.2585 6.2585 8.5582 8.5582 8.5766 8.5766 8.5995 8.5995 8.6175 8.6175 12.4995 12.4995 14.2650 14.2650 14.3174 14.3174 k = 0.5000 0.5000 0.4189 ( 2944 PWs) bands (ev): -14.9334 -14.9334 -8.7794 -8.7794 -8.7684 -8.7684 -8.6521 -8.6521 -8.2340 -8.2340 -8.1914 -8.1914 -5.9807 -5.9807 -5.9778 -5.9778 -5.9634 -5.9634 1.1239 1.1239 2.5926 2.5926 2.8759 2.8759 3.1933 3.1933 4.8735 4.8735 5.1012 5.1012 5.1711 5.1711 5.7465 5.7465 6.1460 6.1460 8.5626 8.5626 8.5780 8.5780 8.5850 8.5850 8.6055 8.6055 12.5258 12.5258 14.2995 14.2995 14.3390 14.3390 k = 0.5000 0.5000 0.4324 ( 2936 PWs) bands (ev): -14.9286 -14.9286 -8.7816 -8.7816 -8.7731 -8.7731 -8.6610 -8.6610 -8.2311 -8.2311 -8.2022 -8.2022 -5.9796 -5.9796 -5.9775 -5.9775 -5.9627 -5.9627 1.1688 1.1688 2.6214 2.6214 2.9653 2.9653 3.2015 3.2015 4.8411 4.8411 5.0789 5.0789 5.1276 5.1276 5.7468 5.7468 6.0398 6.0398 8.5401 8.5401 8.5777 8.5777 8.5919 8.5919 8.6048 8.6048 12.5484 12.5484 14.3296 14.3296 14.3575 14.3575 k = 0.5000 0.5000 0.4459 ( 2936 PWs) bands (ev): -14.9246 -14.9246 -8.7834 -8.7834 -8.7775 -8.7775 -8.6683 -8.6683 -8.2288 -8.2288 -8.2106 -8.2106 -5.9787 -5.9787 -5.9773 -5.9773 -5.9620 -5.9620 1.2043 1.2043 2.6460 2.6460 3.0478 3.0478 3.2084 3.2084 4.8135 4.8135 5.0606 5.0606 5.0918 5.0918 5.7470 5.7470 5.9438 5.9438 8.5164 8.5164 8.5828 8.5828 8.5974 8.5974 8.6050 8.6050 12.5672 12.5672 14.3547 14.3547 14.3729 14.3729 k = 0.5000 0.5000 0.4595 ( 2936 PWs) bands (ev): -14.9214 -14.9214 -8.7848 -8.7848 -8.7812 -8.7812 -8.6741 -8.6741 -8.2270 -8.2270 -8.2169 -8.2169 -5.9780 -5.9780 -5.9772 -5.9772 -5.9615 -5.9615 1.2311 1.2311 2.6659 2.6659 3.1189 3.1189 3.2140 3.2140 4.7913 4.7913 5.0462 5.0462 5.0637 5.0637 5.7471 5.7471 5.8624 5.8624 8.4981 8.4981 8.5868 8.5868 8.6016 8.6016 8.6055 8.6055 12.5820 12.5820 14.3746 14.3746 14.3849 14.3849 k = 0.5000 0.5000 0.4730 ( 2936 PWs) bands (ev): -14.9191 -14.9191 -8.7858 -8.7858 -8.7841 -8.7841 -8.6781 -8.6781 -8.2256 -8.2256 -8.2212 -8.2212 -5.9774 -5.9774 -5.9771 -5.9771 -5.9611 -5.9611 1.2499 1.2499 2.6806 2.6806 3.1741 3.1741 3.2180 3.2180 4.7749 4.7749 5.0359 5.0359 5.0436 5.0436 5.7472 5.7472 5.8001 5.8001 8.4852 8.4852 8.5894 8.5894 8.6045 8.6045 8.6061 8.6061 12.5926 12.5926 14.3889 14.3889 14.3936 14.3936 k = 0.5000 0.5000 0.4865 ( 2928 PWs) bands (ev): -14.9177 -14.9177 -8.7864 -8.7864 -8.7860 -8.7860 -8.6805 -8.6805 -8.2249 -8.2249 -8.2238 -8.2238 -5.9771 -5.9771 -5.9770 -5.9770 -5.9609 -5.9609 1.2610 1.2610 2.6895 2.6895 3.2092 3.2092 3.2204 3.2204 4.7648 4.7648 5.0296 5.0296 5.0315 5.0315 5.7473 5.7473 5.7608 5.7608 8.4776 8.4776 8.5908 8.5908 8.6063 8.6063 8.6067 8.6067 12.5991 12.5991 14.3977 14.3977 14.3988 14.3988 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -14.9172 -14.9172 -8.7866 -8.7866 -8.7866 -8.7866 -8.6813 -8.6813 -8.2246 -8.2246 -8.2246 -8.2246 -5.9770 -5.9770 -5.9770 -5.9770 -5.9607 -5.9607 1.2647 1.2647 2.6926 2.6926 3.2213 3.2213 3.2213 3.2213 4.7614 4.7614 5.0275 5.0275 5.0275 5.0275 5.7474 5.7474 5.7474 5.7474 8.4752 8.4752 8.5913 8.5913 8.6069 8.6069 8.6069 8.6069 12.6013 12.6013 14.4006 14.4006 14.4006 14.4006 Writing output data file BaPbO3.save init_run : 0.87s CPU 0.99s WALL ( 1 calls) electrons : 70.26s CPU 71.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 70.26s CPU 71.86s 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 : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 285 calls) cegterg : 64.38s CPU 65.61s WALL ( 285 calls) Called by sum_band: Called by *egterg: h_psi : 32.58s CPU 33.44s WALL ( 3898 calls) s_psi : 2.43s CPU 2.49s WALL ( 3898 calls) g_psi : 0.14s CPU 0.12s WALL ( 3328 calls) cdiaghg : 25.39s CPU 25.91s WALL ( 3613 calls) cegterg:over : 3.09s CPU 3.13s WALL ( 3328 calls) cegterg:upda : 2.04s CPU 2.08s WALL ( 3328 calls) cegterg:last : 1.58s CPU 1.51s WALL ( 855 calls) cdiaghg:chol : 1.29s CPU 1.44s WALL ( 3613 calls) cdiaghg:inve : 0.88s CPU 1.00s WALL ( 3613 calls) cdiaghg:para : 1.58s CPU 1.54s WALL ( 7226 calls) Called by h_psi: h_psi:vloc : 27.39s CPU 28.10s WALL ( 3898 calls) h_psi:vnl : 5.09s CPU 5.24s WALL ( 3898 calls) add_vuspsi : 2.58s CPU 2.66s WALL ( 3898 calls) General routines calbec : 2.50s CPU 2.57s WALL ( 3898 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 25.24s CPU 25.98s WALL ( 571192 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 570 calls) Parallel routines fft_scatter : 12.90s CPU 13.46s WALL ( 571215 calls) PWSCF : 1m23.05s CPU 1m33.44s WALL This run was terminated on: 14:12:54 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=