Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:11: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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 1457 635 106 Max 48 28 9 1461 654 111 Sum 1693 981 293 52515 23127 3887 bravais-lattice index = 14 lattice parameter (alat) = 8.1107 a.u. unit-cell volume = 533.5581 (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)= 8.110742 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: 52515 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 23127 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 174, 50) NL pseudopotentials 0.15 Mb ( 87, 111) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1461) G-vector shells 0.00 Mb ( 343) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 174, 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 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.3 secs Computing kpt #: 16 total cpu time spent up to now is 7.7 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.1 secs Computing kpt #: 21 total cpu time spent up to now is 9.5 secs Computing kpt #: 22 total cpu time spent up to now is 9.8 secs Computing kpt #: 23 total cpu time spent up to now is 10.2 secs Computing kpt #: 24 total cpu time spent up to now is 10.6 secs Computing kpt #: 25 total cpu time spent up to now is 10.9 secs Computing kpt #: 26 total cpu time spent up to now is 11.3 secs Computing kpt #: 27 total cpu time spent up to now is 11.7 secs Computing kpt #: 28 total cpu time spent up to now is 12.2 secs Computing kpt #: 29 total cpu time spent up to now is 12.6 secs Computing kpt #: 30 total cpu time spent up to now is 13.1 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 13.8 secs Computing kpt #: 33 total cpu time spent up to now is 14.2 secs Computing kpt #: 34 total cpu time spent up to now is 14.5 secs Computing kpt #: 35 total cpu time spent up to now is 14.9 secs Computing kpt #: 36 total cpu time spent up to now is 15.2 secs Computing kpt #: 37 total cpu time spent up to now is 15.6 secs Computing kpt #: 38 total cpu time spent up to now is 15.9 secs Computing kpt #: 39 total cpu time spent up to now is 16.3 secs Computing kpt #: 40 total cpu time spent up to now is 16.7 secs Computing kpt #: 41 total cpu time spent up to now is 17.1 secs Computing kpt #: 42 total cpu time spent up to now is 17.4 secs Computing kpt #: 43 total cpu time spent up to now is 17.8 secs Computing kpt #: 44 total cpu time spent up to now is 18.1 secs Computing kpt #: 45 total cpu time spent up to now is 18.5 secs Computing kpt #: 46 total cpu time spent up to now is 18.8 secs Computing kpt #: 47 total cpu time spent up to now is 19.2 secs Computing kpt #: 48 total cpu time spent up to now is 19.6 secs Computing kpt #: 49 total cpu time spent up to now is 19.9 secs Computing kpt #: 50 total cpu time spent up to now is 20.3 secs Computing kpt #: 51 total cpu time spent up to now is 20.7 secs Computing kpt #: 52 total cpu time spent up to now is 21.0 secs Computing kpt #: 53 total cpu time spent up to now is 21.4 secs Computing kpt #: 54 total cpu time spent up to now is 21.7 secs Computing kpt #: 55 total cpu time spent up to now is 22.0 secs Computing kpt #: 56 total cpu time spent up to now is 22.4 secs Computing kpt #: 57 total cpu time spent up to now is 22.7 secs Computing kpt #: 58 total cpu time spent up to now is 23.0 secs Computing kpt #: 59 total cpu time spent up to now is 23.4 secs Computing kpt #: 60 total cpu time spent up to now is 23.7 secs Computing kpt #: 61 total cpu time spent up to now is 24.0 secs Computing kpt #: 62 total cpu time spent up to now is 24.4 secs Computing kpt #: 63 total cpu time spent up to now is 24.7 secs Computing kpt #: 64 total cpu time spent up to now is 25.0 secs Computing kpt #: 65 total cpu time spent up to now is 25.3 secs Computing kpt #: 66 total cpu time spent up to now is 25.6 secs Computing kpt #: 67 total cpu time spent up to now is 26.0 secs Computing kpt #: 68 total cpu time spent up to now is 26.3 secs Computing kpt #: 69 total cpu time spent up to now is 26.6 secs Computing kpt #: 70 total cpu time spent up to now is 26.9 secs Computing kpt #: 71 total cpu time spent up to now is 27.3 secs Computing kpt #: 72 total cpu time spent up to now is 27.6 secs Computing kpt #: 73 total cpu time spent up to now is 27.9 secs Computing kpt #: 74 total cpu time spent up to now is 28.2 secs Computing kpt #: 75 total cpu time spent up to now is 28.6 secs Computing kpt #: 76 total cpu time spent up to now is 28.9 secs Computing kpt #: 77 total cpu time spent up to now is 29.3 secs Computing kpt #: 78 total cpu time spent up to now is 29.7 secs Computing kpt #: 79 total cpu time spent up to now is 30.0 secs Computing kpt #: 80 total cpu time spent up to now is 30.3 secs Computing kpt #: 81 total cpu time spent up to now is 30.6 secs Computing kpt #: 82 total cpu time spent up to now is 31.0 secs Computing kpt #: 83 total cpu time spent up to now is 31.3 secs Computing kpt #: 84 total cpu time spent up to now is 31.6 secs Computing kpt #: 85 total cpu time spent up to now is 31.9 secs Computing kpt #: 86 total cpu time spent up to now is 32.2 secs Computing kpt #: 87 total cpu time spent up to now is 32.6 secs Computing kpt #: 88 total cpu time spent up to now is 32.9 secs Computing kpt #: 89 total cpu time spent up to now is 33.2 secs Computing kpt #: 90 total cpu time spent up to now is 33.5 secs Computing kpt #: 91 total cpu time spent up to now is 33.9 secs Computing kpt #: 92 total cpu time spent up to now is 34.2 secs Computing kpt #: 93 total cpu time spent up to now is 34.6 secs Computing kpt #: 94 total cpu time spent up to now is 34.9 secs Computing kpt #: 95 total cpu time spent up to now is 35.2 secs Computing kpt #: 96 total cpu time spent up to now is 35.6 secs Computing kpt #: 97 total cpu time spent up to now is 35.9 secs Computing kpt #: 98 total cpu time spent up to now is 36.3 secs Computing kpt #: 99 total cpu time spent up to now is 36.7 secs Computing kpt #: 100 total cpu time spent up to now is 37.0 secs Computing kpt #: 101 total cpu time spent up to now is 37.3 secs Computing kpt #: 102 total cpu time spent up to now is 37.7 secs Computing kpt #: 103 total cpu time spent up to now is 38.0 secs Computing kpt #: 104 total cpu time spent up to now is 38.4 secs Computing kpt #: 105 total cpu time spent up to now is 38.7 secs Computing kpt #: 106 total cpu time spent up to now is 39.1 secs Computing kpt #: 107 total cpu time spent up to now is 39.4 secs Computing kpt #: 108 total cpu time spent up to now is 39.7 secs Computing kpt #: 109 total cpu time spent up to now is 40.1 secs Computing kpt #: 110 total cpu time spent up to now is 40.4 secs Computing kpt #: 111 total cpu time spent up to now is 40.8 secs Computing kpt #: 112 total cpu time spent up to now is 41.1 secs Computing kpt #: 113 total cpu time spent up to now is 41.5 secs Computing kpt #: 114 total cpu time spent up to now is 41.8 secs Computing kpt #: 115 total cpu time spent up to now is 42.1 secs Computing kpt #: 116 total cpu time spent up to now is 42.5 secs Computing kpt #: 117 total cpu time spent up to now is 42.8 secs Computing kpt #: 118 total cpu time spent up to now is 43.1 secs Computing kpt #: 119 total cpu time spent up to now is 43.5 secs Computing kpt #: 120 total cpu time spent up to now is 43.8 secs Computing kpt #: 121 total cpu time spent up to now is 44.1 secs Computing kpt #: 122 total cpu time spent up to now is 44.5 secs Computing kpt #: 123 total cpu time spent up to now is 44.8 secs Computing kpt #: 124 total cpu time spent up to now is 45.1 secs Computing kpt #: 125 total cpu time spent up to now is 45.4 secs Computing kpt #: 126 total cpu time spent up to now is 45.8 secs Computing kpt #: 127 total cpu time spent up to now is 46.1 secs Computing kpt #: 128 total cpu time spent up to now is 46.4 secs Computing kpt #: 129 total cpu time spent up to now is 46.7 secs Computing kpt #: 130 total cpu time spent up to now is 47.0 secs Computing kpt #: 131 total cpu time spent up to now is 47.3 secs Computing kpt #: 132 total cpu time spent up to now is 47.6 secs Computing kpt #: 133 total cpu time spent up to now is 48.0 secs Computing kpt #: 134 total cpu time spent up to now is 48.3 secs Computing kpt #: 135 total cpu time spent up to now is 48.6 secs Computing kpt #: 136 total cpu time spent up to now is 48.9 secs Computing kpt #: 137 total cpu time spent up to now is 49.2 secs Computing kpt #: 138 total cpu time spent up to now is 49.6 secs Computing kpt #: 139 total cpu time spent up to now is 49.9 secs Computing kpt #: 140 total cpu time spent up to now is 50.3 secs Computing kpt #: 141 total cpu time spent up to now is 50.6 secs Computing kpt #: 142 total cpu time spent up to now is 50.9 secs Computing kpt #: 143 total cpu time spent up to now is 51.3 secs Computing kpt #: 144 total cpu time spent up to now is 51.6 secs Computing kpt #: 145 total cpu time spent up to now is 52.0 secs Computing kpt #: 146 total cpu time spent up to now is 52.3 secs Computing kpt #: 147 total cpu time spent up to now is 52.7 secs Computing kpt #: 148 total cpu time spent up to now is 53.0 secs Computing kpt #: 149 total cpu time spent up to now is 53.4 secs Computing kpt #: 150 total cpu time spent up to now is 53.7 secs Computing kpt #: 151 total cpu time spent up to now is 54.1 secs Computing kpt #: 152 total cpu time spent up to now is 54.4 secs Computing kpt #: 153 total cpu time spent up to now is 54.7 secs Computing kpt #: 154 total cpu time spent up to now is 55.1 secs Computing kpt #: 155 total cpu time spent up to now is 55.4 secs Computing kpt #: 156 total cpu time spent up to now is 55.8 secs Computing kpt #: 157 total cpu time spent up to now is 56.1 secs Computing kpt #: 158 total cpu time spent up to now is 56.4 secs Computing kpt #: 159 total cpu time spent up to now is 56.8 secs Computing kpt #: 160 total cpu time spent up to now is 57.1 secs Computing kpt #: 161 total cpu time spent up to now is 57.5 secs Computing kpt #: 162 total cpu time spent up to now is 57.8 secs Computing kpt #: 163 total cpu time spent up to now is 58.1 secs Computing kpt #: 164 total cpu time spent up to now is 58.5 secs Computing kpt #: 165 total cpu time spent up to now is 58.8 secs Computing kpt #: 166 total cpu time spent up to now is 59.2 secs Computing kpt #: 167 total cpu time spent up to now is 59.5 secs Computing kpt #: 168 total cpu time spent up to now is 59.8 secs Computing kpt #: 169 total cpu time spent up to now is 60.1 secs Computing kpt #: 170 total cpu time spent up to now is 60.5 secs Computing kpt #: 171 total cpu time spent up to now is 60.8 secs Computing kpt #: 172 total cpu time spent up to now is 61.1 secs Computing kpt #: 173 total cpu time spent up to now is 61.4 secs Computing kpt #: 174 total cpu time spent up to now is 61.7 secs Computing kpt #: 175 total cpu time spent up to now is 62.1 secs Computing kpt #: 176 total cpu time spent up to now is 62.4 secs Computing kpt #: 177 total cpu time spent up to now is 62.7 secs Computing kpt #: 178 total cpu time spent up to now is 63.0 secs Computing kpt #: 179 total cpu time spent up to now is 63.3 secs Computing kpt #: 180 total cpu time spent up to now is 63.7 secs Computing kpt #: 181 total cpu time spent up to now is 64.0 secs Computing kpt #: 182 total cpu time spent up to now is 64.3 secs Computing kpt #: 183 total cpu time spent up to now is 64.6 secs Computing kpt #: 184 total cpu time spent up to now is 64.9 secs Computing kpt #: 185 total cpu time spent up to now is 65.1 secs Computing kpt #: 186 total cpu time spent up to now is 65.4 secs Computing kpt #: 187 total cpu time spent up to now is 65.7 secs Computing kpt #: 188 total cpu time spent up to now is 66.0 secs Computing kpt #: 189 total cpu time spent up to now is 66.3 secs Computing kpt #: 190 total cpu time spent up to now is 66.5 secs Computing kpt #: 191 total cpu time spent up to now is 66.8 secs Computing kpt #: 192 total cpu time spent up to now is 67.1 secs Computing kpt #: 193 total cpu time spent up to now is 67.3 secs Computing kpt #: 194 total cpu time spent up to now is 67.6 secs Computing kpt #: 195 total cpu time spent up to now is 67.8 secs Computing kpt #: 196 total cpu time spent up to now is 68.1 secs Computing kpt #: 197 total cpu time spent up to now is 68.4 secs Computing kpt #: 198 total cpu time spent up to now is 68.6 secs Computing kpt #: 199 total cpu time spent up to now is 68.9 secs Computing kpt #: 200 total cpu time spent up to now is 69.2 secs Computing kpt #: 201 total cpu time spent up to now is 69.4 secs Computing kpt #: 202 total cpu time spent up to now is 69.7 secs Computing kpt #: 203 total cpu time spent up to now is 70.0 secs Computing kpt #: 204 total cpu time spent up to now is 70.3 secs Computing kpt #: 205 total cpu time spent up to now is 70.6 secs Computing kpt #: 206 total cpu time spent up to now is 70.9 secs Computing kpt #: 207 total cpu time spent up to now is 71.2 secs Computing kpt #: 208 total cpu time spent up to now is 71.4 secs Computing kpt #: 209 total cpu time spent up to now is 71.8 secs Computing kpt #: 210 total cpu time spent up to now is 72.1 secs Computing kpt #: 211 total cpu time spent up to now is 72.4 secs Computing kpt #: 212 total cpu time spent up to now is 72.7 secs Computing kpt #: 213 total cpu time spent up to now is 73.0 secs Computing kpt #: 214 total cpu time spent up to now is 73.3 secs Computing kpt #: 215 total cpu time spent up to now is 73.7 secs Computing kpt #: 216 total cpu time spent up to now is 74.0 secs Computing kpt #: 217 total cpu time spent up to now is 74.3 secs Computing kpt #: 218 total cpu time spent up to now is 74.6 secs Computing kpt #: 219 total cpu time spent up to now is 75.0 secs Computing kpt #: 220 total cpu time spent up to now is 75.3 secs Computing kpt #: 221 total cpu time spent up to now is 75.7 secs Computing kpt #: 222 total cpu time spent up to now is 76.1 secs Computing kpt #: 223 total cpu time spent up to now is 76.4 secs Computing kpt #: 224 total cpu time spent up to now is 76.7 secs Computing kpt #: 225 total cpu time spent up to now is 77.0 secs Computing kpt #: 226 total cpu time spent up to now is 77.4 secs Computing kpt #: 227 total cpu time spent up to now is 77.7 secs Computing kpt #: 228 total cpu time spent up to now is 78.0 secs Computing kpt #: 229 total cpu time spent up to now is 78.3 secs Computing kpt #: 230 total cpu time spent up to now is 78.7 secs Computing kpt #: 231 total cpu time spent up to now is 79.0 secs Computing kpt #: 232 total cpu time spent up to now is 79.3 secs Computing kpt #: 233 total cpu time spent up to now is 79.6 secs Computing kpt #: 234 total cpu time spent up to now is 80.0 secs Computing kpt #: 235 total cpu time spent up to now is 80.3 secs Computing kpt #: 236 total cpu time spent up to now is 80.7 secs Computing kpt #: 237 total cpu time spent up to now is 81.1 secs Computing kpt #: 238 total cpu time spent up to now is 81.4 secs Computing kpt #: 239 total cpu time spent up to now is 81.8 secs Computing kpt #: 240 total cpu time spent up to now is 82.2 secs Computing kpt #: 241 total cpu time spent up to now is 82.6 secs Computing kpt #: 242 total cpu time spent up to now is 83.0 secs Computing kpt #: 243 total cpu time spent up to now is 83.3 secs Computing kpt #: 244 total cpu time spent up to now is 83.7 secs Computing kpt #: 245 total cpu time spent up to now is 84.1 secs Computing kpt #: 246 total cpu time spent up to now is 84.4 secs Computing kpt #: 247 total cpu time spent up to now is 84.8 secs Computing kpt #: 248 total cpu time spent up to now is 85.1 secs Computing kpt #: 249 total cpu time spent up to now is 85.5 secs Computing kpt #: 250 total cpu time spent up to now is 85.8 secs Computing kpt #: 251 total cpu time spent up to now is 86.2 secs Computing kpt #: 252 total cpu time spent up to now is 86.6 secs Computing kpt #: 253 total cpu time spent up to now is 87.0 secs Computing kpt #: 254 total cpu time spent up to now is 87.3 secs Computing kpt #: 255 total cpu time spent up to now is 87.7 secs Computing kpt #: 256 total cpu time spent up to now is 88.1 secs Computing kpt #: 257 total cpu time spent up to now is 88.4 secs Computing kpt #: 258 total cpu time spent up to now is 88.7 secs Computing kpt #: 259 total cpu time spent up to now is 89.1 secs Computing kpt #: 260 total cpu time spent up to now is 89.4 secs Computing kpt #: 261 total cpu time spent up to now is 89.7 secs Computing kpt #: 262 total cpu time spent up to now is 90.0 secs Computing kpt #: 263 total cpu time spent up to now is 90.4 secs Computing kpt #: 264 total cpu time spent up to now is 90.7 secs Computing kpt #: 265 total cpu time spent up to now is 91.0 secs Computing kpt #: 266 total cpu time spent up to now is 91.3 secs Computing kpt #: 267 total cpu time spent up to now is 91.6 secs Computing kpt #: 268 total cpu time spent up to now is 91.9 secs Computing kpt #: 269 total cpu time spent up to now is 92.2 secs Computing kpt #: 270 total cpu time spent up to now is 92.5 secs Computing kpt #: 271 total cpu time spent up to now is 92.8 secs Computing kpt #: 272 total cpu time spent up to now is 93.0 secs Computing kpt #: 273 total cpu time spent up to now is 93.3 secs Computing kpt #: 274 total cpu time spent up to now is 93.6 secs Computing kpt #: 275 total cpu time spent up to now is 93.9 secs Computing kpt #: 276 total cpu time spent up to now is 94.2 secs Computing kpt #: 277 total cpu time spent up to now is 94.4 secs Computing kpt #: 278 total cpu time spent up to now is 94.7 secs Computing kpt #: 279 total cpu time spent up to now is 95.0 secs Computing kpt #: 280 total cpu time spent up to now is 95.3 secs Computing kpt #: 281 total cpu time spent up to now is 95.5 secs Computing kpt #: 282 total cpu time spent up to now is 95.8 secs Computing kpt #: 283 total cpu time spent up to now is 96.1 secs Computing kpt #: 284 total cpu time spent up to now is 96.3 secs Computing kpt #: 285 total cpu time spent up to now is 96.6 secs ethr = 2.38E-08, avg # of iterations = 17.6 total cpu time spent up to now is 96.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -16.0962 -16.0962 -8.6231 -8.6231 -8.6231 -8.6231 -8.1591 -8.1591 -6.3243 -6.3243 -6.3243 -6.3243 -4.7026 -4.7026 -3.0607 -3.0607 -3.0607 -3.0607 -2.6587 -2.6587 -0.6638 -0.6638 -0.6638 -0.6638 4.5263 4.5263 5.3722 5.3722 5.3722 5.3722 7.5610 7.5610 8.3304 8.3304 8.3304 8.3304 8.3459 8.3459 8.5902 8.5902 8.7211 8.7211 8.7211 8.7211 13.9937 13.9937 13.9937 13.9937 15.7587 15.7587 k = 0.0000 0.0135-0.0000 ( 2945 PWs) bands (ev): -16.0962 -16.0962 -8.6231 -8.6231 -8.6224 -8.6224 -8.1588 -8.1588 -6.3246 -6.3246 -6.3243 -6.3243 -4.7027 -4.7027 -3.0639 -3.0639 -3.0607 -3.0607 -2.6583 -2.6583 -0.6635 -0.6635 -0.6633 -0.6633 4.5259 4.5259 5.3688 5.3688 5.3721 5.3721 7.5633 7.5633 8.3295 8.3295 8.3300 8.3300 8.3452 8.3452 8.5917 8.5917 8.7207 8.7207 8.7242 8.7242 13.9964 13.9964 13.9965 13.9965 15.7621 15.7621 k = 0.0000 0.0270-0.0000 ( 2937 PWs) bands (ev): -16.0959 -16.0959 -8.6231 -8.6231 -8.6203 -8.6203 -8.1577 -8.1577 -6.3255 -6.3255 -6.3243 -6.3243 -4.7029 -4.7029 -3.0736 -3.0736 -3.0607 -3.0607 -2.6569 -2.6569 -0.6627 -0.6627 -0.6619 -0.6619 4.5248 4.5248 5.3587 5.3587 5.3719 5.3719 7.5698 7.5698 8.3266 8.3266 8.3288 8.3288 8.3434 8.3434 8.5956 8.5956 8.7195 8.7195 8.7340 8.7340 14.0044 14.0044 14.0049 14.0049 15.7721 15.7721 k = 0.0000 0.0405-0.0000 ( 2929 PWs) bands (ev): -16.0956 -16.0956 -8.6230 -8.6230 -8.6167 -8.6167 -8.1558 -8.1558 -6.3269 -6.3269 -6.3244 -6.3244 -4.7033 -4.7033 -3.0896 -3.0896 -3.0606 -3.0606 -2.6547 -2.6547 -0.6613 -0.6613 -0.6595 -0.6595 4.5229 4.5229 5.3426 5.3426 5.3716 5.3716 7.5796 7.5796 8.3216 8.3216 8.3267 8.3267 8.3407 8.3407 8.6004 8.6004 8.7174 8.7174 8.7525 8.7525 14.0178 14.0178 14.0188 14.0188 15.7888 15.7888 k = 0.0000 0.0541-0.0000 ( 2929 PWs) bands (ev): -16.0951 -16.0951 -8.6229 -8.6229 -8.6119 -8.6119 -8.1531 -8.1531 -6.3289 -6.3289 -6.3245 -6.3245 -4.7038 -4.7038 -3.1117 -3.1117 -3.0606 -3.0606 -2.6518 -2.6518 -0.6593 -0.6593 -0.6563 -0.6563 4.5201 4.5201 5.3210 5.3210 5.3711 5.3711 7.5914 7.5914 8.3142 8.3142 8.3239 8.3239 8.3374 8.3374 8.6047 8.6047 8.7146 8.7146 8.7817 8.7817 14.0363 14.0363 14.0382 14.0382 15.8121 15.8121 k = 0.0000 0.0676-0.0000 ( 2929 PWs) bands (ev): -16.0944 -16.0944 -8.6228 -8.6228 -8.6058 -8.6058 -8.1495 -8.1495 -6.3315 -6.3315 -6.3246 -6.3246 -4.7044 -4.7044 -3.1395 -3.1395 -3.0606 -3.0606 -2.6484 -2.6484 -0.6569 -0.6569 -0.6522 -0.6522 4.5166 4.5166 5.2949 5.2949 5.3704 5.3704 7.6036 7.6036 8.3044 8.3044 8.3203 8.3203 8.3335 8.3335 8.6072 8.6072 8.7110 8.7110 8.8235 8.8235 14.0598 14.0598 14.0630 14.0630 15.8420 15.8420 k = 0.0000 0.0811-0.0000 ( 2921 PWs) bands (ev): -16.0936 -16.0936 -8.6227 -8.6227 -8.5987 -8.5987 -8.1447 -8.1447 -6.3347 -6.3347 -6.3247 -6.3247 -4.7052 -4.7052 -3.1727 -3.1727 -3.0605 -3.0605 -2.6446 -2.6446 -0.6539 -0.6539 -0.6474 -0.6474 4.5122 4.5122 5.2653 5.2653 5.3696 5.3696 7.6148 7.6148 8.2923 8.2923 8.3160 8.3160 8.3292 8.3292 8.6076 8.6076 8.7067 8.7067 8.8788 8.8788 14.0883 14.0883 14.0930 14.0930 15.8783 15.8783 k = 0.0000 0.0946-0.0000 ( 2913 PWs) bands (ev): -16.0927 -16.0927 -8.6225 -8.6225 -8.5907 -8.5907 -8.1387 -8.1387 -6.3385 -6.3385 -6.3248 -6.3248 -4.7060 -4.7060 -3.2111 -3.2111 -3.0604 -3.0604 -2.6404 -2.6404 -0.6504 -0.6504 -0.6420 -0.6420 4.5068 4.5068 5.2332 5.2332 5.3686 5.3686 7.6237 7.6237 8.2782 8.2782 8.3111 8.3111 8.3245 8.3245 8.6061 8.6061 8.7017 8.7017 8.9476 8.9476 14.1214 14.1214 14.1280 14.1280 15.9209 15.9209 k = 0.0000 0.1081-0.0000 ( 2917 PWs) bands (ev): -16.0917 -16.0917 -8.6224 -8.6224 -8.5821 -8.5821 -8.1312 -8.1312 -6.3429 -6.3429 -6.3250 -6.3250 -4.7071 -4.7071 -3.2542 -3.2542 -3.0604 -3.0604 -2.6360 -2.6360 -0.6465 -0.6465 -0.6360 -0.6360 4.5005 4.5005 5.1996 5.1996 5.3675 5.3675 7.6292 7.6292 8.2622 8.2622 8.3055 8.3055 8.3194 8.3194 8.6031 8.6031 8.6961 8.6961 9.0295 9.0295 14.1590 14.1590 14.1680 14.1680 15.9697 15.9697 k = 0.0000 0.1216-0.0000 ( 2909 PWs) bands (ev): -16.0906 -16.0906 -8.6222 -8.6222 -8.5729 -8.5729 -8.1220 -8.1220 -6.3480 -6.3480 -6.3252 -6.3252 -4.7082 -4.7082 -3.3016 -3.3016 -3.0603 -3.0603 -2.6315 -2.6315 -0.6421 -0.6421 -0.6295 -0.6295 4.4932 4.4932 5.1653 5.1653 5.3662 5.3662 7.6310 7.6310 8.2445 8.2445 8.2994 8.2994 8.3138 8.3138 8.5988 8.5988 8.6900 8.6900 9.1238 9.1238 14.2007 14.2007 14.2126 14.2126 16.0245 16.0245 k = 0.0000 0.1351-0.0000 ( 2901 PWs) bands (ev): -16.0893 -16.0893 -8.6219 -8.6219 -8.5636 -8.5636 -8.1109 -8.1109 -6.3537 -6.3537 -6.3254 -6.3254 -4.7094 -4.7094 -3.3531 -3.3531 -3.0602 -3.0602 -2.6268 -2.6268 -0.6373 -0.6373 -0.6225 -0.6225 4.4849 4.4849 5.1312 5.1312 5.3646 5.3646 7.6287 7.6287 8.2253 8.2253 8.2929 8.2929 8.3079 8.3079 8.5934 8.5934 8.6833 8.6833 9.2297 9.2297 14.2464 14.2464 14.2616 14.2616 16.0852 16.0852 k = 0.0000 0.1486-0.0000 ( 2901 PWs) bands (ev): -16.0880 -16.0880 -8.6217 -8.6217 -8.5543 -8.5543 -8.0976 -8.0976 -6.3601 -6.3601 -6.3256 -6.3256 -4.7107 -4.7107 -3.4083 -3.4083 -3.0601 -3.0601 -2.6220 -2.6220 -0.6321 -0.6321 -0.6153 -0.6153 4.4756 4.4756 5.0977 5.0977 5.3629 5.3629 7.6226 7.6226 8.2048 8.2048 8.2859 8.2859 8.3017 8.3017 8.5873 8.5873 8.6761 8.6761 9.3460 9.3460 14.2956 14.2956 14.3147 14.3147 16.1515 16.1515 k = 0.0000 0.1622-0.0000 ( 2894 PWs) bands (ev): -16.0865 -16.0865 -8.6215 -8.6215 -8.5453 -8.5453 -8.0819 -8.0819 -6.3671 -6.3671 -6.3258 -6.3258 -4.7121 -4.7121 -3.4667 -3.4667 -3.0600 -3.0600 -2.6172 -2.6172 -0.6265 -0.6265 -0.6079 -0.6079 4.4652 4.4652 5.0656 5.0656 5.3609 5.3609 7.6129 7.6129 8.1832 8.1832 8.2787 8.2787 8.2953 8.2953 8.5804 8.5804 8.6685 8.6685 9.4717 9.4717 14.3481 14.3481 14.3717 14.3717 16.2232 16.2232 k = 0.0000 0.1757-0.0000 ( 2902 PWs) bands (ev): -16.0850 -16.0850 -8.6212 -8.6212 -8.5369 -8.5369 -8.0636 -8.0636 -6.3750 -6.3750 -6.3260 -6.3260 -4.7136 -4.7136 -3.5281 -3.5281 -3.0599 -3.0599 -2.6123 -2.6123 -0.6207 -0.6207 -0.6003 -0.6003 4.4539 4.4539 5.0351 5.0351 5.3588 5.3588 7.5999 7.5999 8.1607 8.1607 8.2713 8.2713 8.2888 8.2888 8.5730 8.5730 8.6606 8.6606 9.6055 9.6055 14.4035 14.4035 14.4322 14.4322 16.3001 16.3001 k = 0.0000 0.1892-0.0000 ( 2902 PWs) bands (ev): -16.0835 -16.0835 -8.6209 -8.6209 -8.5292 -8.5292 -8.0424 -8.0424 -6.3836 -6.3836 -6.3263 -6.3263 -4.7151 -4.7151 -3.5920 -3.5920 -3.0598 -3.0598 -2.6074 -2.6074 -0.6146 -0.6146 -0.5926 -0.5926 4.4416 4.4416 5.0065 5.0065 5.3564 5.3564 7.5842 7.5842 8.1374 8.1374 8.2637 8.2637 8.2823 8.2823 8.5651 8.5651 8.6523 8.6523 9.7465 9.7465 14.4614 14.4614 14.4958 14.4958 16.3208 16.3208 k = 0.0000 0.2027-0.0000 ( 2898 PWs) bands (ev): -16.0818 -16.0818 -8.6206 -8.6206 -8.5223 -8.5223 -8.0184 -8.0184 -6.3930 -6.3930 -6.3265 -6.3265 -4.7167 -4.7167 -3.6581 -3.6581 -3.0597 -3.0597 -2.6025 -2.6025 -0.6082 -0.6082 -0.5850 -0.5850 4.4286 4.4286 4.9800 4.9800 5.3538 5.3538 7.5661 7.5661 8.1137 8.1137 8.2562 8.2562 8.2758 8.2758 8.5568 8.5568 8.6438 8.6438 9.8935 9.8935 14.5215 14.5215 14.5622 14.5622 16.3304 16.3304 k = 0.0000 0.2162-0.0000 ( 2898 PWs) bands (ev): -16.0801 -16.0801 -8.6203 -8.6203 -8.5165 -8.5165 -7.9913 -7.9913 -6.4033 -6.4033 -6.3268 -6.3268 -4.7183 -4.7183 -3.7258 -3.7258 -3.0595 -3.0595 -2.5975 -2.5975 -0.6017 -0.6017 -0.5773 -0.5773 4.4148 4.4148 4.9557 4.9557 5.3509 5.3509 7.5462 7.5462 8.0897 8.0897 8.2487 8.2487 8.2694 8.2694 8.5481 8.5481 8.6351 8.6351 10.0456 10.0456 14.5834 14.5834 14.6308 14.6308 16.3402 16.3402 k = 0.0000 0.2297-0.0000 ( 2906 PWs) bands (ev): -16.0784 -16.0784 -8.6201 -8.6201 -8.5116 -8.5116 -7.9612 -7.9612 -6.4145 -6.4145 -6.3271 -6.3271 -4.7200 -4.7200 -3.7949 -3.7949 -3.0594 -3.0594 -2.5927 -2.5927 -0.5951 -0.5951 -0.5698 -0.5698 4.4006 4.4006 4.9336 4.9336 5.3479 5.3479 7.5247 7.5247 8.0655 8.0655 8.2414 8.2414 8.2633 8.2633 8.5392 8.5392 8.6262 8.6262 10.2017 10.2017 14.6465 14.6465 14.7013 14.7013 16.3500 16.3500 k = 0.0000 0.2432-0.0000 ( 2902 PWs) bands (ev): -16.0767 -16.0767 -8.6198 -8.6198 -8.5077 -8.5077 -7.9282 -7.9282 -6.4268 -6.4268 -6.3273 -6.3273 -4.7216 -4.7216 -3.8648 -3.8648 -3.0593 -3.0593 -2.5878 -2.5878 -0.5883 -0.5883 -0.5625 -0.5625 4.3860 4.3860 4.9136 4.9136 5.3447 5.3447 7.5022 7.5022 8.0413 8.0413 8.2343 8.2343 8.2574 8.2574 8.5301 8.5301 8.6171 8.6171 10.3610 10.3610 14.7107 14.7107 14.7731 14.7731 16.3599 16.3599 k = 0.0000 0.2568-0.0000 ( 2902 PWs) bands (ev): -16.0749 -16.0749 -8.6195 -8.6195 -8.5047 -8.5047 -7.8924 -7.8924 -6.4401 -6.4401 -6.3276 -6.3276 -4.7233 -4.7233 -3.9352 -3.9352 -3.0592 -3.0592 -2.5831 -2.5831 -0.5815 -0.5815 -0.5553 -0.5553 4.3713 4.3713 4.8956 4.8956 5.3414 5.3414 7.4789 7.4789 8.0174 8.0174 8.2275 8.2275 8.2519 8.2519 8.5208 8.5208 8.6079 8.6079 10.5225 10.5225 14.7753 14.7753 14.8457 14.8457 16.3698 16.3698 k = 0.0000 0.2703-0.0000 ( 2898 PWs) bands (ev): -16.0732 -16.0732 -8.6192 -8.6192 -8.5026 -8.5026 -7.8539 -7.8539 -6.4546 -6.4546 -6.3279 -6.3279 -4.7249 -4.7249 -4.0055 -4.0055 -3.0590 -3.0590 -2.5784 -2.5784 -0.5747 -0.5747 -0.5484 -0.5484 4.3567 4.3567 4.8794 4.8794 5.3378 5.3378 7.4552 7.4552 7.9939 7.9939 8.2211 8.2211 8.2468 8.2468 8.5114 8.5114 8.5987 8.5987 10.6852 10.6852 14.8401 14.8401 14.9184 14.9184 16.3797 16.3797 k = 0.0000 0.2838-0.0000 ( 2898 PWs) bands (ev): -16.0715 -16.0715 -8.6189 -8.6189 -8.5013 -8.5013 -7.8128 -7.8128 -6.4705 -6.4705 -6.3281 -6.3281 -4.7266 -4.7266 -4.0755 -4.0755 -3.0589 -3.0589 -2.5738 -2.5738 -0.5680 -0.5680 -0.5417 -0.5417 4.3423 4.3423 4.8649 4.8649 5.3342 5.3342 7.4314 7.4314 7.9709 7.9709 8.2152 8.2152 8.2421 8.2421 8.5020 8.5020 8.5895 8.5895 10.8485 10.8485 14.9044 14.9044 14.9908 14.9908 16.3895 16.3895 k = 0.0000 0.2973-0.0000 ( 2898 PWs) bands (ev): -16.0698 -16.0698 -8.6186 -8.6186 -8.5007 -8.5007 -7.7693 -7.7693 -6.4877 -6.4877 -6.3284 -6.3284 -4.7282 -4.7282 -4.1445 -4.1445 -3.0588 -3.0588 -2.5694 -2.5694 -0.5614 -0.5614 -0.5353 -0.5353 4.3282 4.3282 4.8520 4.8520 5.3305 5.3305 7.4077 7.4077 7.9485 7.9485 8.2098 8.2098 8.2379 8.2379 8.4926 8.4926 8.5804 8.5804 11.0112 11.0112 14.9680 14.9680 15.0620 15.0620 16.3991 16.3991 k = 0.0000 0.3108-0.0000 ( 2878 PWs) bands (ev): -16.0681 -16.0681 -8.6183 -8.6183 -8.5006 -8.5006 -7.7236 -7.7236 -6.5064 -6.5064 -6.3286 -6.3286 -4.7297 -4.7297 -4.2121 -4.2121 -3.0586 -3.0586 -2.5651 -2.5651 -0.5549 -0.5549 -0.5293 -0.5293 4.3147 4.3147 4.8404 4.8404 5.3267 5.3267 7.3845 7.3845 7.9271 7.9271 8.2049 8.2049 8.2343 8.2343 8.4832 8.4832 8.5713 8.5713 11.1725 11.1725 15.0303 15.0303 15.1315 15.1315 16.4086 16.4086 k = 0.0000 0.3243-0.0000 ( 2866 PWs) bands (ev): -16.0666 -16.0666 -8.6180 -8.6180 -8.5010 -8.5010 -7.6760 -7.6760 -6.5269 -6.5269 -6.3289 -6.3289 -4.7312 -4.7312 -4.2778 -4.2778 -3.0585 -3.0585 -2.5610 -2.5610 -0.5487 -0.5487 -0.5235 -0.5235 4.3019 4.3019 4.8301 4.8301 5.3230 5.3230 7.3619 7.3619 7.9065 7.9065 8.2005 8.2005 8.2312 8.2312 8.4739 8.4739 8.5624 8.5624 11.3313 11.3313 15.0909 15.0909 15.1985 15.1985 16.4177 16.4177 k = 0.0000 0.3378-0.0000 ( 2862 PWs) bands (ev): -16.0650 -16.0650 -8.6177 -8.6177 -8.5017 -8.5017 -7.6267 -7.6267 -6.5491 -6.5491 -6.3291 -6.3291 -4.7327 -4.7327 -4.3412 -4.3412 -3.0584 -3.0584 -2.5571 -2.5571 -0.5426 -0.5426 -0.5182 -0.5182 4.2898 4.2898 4.8210 4.8210 5.3192 5.3192 7.3401 7.3401 7.8870 7.8870 8.1968 8.1968 8.2286 8.2286 8.4648 8.4648 8.5537 8.5537 11.4866 11.4866 15.1493 15.1493 15.2623 15.2623 16.4266 16.4266 k = 0.0000 0.3514-0.0000 ( 2886 PWs) bands (ev): -16.0636 -16.0636 -8.6175 -8.6175 -8.5027 -8.5027 -7.5758 -7.5758 -6.5732 -6.5732 -6.3294 -6.3294 -4.7340 -4.7340 -4.4018 -4.4018 -3.0583 -3.0583 -2.5535 -2.5535 -0.5369 -0.5369 -0.5132 -0.5132 4.2786 4.2786 4.8128 4.8128 5.3156 5.3156 7.3195 7.3195 7.8687 7.8687 8.1935 8.1935 8.2265 8.2265 8.4559 8.4559 8.5452 8.5452 11.6371 11.6371 15.2051 15.2051 15.3224 15.3224 16.4350 16.4350 k = 0.0000 0.3649-0.0000 ( 2894 PWs) bands (ev): -16.0622 -16.0622 -8.6173 -8.6173 -8.5039 -8.5039 -7.5237 -7.5237 -6.5994 -6.5994 -6.3296 -6.3296 -4.7353 -4.7353 -4.4591 -4.4591 -3.0582 -3.0582 -2.5500 -2.5500 -0.5315 -0.5315 -0.5086 -0.5086 4.2682 4.2682 4.8056 4.8056 5.3120 5.3120 7.3000 7.3000 7.8516 7.8516 8.1909 8.1909 8.2250 8.2250 8.4474 8.4474 8.5371 8.5371 11.7818 11.7818 15.2578 15.2578 15.3779 15.3779 16.4430 16.4430 k = 0.0000 0.3784-0.0000 ( 2894 PWs) bands (ev): -16.0609 -16.0609 -8.6171 -8.6171 -8.5052 -8.5052 -7.4705 -7.4705 -6.6277 -6.6277 -6.3298 -6.3298 -4.7365 -4.7365 -4.5126 -4.5126 -3.0581 -3.0581 -2.5469 -2.5469 -0.5265 -0.5265 -0.5044 -0.5044 4.2588 4.2588 4.7992 4.7992 5.3086 5.3086 7.2819 7.2819 7.8359 7.8359 8.1887 8.1887 8.2238 8.2238 8.4393 8.4393 8.5294 8.5294 11.9194 11.9194 15.3070 15.3070 15.4285 15.4285 16.4504 16.4504 k = 0.0000 0.3919-0.0000 ( 2894 PWs) bands (ev): -16.0598 -16.0598 -8.6169 -8.6169 -8.5065 -8.5065 -7.4165 -7.4165 -6.6584 -6.6584 -6.3300 -6.3300 -4.7376 -4.7376 -4.5619 -4.5619 -3.0580 -3.0580 -2.5440 -2.5440 -0.5219 -0.5219 -0.5006 -0.5006 4.2503 4.2503 4.7937 4.7937 5.3055 5.3055 7.2654 7.2654 7.8216 7.8216 8.1871 8.1871 8.2231 8.2231 8.4317 8.4317 8.5222 8.5222 12.0483 12.0483 15.3524 15.3524 15.4736 15.4736 16.4573 16.4573 k = 0.0000 0.4054-0.0000 ( 2894 PWs) bands (ev): -16.0587 -16.0587 -8.6167 -8.6167 -8.5078 -8.5078 -7.3619 -7.3619 -6.6914 -6.6914 -6.3301 -6.3301 -4.7385 -4.7385 -4.6065 -4.6065 -3.0579 -3.0579 -2.5414 -2.5414 -0.5178 -0.5178 -0.4972 -0.4972 4.2429 4.2429 4.7888 4.7888 5.3026 5.3026 7.2505 7.2505 7.8089 7.8089 8.1858 8.1858 8.2227 8.2227 8.4246 8.4246 8.5155 8.5155 12.1673 12.1673 15.3934 15.3934 15.5130 15.5130 16.4635 16.4635 k = 0.0000 0.4189-0.0000 ( 2890 PWs) bands (ev): -16.0578 -16.0578 -8.6165 -8.6165 -8.5090 -8.5090 -7.3071 -7.3071 -6.7268 -6.7268 -6.3303 -6.3303 -4.7394 -4.7394 -4.6460 -4.6460 -3.0578 -3.0578 -2.5391 -2.5391 -0.5142 -0.5142 -0.4943 -0.4943 4.2364 4.2364 4.7847 4.7847 5.3000 5.3000 7.2374 7.2374 7.7977 7.7977 8.1850 8.1850 8.2226 8.2226 8.4183 8.4183 8.5095 8.5095 12.2748 12.2748 15.4298 15.4298 15.5464 15.5464 16.4690 16.4690 k = 0.0000 0.4324-0.0000 ( 2882 PWs) bands (ev): -16.0570 -16.0570 -8.6164 -8.6164 -8.5101 -8.5101 -7.2523 -7.2523 -6.7647 -6.7647 -6.3304 -6.3304 -4.7401 -4.7401 -4.6802 -4.6802 -3.0578 -3.0578 -2.5371 -2.5371 -0.5110 -0.5110 -0.4918 -0.4918 4.2309 4.2309 4.7813 4.7813 5.2977 5.2977 7.2261 7.2261 7.7881 7.7881 8.1844 8.1844 8.2226 8.2226 8.4127 8.4127 8.5043 8.5043 12.3692 12.3692 15.4612 15.4612 15.5740 15.5740 16.4737 16.4737 k = 0.0000 0.4459-0.0000 ( 2890 PWs) bands (ev): -16.0564 -16.0564 -8.6163 -8.6163 -8.5111 -8.5111 -7.1978 -7.1978 -6.8050 -6.8050 -6.3305 -6.3305 -4.7407 -4.7407 -4.7086 -4.7086 -3.0577 -3.0577 -2.5355 -2.5355 -0.5084 -0.5084 -0.4898 -0.4898 4.2264 4.2264 4.7785 4.7785 5.2958 5.2958 7.2168 7.2168 7.7802 7.7802 8.1841 8.1841 8.2228 8.2228 8.4080 8.4080 8.4998 8.4998 12.4489 12.4489 15.4872 15.4872 15.5958 15.5958 16.4777 16.4777 k = 0.0000 0.4595-0.0000 ( 2890 PWs) bands (ev): -16.0559 -16.0559 -8.6162 -8.6162 -8.5119 -8.5119 -7.1439 -7.1439 -6.8476 -6.8476 -6.3306 -6.3306 -4.7412 -4.7412 -4.7309 -4.7309 -3.0577 -3.0577 -2.5343 -2.5343 -0.5064 -0.5064 -0.4882 -0.4882 4.2230 4.2230 4.7763 4.7763 5.2943 5.2943 7.2095 7.2095 7.7741 7.7741 8.1839 8.1839 8.2230 8.2230 8.4042 8.4042 8.4963 8.4963 12.5127 12.5127 15.5078 15.5078 15.6122 15.6122 16.4808 16.4808 k = 0.0000 0.4730-0.0000 ( 2890 PWs) bands (ev): -16.0555 -16.0555 -8.6161 -8.6161 -8.5125 -8.5125 -7.0909 -7.0909 -6.8924 -6.8924 -6.3306 -6.3306 -4.7470 -4.7470 -4.7416 -4.7416 -3.0576 -3.0576 -2.5333 -2.5333 -0.5049 -0.5049 -0.4870 -0.4870 4.2205 4.2205 4.7748 4.7748 5.2932 5.2932 7.2042 7.2042 7.7697 7.7697 8.1838 8.1838 8.2232 8.2232 8.4014 8.4014 8.4937 8.4937 12.5592 12.5592 15.5226 15.5226 15.6236 15.6236 16.4830 16.4830 k = 0.0000 0.4865-0.0000 ( 2890 PWs) bands (ev): -16.0553 -16.0553 -8.6161 -8.6161 -8.5128 -8.5128 -7.0391 -7.0391 -6.9393 -6.9393 -6.3307 -6.3307 -4.7568 -4.7568 -4.7418 -4.7418 -3.0576 -3.0576 -2.5328 -2.5328 -0.5040 -0.5040 -0.4863 -0.4863 4.2190 4.2190 4.7739 4.7739 5.2925 5.2925 7.2010 7.2010 7.7670 7.7670 8.1838 8.1838 8.2233 8.2233 8.3997 8.3997 8.4922 8.4922 12.5875 12.5875 15.5316 15.5316 15.6303 15.6303 16.4844 16.4844 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): -16.0552 -16.0552 -8.6161 -8.6161 -8.5129 -8.5129 -6.9934 -6.9934 -6.9833 -6.9833 -6.3307 -6.3307 -4.7600 -4.7600 -4.7418 -4.7418 -3.0576 -3.0576 -2.5326 -2.5326 -0.5037 -0.5037 -0.4861 -0.4861 4.2185 4.2185 4.7736 4.7736 5.2923 5.2923 7.2000 7.2000 7.7661 7.7661 8.1838 8.1838 8.2234 8.2234 8.3992 8.3992 8.4916 8.4916 12.5971 12.5971 15.5346 15.5346 15.6325 15.6325 16.4849 16.4849 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): -16.0552 -16.0552 -8.6161 -8.6161 -8.5129 -8.5129 -6.9934 -6.9934 -6.9833 -6.9833 -6.3307 -6.3307 -4.7600 -4.7600 -4.7418 -4.7418 -3.0576 -3.0576 -2.5326 -2.5326 -0.5037 -0.5037 -0.4861 -0.4861 4.2185 4.2185 4.7736 4.7736 5.2923 5.2923 7.2000 7.2000 7.7661 7.7661 8.1838 8.1838 8.2234 8.2234 8.3992 8.3992 8.4916 8.4916 12.5971 12.5971 15.5346 15.5346 15.6325 15.6325 16.4849 16.4849 k = 0.0135 0.5000-0.0000 ( 2892 PWs) bands (ev): -16.0551 -16.0551 -8.6155 -8.6155 -8.5122 -8.5122 -6.9936 -6.9936 -6.9833 -6.9833 -6.3309 -6.3309 -4.7602 -4.7602 -4.7419 -4.7419 -3.0598 -3.0598 -2.5328 -2.5328 -0.5039 -0.5039 -0.4865 -0.4865 4.1953 4.1953 4.7900 4.7900 5.3025 5.3025 7.1999 7.1999 7.7659 7.7659 8.1842 8.1842 8.2237 8.2237 8.3996 8.3996 8.4918 8.4918 12.5984 12.5984 15.5360 15.5360 15.6348 15.6348 16.4867 16.4867 k = 0.0270 0.5000-0.0000 ( 2892 PWs) bands (ev): -16.0550 -16.0550 -8.6139 -8.6139 -8.5099 -8.5099 -6.9941 -6.9941 -6.9833 -6.9833 -6.3314 -6.3314 -4.7605 -4.7605 -4.7420 -4.7420 -3.0662 -3.0662 -2.5332 -2.5332 -0.5044 -0.5044 -0.4876 -0.4876 4.1344 4.1344 4.8298 4.8298 5.3339 5.3339 7.1997 7.1997 7.7654 7.7654 8.1851 8.1851 8.2249 8.2249 8.4006 8.4006 8.4926 8.4926 12.6025 12.6025 15.5404 15.5404 15.6419 15.6419 16.4922 16.4922 k = 0.0405 0.5000-0.0000 ( 2892 PWs) bands (ev): -16.0547 -16.0547 -8.6113 -8.6113 -8.5059 -8.5059 -6.9949 -6.9949 -6.9834 -6.9834 -6.3323 -6.3323 -4.7612 -4.7612 -4.7422 -4.7422 -3.0769 -3.0769 -2.5340 -2.5340 -0.5053 -0.5053 -0.4894 -0.4894 4.0509 4.0509 4.8764 4.8764 5.3879 5.3879 7.1993 7.1993 7.7648 7.7648 8.1862 8.1862 8.2275 8.2275 8.4016 8.4016 8.4946 8.4946 12.6092 12.6092 15.5474 15.5474 15.6539 15.6539 16.5012 16.5012 k = 0.0541 0.5000-0.0000 ( 2892 PWs) bands (ev): -16.0543 -16.0543 -8.6080 -8.6080 -8.5001 -8.5001 -6.9961 -6.9961 -6.9834 -6.9834 -6.3335 -6.3335 -4.7622 -4.7622 -4.7425 -4.7425 -3.0918 -3.0918 -2.5350 -2.5350 -0.5068 -0.5068 -0.4917 -0.4917 3.9558 3.9558 4.9188 4.9188 5.4641 5.4641 7.1986 7.1986 7.7641 7.7641 8.1866 8.1866 8.2322 8.2322 8.4016 8.4016 8.4986 8.4986 12.6188 12.6188 15.5569 15.5569 15.6708 15.6708 16.5139 16.5139 k = 0.0676 0.5000-0.0000 ( 2894 PWs) bands (ev): -16.0538 -16.0538 -8.6041 -8.6041 -8.4922 -8.4922 -6.9977 -6.9977 -6.9835 -6.9835 -6.3351 -6.3351 -4.7634 -4.7634 -4.7429 -4.7429 -3.1108 -3.1108 -2.5364 -2.5364 -0.5089 -0.5089 -0.4944 -0.4944 3.8556 3.8556 4.9535 4.9535 5.5597 5.5597 7.1974 7.1974 7.7637 7.7637 8.1859 8.1859 8.2395 8.2395 8.3997 8.3997 8.5055 8.5055 12.6311 12.6311 15.5687 15.5687 15.6930 15.6930 16.5299 16.5299 k = 0.0811 0.5000-0.0000 ( 2894 PWs) bands (ev): -16.0532 -16.0532 -8.6000 -8.6000 -8.4820 -8.4820 -6.9995 -6.9995 -6.9836 -6.9836 -6.3371 -6.3371 -4.7650 -4.7650 -4.7433 -4.7433 -3.1337 -3.1337 -2.5380 -2.5380 -0.5118 -0.5118 -0.4972 -0.4972 3.7537 3.7537 4.9812 4.9812 5.6701 5.6701 7.1957 7.1957 7.7639 7.7639 8.1839 8.1839 8.2497 8.2497 8.3951 8.3951 8.5158 8.5158 12.6463 12.6463 15.5825 15.5825 15.7203 15.7203 16.5492 16.5492 k = 0.0946 0.5000-0.0000 ( 2894 PWs) bands (ev): -16.0526 -16.0526 -8.5959 -8.5959 -8.4694 -8.4694 -7.0016 -7.0016 -6.9837 -6.9837 -6.3395 -6.3395 -4.7669 -4.7669 -4.7438 -4.7438 -3.1605 -3.1605 -2.5399 -2.5399 -0.5159 -0.5159 -0.4998 -0.4998 3.6523 3.6523 5.0039 5.0039 5.7907 5.7907 7.1933 7.1933 7.7649 7.7649 8.1805 8.1805 8.2627 8.2627 8.3877 8.3877 8.5296 8.5296 12.6645 12.6645 15.5983 15.5983 15.7530 15.7530 16.5717 16.5717 k = 0.1081 0.5000-0.0000 ( 2894 PWs) bands (ev): -16.0518 -16.0518 -8.5919 -8.5919 -8.4540 -8.4540 -7.0040 -7.0040 -6.9839 -6.9839 -6.3423 -6.3423 -4.7691 -4.7691 -4.7444 -4.7444 -3.1909 -3.1909 -2.5420 -2.5420 -0.5211 -0.5211 -0.5021 -0.5021 3.5524 3.5524 5.0235 5.0235 5.9181 5.9181 7.1900 7.1900 7.7670 7.7670 8.1761 8.1761 8.2784 8.2784 8.3777 8.3777 8.5464 8.5464 12.6857 12.6857 15.6158 15.6158 15.7909 15.7909 16.5972 16.5972 k = 0.1216 0.5000-0.0000 ( 2894 PWs) bands (ev): -16.0509 -16.0509 -8.5882 -8.5882 -8.4360 -8.4360 -7.0067 -7.0067 -6.9841 -6.9841 -6.3454 -6.3454 -4.7718 -4.7718 -4.7450 -4.7450 -3.2249 -3.2249 -2.5443 -2.5443 -0.5273 -0.5273 -0.5043 -0.5043 3.4551 3.4551 5.0413 5.0413 6.0496 6.0496 7.1857 7.1857 7.7705 7.7705 8.1706 8.1706 8.2967 8.2967 8.3655 8.3655 8.5659 8.5659 12.7100 12.7100 15.6350 15.6350 15.8340 15.8340 16.6253 16.6253 k = 0.1351 0.5000-0.0000 ( 2896 PWs) bands (ev): -16.0500 -16.0500 -8.5847 -8.5847 -8.4152 -8.4152 -7.0096 -7.0096 -6.9844 -6.9844 -6.3490 -6.3490 -4.7749 -4.7749 -4.7457 -4.7457 -3.2620 -3.2620 -2.5469 -2.5469 -0.5343 -0.5343 -0.5062 -0.5062 3.3608 3.3608 5.0581 5.0581 6.1833 6.1833 7.1805 7.1805 7.7755 7.7755 8.1644 8.1644 8.3175 8.3175 8.3515 8.3515 8.5877 8.5877 12.7376 12.7376 15.6559 15.6559 15.8820 15.8820 16.6559 16.6559 k = 0.1486 0.5000-0.0000 ( 2900 PWs) bands (ev): -16.0490 -16.0490 -8.5816 -8.5816 -8.3919 -8.3919 -7.0128 -7.0128 -6.9847 -6.9847 -6.3530 -6.3530 -4.7784 -4.7784 -4.7464 -4.7464 -3.3021 -3.3021 -2.5497 -2.5497 -0.5421 -0.5421 -0.5081 -0.5081 3.2699 3.2699 5.0744 5.0744 6.3176 6.3176 7.1743 7.1743 7.7822 7.7822 8.1573 8.1573 8.3351 8.3351 8.3416 8.3416 8.6112 8.6112 12.7686 12.7686 15.6784 15.6784 15.9347 15.9347 16.6885 16.6885 k = 0.1622 0.5000-0.0000 ( 2904 PWs) bands (ev): -16.0479 -16.0479 -8.5788 -8.5788 -8.3659 -8.3659 -7.0162 -7.0162 -6.9851 -6.9851 -6.3575 -6.3575 -4.7825 -4.7825 -4.7472 -4.7472 -3.3449 -3.3449 -2.5526 -2.5526 -0.5504 -0.5504 -0.5100 -0.5100 3.1827 3.1827 5.0906 5.0906 6.4509 6.4509 7.1672 7.1672 7.7907 7.7907 8.1496 8.1496 8.3188 8.3188 8.3669 8.3669 8.6362 8.6362 12.8031 12.8031 15.7023 15.7023 15.9919 15.9919 16.7221 16.7221 k = 0.1757 0.5000-0.0000 ( 2906 PWs) bands (ev): -16.0467 -16.0467 -8.5762 -8.5762 -8.3375 -8.3375 -7.0198 -7.0198 -6.9856 -6.9856 -6.3625 -6.3625 -4.7870 -4.7870 -4.7480 -4.7480 -3.3900 -3.3900 -2.5557 -2.5557 -0.5593 -0.5593 -0.5118 -0.5118 3.0993 3.0993 5.1069 5.1069 6.5821 6.5821 7.1597 7.1597 7.8008 7.8008 8.1413 8.1413 8.3008 8.3008 8.3952 8.3952 8.6624 8.6624 12.8413 12.8413 15.7277 15.7277 16.0533 16.0533 16.7519 16.7519 k = 0.1892 0.5000-0.0000 ( 2906 PWs) bands (ev): -16.0456 -16.0456 -8.5738 -8.5738 -8.3068 -8.3068 -7.0235 -7.0235 -6.9862 -6.9862 -6.3679 -6.3679 -4.7922 -4.7922 -4.7488 -4.7488 -3.4371 -3.4371 -2.5589 -2.5589 -0.5685 -0.5685 -0.5136 -0.5136 3.0199 3.0199 5.1233 5.1233 6.7095 6.7095 7.1523 7.1523 7.8126 7.8126 8.1325 8.1325 8.2819 8.2819 8.4261 8.4261 8.6896 8.6896 12.8833 12.8833 15.7544 15.7544 16.1185 16.1185 16.7398 16.7398 k = 0.2027 0.5000-0.0000 ( 2902 PWs) bands (ev): -16.0443 -16.0443 -8.5715 -8.5715 -8.2738 -8.2738 -7.0274 -7.0274 -6.9869 -6.9869 -6.3739 -6.3739 -4.7981 -4.7981 -4.7497 -4.7497 -3.4859 -3.4859 -2.5622 -2.5622 -0.5780 -0.5780 -0.5154 -0.5154 2.9446 2.9446 5.1400 5.1400 6.8305 6.8305 7.1468 7.1468 7.8258 7.8258 8.1232 8.1232 8.2624 8.2624 8.4595 8.4595 8.7176 8.7176 12.9291 12.9291 15.7823 15.7823 16.1868 16.1868 16.6935 16.6935 k = 0.2162 0.5000-0.0000 ( 2902 PWs) bands (ev): -16.0431 -16.0431 -8.5694 -8.5694 -8.2388 -8.2388 -7.0314 -7.0314 -6.9877 -6.9877 -6.3805 -6.3805 -4.8046 -4.8046 -4.7506 -4.7506 -3.5359 -3.5359 -2.5657 -2.5657 -0.5878 -0.5878 -0.5172 -0.5172 2.8732 2.8732 5.1569 5.1569 6.9394 6.9394 7.1484 7.1484 7.8404 7.8404 8.1134 8.1134 8.2424 8.2424 8.4957 8.4957 8.7460 8.7460 12.9790 12.9790 15.8113 15.8113 16.2577 16.2577 16.6434 16.6434 k = 0.2297 0.5000-0.0000 ( 2906 PWs) bands (ev): -16.0418 -16.0418 -8.5674 -8.5674 -8.2018 -8.2018 -7.0354 -7.0354 -6.9887 -6.9887 -6.3876 -6.3876 -4.8120 -4.8120 -4.7516 -4.7516 -3.5866 -3.5866 -2.5691 -2.5691 -0.5977 -0.5977 -0.5189 -0.5189 2.8059 2.8059 5.1739 5.1739 7.0185 7.0185 7.1739 7.1739 7.8562 7.8562 8.1033 8.1033 8.2222 8.2222 8.5344 8.5344 8.7747 8.7747 13.0331 13.0331 15.8412 15.8412 16.3296 16.3296 16.5935 16.5935 k = 0.2432 0.5000-0.0000 ( 2906 PWs) bands (ev): -16.0405 -16.0405 -8.5656 -8.5656 -8.1629 -8.1629 -7.0396 -7.0396 -6.9898 -6.9898 -6.3953 -6.3953 -4.8202 -4.8202 -4.7525 -4.7525 -3.6378 -3.6378 -2.5726 -2.5726 -0.6077 -0.6077 -0.5206 -0.5206 2.7426 2.7426 5.1911 5.1911 7.0481 7.0481 7.2428 7.2428 7.8728 7.8728 8.0930 8.0930 8.2018 8.2018 8.5758 8.5758 8.8035 8.8035 13.0914 13.0914 15.8720 15.8720 16.3992 16.3992 16.5474 16.5474 k = 0.2568 0.5000-0.0000 ( 2902 PWs) bands (ev): -16.0391 -16.0391 -8.5638 -8.5638 -8.1224 -8.1224 -7.0438 -7.0438 -6.9911 -6.9911 -6.4037 -6.4037 -4.8293 -4.8293 -4.7534 -4.7534 -3.6888 -3.6888 -2.5762 -2.5762 -0.6176 -0.6176 -0.5223 -0.5223 2.6832 2.6832 5.2083 5.2083 7.0493 7.0493 7.3331 7.3331 7.8901 7.8901 8.0823 8.0823 8.1815 8.1815 8.6196 8.6196 8.8323 8.8323 13.1539 13.1539 15.9033 15.9033 16.4453 16.4453 16.5254 16.5254 k = 0.2703 0.5000-0.0000 ( 2898 PWs) bands (ev): -16.0378 -16.0378 -8.5621 -8.5621 -8.0804 -8.0804 -7.0480 -7.0480 -6.9927 -6.9927 -6.4128 -6.4128 -4.8394 -4.8394 -4.7544 -4.7544 -3.7392 -3.7392 -2.5797 -2.5797 -0.6275 -0.6275 -0.5239 -0.5239 2.6278 2.6278 5.2255 5.2255 7.0417 7.0417 7.4253 7.4253 7.9078 7.9078 8.0716 8.0716 8.1615 8.1615 8.6658 8.6658 8.8608 8.8608 13.2206 13.2206 15.9351 15.9351 16.4236 16.4236 16.5704 16.5704 k = 0.2838 0.5000-0.0000 ( 2900 PWs) bands (ev): -16.0365 -16.0365 -8.5605 -8.5605 -8.0370 -8.0370 -7.0522 -7.0522 -6.9945 -6.9945 -6.4225 -6.4225 -4.8505 -4.8505 -4.7554 -4.7554 -3.7885 -3.7885 -2.5832 -2.5832 -0.6372 -0.6372 -0.5254 -0.5254 2.5761 2.5761 5.2425 5.2425 7.0308 7.0308 7.5132 7.5132 7.9258 7.9258 8.0607 8.0607 8.1419 8.1419 8.7140 8.7140 8.8889 8.8889 13.2915 13.2915 15.9669 15.9669 16.3816 16.3816 16.6331 16.6331 k = 0.2973 0.5000-0.0000 ( 2896 PWs) bands (ev): -16.0353 -16.0353 -8.5589 -8.5589 -7.9924 -7.9924 -7.0563 -7.0563 -6.9967 -6.9967 -6.4329 -6.4329 -4.8626 -4.8626 -4.7563 -4.7563 -3.8364 -3.8364 -2.5866 -2.5866 -0.6467 -0.6467 -0.5269 -0.5269 2.5281 2.5281 5.2593 5.2593 7.0188 7.0188 7.5951 7.5951 7.9437 7.9437 8.0499 8.0499 8.1228 8.1228 8.7638 8.7638 8.9164 8.9164 13.3664 13.3664 15.9986 15.9986 16.3387 16.3387 16.6914 16.6914 k = 0.3108 0.5000-0.0000 ( 2898 PWs) bands (ev): -16.0340 -16.0340 -8.5575 -8.5575 -7.9468 -7.9468 -7.0605 -7.0605 -6.9992 -6.9992 -6.4440 -6.4440 -4.8757 -4.8757 -4.7572 -4.7572 -3.8823 -3.8823 -2.5899 -2.5899 -0.6559 -0.6559 -0.5282 -0.5282 2.4838 2.4838 5.2758 5.2758 7.0062 7.0062 7.6702 7.6702 7.9613 7.9613 8.0391 8.0391 8.1046 8.1046 8.8147 8.8147 8.9431 8.9431 13.4450 13.4450 16.0294 16.0294 16.2981 16.2981 16.7390 16.7390 k = 0.3243 0.5000-0.0000 ( 2898 PWs) bands (ev): -16.0328 -16.0328 -8.5561 -8.5561 -7.9005 -7.9005 -7.0646 -7.0646 -7.0021 -7.0021 -6.4557 -6.4557 -4.8898 -4.8898 -4.7581 -4.7581 -3.9258 -3.9258 -2.5931 -2.5931 -0.6648 -0.6648 -0.5295 -0.5295 2.4431 2.4431 5.2919 5.2919 6.9937 6.9937 7.7382 7.7382 7.9783 7.9783 8.0286 8.0286 8.0875 8.0875 8.8660 8.8660 8.9688 8.9688 13.5270 13.5270 16.0585 16.0585 16.2616 16.2616 16.7715 16.7715 k = 0.3378 0.5000-0.0000 ( 2902 PWs) bands (ev): -16.0317 -16.0317 -8.5548 -8.5548 -7.8537 -7.8537 -7.0686 -7.0686 -7.0055 -7.0055 -6.4681 -6.4681 -4.9047 -4.9047 -4.7590 -4.7590 -3.9666 -3.9666 -2.5962 -2.5962 -0.6732 -0.6732 -0.5307 -0.5307 2.4058 2.4058 5.3073 5.3073 6.9814 6.9814 7.7992 7.7992 7.9940 7.9940 8.0186 8.0186 8.0719 8.0719 8.9170 8.9170 8.9934 8.9934 13.6118 13.6118 16.0837 16.0837 16.2316 16.2316 16.7864 16.7864 k = 0.3514 0.5000-0.0000 ( 2902 PWs) bands (ev): -16.0306 -16.0306 -8.5536 -8.5536 -7.8067 -7.8067 -7.0726 -7.0726 -7.0094 -7.0094 -6.4810 -6.4810 -4.9203 -4.9203 -4.7598 -4.7598 -4.0044 -4.0044 -2.5992 -2.5992 -0.6812 -0.6812 -0.5318 -0.5318 2.3718 2.3718 5.3221 5.3221 6.9696 6.9696 7.8534 7.8534 8.0036 8.0036 8.0130 8.0130 8.0586 8.0586 8.9669 8.9669 9.0167 9.0167 13.6988 13.6988 16.1006 16.1006 16.2130 16.2130 16.7831 16.7831 k = 0.3649 0.5000-0.0000 ( 2902 PWs) bands (ev): -16.0296 -16.0296 -8.5524 -8.5524 -7.7599 -7.7599 -7.0765 -7.0765 -7.0138 -7.0138 -6.4943 -6.4943 -4.9364 -4.9364 -4.7606 -4.7606 -4.0390 -4.0390 -2.6019 -2.6019 -0.6887 -0.6887 -0.5328 -0.5328 2.3411 2.3411 5.3360 5.3360 6.9584 6.9584 7.9009 7.9009 7.9968 7.9968 8.0193 8.0193 8.0510 8.0510 9.0149 9.0149 9.0386 9.0386 13.7871 13.7871 16.1030 16.1030 16.2120 16.2120 16.7632 16.7632 k = 0.3784 0.5000-0.0000 ( 2902 PWs) bands (ev): -16.0286 -16.0286 -8.5514 -8.5514 -7.7135 -7.7135 -7.0805 -7.0805 -7.0189 -7.0189 -6.5078 -6.5078 -4.9526 -4.9526 -4.7613 -4.7613 -4.0702 -4.0702 -2.6045 -2.6045 -0.6956 -0.6956 -0.5338 -0.5338 2.3137 2.3137 5.3491 5.3491 6.9479 6.9479 7.9414 7.9414 7.9882 7.9882 8.0184 8.0184 8.0544 8.0544 9.0579 9.0579 9.0614 9.0614 13.8756 13.8756 16.0935 16.0935 16.2262 16.2262 16.7296 16.7296 k = 0.3919 0.5000-0.0000 ( 2904 PWs) bands (ev): -16.0277 -16.0277 -8.5505 -8.5505 -7.6682 -7.6682 -7.0845 -7.0845 -7.0245 -7.0245 -6.5214 -6.5214 -4.9686 -4.9686 -4.7620 -4.7620 -4.0979 -4.0979 -2.6068 -2.6068 -0.7019 -0.7019 -0.5346 -0.5346 2.2893 2.2893 5.3611 5.3611 6.9383 6.9383 7.9697 7.9697 7.9835 7.9835 8.0142 8.0142 8.0644 8.0644 9.0772 9.0772 9.1029 9.1029 13.9631 13.9631 16.0810 16.0810 16.2472 16.2472 16.6850 16.6850 k = 0.4054 0.5000-0.0000 ( 2908 PWs) bands (ev): -16.0270 -16.0270 -8.5497 -8.5497 -7.6243 -7.6243 -7.0887 -7.0887 -7.0306 -7.0306 -6.5346 -6.5346 -4.9841 -4.9841 -4.7626 -4.7626 -4.1220 -4.1220 -2.6090 -2.6090 -0.7075 -0.7075 -0.5353 -0.5353 2.2680 2.2680 5.3720 5.3720 6.9297 6.9297 7.9684 7.9684 7.9899 7.9899 8.0228 8.0228 8.0757 8.0757 9.0939 9.0939 9.1414 9.1414 14.0480 14.0480 16.0707 16.0707 16.2696 16.2696 16.6322 16.6322 k = 0.4189 0.5000-0.0000 ( 2908 PWs) bands (ev): -16.0263 -16.0263 -8.5489 -8.5489 -7.5827 -7.5827 -7.0932 -7.0932 -7.0369 -7.0369 -6.5473 -6.5473 -4.9986 -4.9986 -4.7631 -4.7631 -4.1427 -4.1427 -2.6108 -2.6108 -0.7125 -0.7125 -0.5359 -0.5359 2.2496 2.2496 5.3816 5.3816 6.9220 6.9220 7.9614 7.9614 7.9861 7.9861 8.0435 8.0435 8.0869 8.0869 9.1087 9.1087 9.1756 9.1756 14.1285 14.1285 16.0653 16.0653 16.2909 16.2909 16.5739 16.5739 k = 0.4324 0.5000-0.0000 ( 2904 PWs) bands (ev): -16.0257 -16.0257 -8.5483 -8.5483 -7.5440 -7.5440 -7.0982 -7.0982 -7.0432 -7.0432 -6.5589 -6.5589 -5.0116 -5.0116 -4.7635 -4.7635 -4.1600 -4.1600 -2.6124 -2.6124 -0.7168 -0.7168 -0.5365 -0.5365 2.2342 2.2342 5.3900 5.3900 6.9154 6.9154 7.9549 7.9549 7.9803 7.9803 8.0625 8.0625 8.0975 8.0975 9.1213 9.1213 9.2052 9.2052 14.2025 14.2025 16.0663 16.0663 16.3093 16.3093 16.5130 16.5130 k = 0.4459 0.5000-0.0000 ( 2904 PWs) bands (ev): -16.0252 -16.0252 -8.5478 -8.5478 -7.5092 -7.5092 -7.1037 -7.1037 -7.0490 -7.0490 -6.5692 -6.5692 -5.0229 -5.0229 -4.7639 -4.7639 -4.1740 -4.1740 -2.6137 -2.6137 -0.7203 -0.7203 -0.5369 -0.5369 2.2217 2.2217 5.3969 5.3969 6.9100 6.9100 7.9492 7.9492 7.9750 7.9750 8.0774 8.0774 8.1073 8.1073 9.1318 9.1318 9.2298 9.2298 14.2676 14.2676 16.0747 16.0747 16.3219 16.3219 16.4535 16.4536 k = 0.4595 0.5000-0.0000 ( 2904 PWs) bands (ev): -16.0248 -16.0248 -8.5474 -8.5474 -7.4797 -7.4797 -7.1094 -7.1094 -7.0539 -7.0539 -6.5777 -6.5777 -5.0321 -5.0321 -4.7642 -4.7642 -4.1847 -4.1847 -2.6148 -2.6148 -0.7230 -0.7230 -0.5372 -0.5372 2.2119 2.2119 5.4023 5.4023 6.9057 6.9057 7.9447 7.9447 7.9707 7.9707 8.0880 8.0880 8.1161 8.1161 9.1400 9.1400 9.2492 9.2492 14.3216 14.3216 16.0914 16.0914 16.3201 16.3201 16.4057 16.4057 k = 0.4730 0.5000-0.0000 ( 2898 PWs) bands (ev): -16.0245 -16.0245 -8.5471 -8.5471 -7.4569 -7.4569 -7.1148 -7.1148 -7.0575 -7.0575 -6.5840 -6.5840 -5.0389 -5.0389 -4.7644 -4.7644 -4.1923 -4.1923 -2.6155 -2.6155 -0.7250 -0.7250 -0.5375 -0.5375 2.2050 2.2050 5.4063 5.4063 6.9026 6.9026 7.9414 7.9414 7.9676 7.9676 8.0949 8.0949 8.1230 8.1230 9.1459 9.1459 9.2631 9.2631 14.3622 14.3622 16.1167 16.1167 16.2888 16.2888 16.3863 16.3863 k = 0.4865 0.5000-0.0000 ( 2874 PWs) bands (ev): -16.0243 -16.0243 -8.5469 -8.5469 -7.4423 -7.4423 -7.1186 -7.1186 -7.0597 -7.0597 -6.5879 -6.5879 -5.0430 -5.0430 -4.7645 -4.7645 -4.1969 -4.1969 -2.6160 -2.6160 -0.7262 -0.7262 -0.5376 -0.5376 2.2009 2.2009 5.4087 5.4087 6.9008 6.9008 7.9394 7.9394 7.9658 7.9658 8.0988 8.0988 8.1274 8.1274 9.1495 9.1495 9.2715 9.2715 14.3874 14.3874 16.1506 16.1506 16.2410 16.2410 16.3844 16.3844 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -16.0243 -16.0243 -8.5468 -8.5468 -7.4373 -7.4373 -7.1201 -7.1201 -7.0604 -7.0604 -6.5893 -6.5893 -5.0444 -5.0444 -4.7646 -4.7646 -4.1984 -4.1984 -2.6161 -2.6161 -0.7266 -0.7266 -0.5377 -0.5377 2.1995 2.1995 5.4095 5.4095 6.9001 6.9001 7.9387 7.9387 7.9652 7.9652 8.1001 8.1001 8.1289 8.1289 9.1507 9.1507 9.2744 9.2744 14.3960 14.3960 16.1870 16.1870 16.1987 16.1987 16.3848 16.3848 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -16.0243 -16.0243 -8.5468 -8.5468 -7.4373 -7.4373 -7.1201 -7.1201 -7.0604 -7.0604 -6.5893 -6.5893 -5.0444 -5.0444 -4.7646 -4.7646 -4.1984 -4.1984 -2.6161 -2.6161 -0.7266 -0.7266 -0.5377 -0.5377 2.1995 2.1995 5.4095 5.4095 6.9001 6.9001 7.9387 7.9387 7.9652 7.9652 8.1001 8.1001 8.1289 8.1289 9.1507 9.1507 9.2744 9.2744 14.3960 14.3960 16.1870 16.1870 16.1987 16.1987 16.3848 16.3848 k = 0.4904 0.4904-0.0000 ( 2878 PWs) bands (ev): -16.0244 -16.0244 -8.5469 -8.5469 -7.4423 -7.4423 -7.1188 -7.1188 -7.0594 -7.0594 -6.5879 -6.5879 -5.0430 -5.0430 -4.7645 -4.7645 -4.1969 -4.1969 -2.6160 -2.6160 -0.7262 -0.7262 -0.5376 -0.5376 2.2009 2.2009 5.4087 5.4087 6.9008 6.9008 7.9394 7.9394 7.9658 7.9658 8.0988 8.0988 8.1274 8.1274 9.1494 9.1494 9.2715 9.2715 14.3873 14.3873 16.1501 16.1501 16.2417 16.2417 16.3843 16.3843 k = 0.4808 0.4808-0.0000 ( 2904 PWs) bands (ev): -16.0245 -16.0245 -8.5471 -8.5471 -7.4567 -7.4567 -7.1179 -7.1179 -7.0545 -7.0545 -6.5840 -6.5840 -5.0388 -5.0388 -4.7644 -4.7644 -4.1923 -4.1923 -2.6155 -2.6155 -0.7250 -0.7250 -0.5375 -0.5375 2.2051 2.2051 5.4062 5.4062 6.9026 6.9026 7.9413 7.9413 7.9677 7.9677 8.0950 8.0950 8.1228 8.1228 9.1456 9.1456 9.2632 9.2632 14.3614 14.3614 16.1146 16.1146 16.2938 16.2938 16.3841 16.3841 k = 0.4712 0.4712-0.0000 ( 2904 PWs) bands (ev): -16.0248 -16.0248 -8.5474 -8.5474 -7.4786 -7.4786 -7.1227 -7.1227 -7.0419 -7.0419 -6.5778 -6.5778 -5.0317 -5.0317 -4.7642 -4.7642 -4.1848 -4.1848 -2.6148 -2.6148 -0.7230 -0.7230 -0.5372 -0.5372 2.2121 2.2121 5.4023 5.4023 6.9058 6.9058 7.9444 7.9444 7.9711 7.9711 8.0885 8.0885 8.1154 8.1154 9.1388 9.1388 9.2501 9.2501 14.3193 14.3193 16.0857 16.0857 16.3392 16.3392 16.3945 16.3945 k = 0.4615 0.4615-0.0000 ( 2896 PWs) bands (ev): -16.0252 -16.0252 -8.5478 -8.5478 -7.5058 -7.5058 -7.1347 -7.1347 -7.0215 -7.0215 -6.5696 -6.5696 -5.0217 -5.0217 -4.7639 -4.7639 -4.1743 -4.1743 -2.6137 -2.6137 -0.7202 -0.7202 -0.5369 -0.5369 2.2218 2.2218 5.3968 5.3968 6.9101 6.9101 7.9484 7.9484 7.9761 7.9761 8.0794 8.0794 8.1053 8.1053 9.1279 9.1279 9.2336 9.2336 14.2619 14.2619 16.0628 16.0628 16.3523 16.3523 16.4408 16.4408 k = 0.4519 0.4519-0.0000 ( 2908 PWs) bands (ev): -16.0257 -16.0257 -8.5483 -8.5483 -7.5368 -7.5368 -7.1525 -7.1525 -6.9961 -6.9961 -6.5599 -6.5599 -5.0090 -5.0090 -4.7635 -4.7635 -4.1610 -4.1610 -2.6124 -2.6124 -0.7168 -0.7168 -0.5365 -0.5365 2.2344 2.2344 5.3899 5.3899 6.9157 6.9157 7.9529 7.9529 7.9826 7.9826 8.0678 8.0678 8.0926 8.0926 9.1117 9.1117 9.2154 9.2154 14.1906 14.1906 16.0449 16.0449 16.3497 16.3497 16.5063 16.5063 k = 0.4423 0.4423-0.0000 ( 2912 PWs) bands (ev): -16.0263 -16.0263 -8.5489 -8.5489 -7.5704 -7.5704 -7.1745 -7.1745 -6.9678 -6.9678 -6.5492 -6.5492 -4.9934 -4.9934 -4.7630 -4.7630 -4.1450 -4.1450 -2.6109 -2.6109 -0.7126 -0.7126 -0.5359 -0.5359 2.2497 2.2497 5.3816 5.3816 6.9224 6.9224 7.9577 7.9577 7.9903 7.9903 8.0541 8.0541 8.0773 8.0773 9.0886 9.0886 9.1976 9.1976 14.1070 14.1070 16.0302 16.0302 16.3452 16.3452 16.5776 16.5776 k = 0.4327 0.4327-0.0000 ( 2916 PWs) bands (ev): -16.0271 -16.0271 -8.5496 -8.5496 -7.6056 -7.6056 -7.1998 -7.1998 -6.9380 -6.9380 -6.5378 -6.5378 -4.9750 -4.9750 -4.7624 -4.7624 -4.1265 -4.1265 -2.6091 -2.6091 -0.7078 -0.7078 -0.5353 -0.5353 2.2679 2.2679 5.3721 5.3721 6.9303 6.9303 7.9628 7.9628 7.9971 7.9971 8.0406 8.0406 8.0596 8.0596 9.0581 9.0581 9.1816 9.1816 14.0125 14.0125 16.0167 16.0167 16.3422 16.3422 16.6517 16.6517 k = 0.4231 0.4231-0.0000 ( 2910 PWs) bands (ev): -16.0279 -16.0279 -8.5504 -8.5504 -7.6418 -7.6418 -7.2276 -7.2276 -6.9075 -6.9075 -6.5261 -6.5261 -4.9538 -4.9538 -4.7617 -4.7617 -4.1055 -4.1055 -2.6071 -2.6071 -0.7024 -0.7024 -0.5346 -0.5346 2.2888 2.2888 5.3615 5.3615 6.9392 6.9392 7.9681 7.9681 7.9956 7.9956 8.0324 8.0324 8.0414 8.0414 9.0209 9.0209 9.1673 9.1673 13.9086 13.9086 16.0022 16.0022 16.3425 16.3425 16.7267 16.7267 k = 0.4135 0.4135-0.0000 ( 2908 PWs) bands (ev): -16.0288 -16.0288 -8.5513 -8.5513 -7.6787 -7.6787 -7.2575 -7.2575 -6.8770 -6.8770 -6.5143 -6.5143 -4.9298 -4.9298 -4.7609 -4.7609 -4.0823 -4.0823 -2.6049 -2.6049 -0.6965 -0.6965 -0.5338 -0.5338 2.3125 2.3125 5.3499 5.3499 6.9492 6.9492 7.9734 7.9734 7.9809 7.9809 8.0129 8.0129 8.0444 8.0444 8.9785 8.9785 9.1543 9.1543 13.7966 13.7966 15.9849 15.9849 16.3476 16.3476 16.8009 16.8009 k = 0.4038 0.4038-0.0000 ( 2912 PWs) bands (ev): -16.0299 -16.0299 -8.5522 -8.5522 -7.7160 -7.7160 -7.2889 -7.2889 -6.8467 -6.8467 -6.5026 -6.5026 -4.9031 -4.9031 -4.7600 -4.7600 -4.0571 -4.0571 -2.6026 -2.6026 -0.6902 -0.6902 -0.5329 -0.5329 2.3390 2.3390 5.3374 5.3374 6.9601 6.9601 7.9598 7.9598 7.9762 7.9762 7.9883 7.9883 8.0581 8.0581 8.9327 8.9327 9.1418 9.1418 13.6778 13.6778 15.9635 15.9635 16.3579 16.3579 16.8713 16.8713 k = 0.3942 0.3942-0.0000 ( 2910 PWs) bands (ev): -16.0310 -16.0310 -8.5532 -8.5532 -7.7534 -7.7534 -7.3216 -7.3216 -6.8169 -6.8169 -6.4912 -6.4912 -4.8738 -4.8738 -4.7589 -4.7589 -4.0300 -4.0300 -2.6001 -2.6001 -0.6836 -0.6836 -0.5319 -0.5319 2.3683 2.3683 5.3242 5.3242 6.9720 6.9720 7.9363 7.9363 7.9501 7.9501 7.9881 7.9881 8.0748 8.0748 8.8850 8.8850 9.1294 9.1294 13.5530 13.5530 15.9372 15.9372 16.3733 16.3733 16.9334 16.9334 k = 0.3846 0.3846-0.0000 ( 2906 PWs) bands (ev): -16.0323 -16.0323 -8.5542 -8.5542 -7.7907 -7.7907 -7.3552 -7.3552 -6.7879 -6.7879 -6.4802 -6.4802 -4.8420 -4.8420 -4.7576 -4.7576 -4.0013 -4.0013 -2.5976 -2.5976 -0.6767 -0.6767 -0.5308 -0.5308 2.4003 2.4003 5.3104 5.3104 6.9846 6.9846 7.9087 7.9087 7.9158 7.9158 7.9947 7.9947 8.0932 8.0932 8.8367 8.8367 9.1169 9.1169 13.4232 13.4232 15.9061 15.9061 16.3931 16.3931 16.9795 16.9795 k = 0.3750 0.3750-0.0000 ( 2910 PWs) bands (ev): -16.0336 -16.0336 -8.5553 -8.5553 -7.8278 -7.8278 -7.3895 -7.3895 -6.7597 -6.7597 -6.4697 -6.4697 -4.8082 -4.8082 -4.7556 -4.7556 -3.9711 -3.9711 -2.5950 -2.5950 -0.6698 -0.6698 -0.5296 -0.5296 2.4352 2.4352 5.2962 5.2962 6.9979 6.9979 7.8669 7.8669 7.8898 7.8898 8.0020 8.0020 8.1129 8.1129 8.7890 8.7890 9.1040 9.1040 13.2892 13.2892 15.8704 15.8704 16.4162 16.4162 16.9975 16.9975 k = 0.3654 0.3654-0.0000 ( 2910 PWs) bands (ev): -16.0351 -16.0351 -8.5564 -8.5564 -7.8646 -7.8646 -7.4243 -7.4243 -6.7325 -6.7325 -6.4596 -6.4596 -4.7751 -4.7751 -4.7501 -4.7501 -3.9396 -3.9396 -2.5925 -2.5925 -0.6628 -0.6628 -0.5283 -0.5283 2.4728 2.4728 5.2817 5.2817 7.0118 7.0118 7.8173 7.8173 7.8662 7.8662 8.0098 8.0098 8.1335 8.1335 8.7431 8.7431 9.0908 9.0908 13.1514 13.1514 15.8308 15.8308 16.4414 16.4414 16.9745 16.9745 k = 0.3558 0.3558-0.0000 ( 2906 PWs) bands (ev): -16.0366 -16.0366 -8.5576 -8.5576 -7.9009 -7.9009 -7.4593 -7.4593 -6.7064 -6.7064 -6.4501 -6.4501 -4.7596 -4.7596 -4.7246 -4.7246 -3.9072 -3.9072 -2.5900 -2.5900 -0.6559 -0.6559 -0.5269 -0.5269 2.5132 2.5132 5.2670 5.2670 7.0260 7.0260 7.7614 7.7614 7.8439 7.8439 8.0182 8.0182 8.1548 8.1548 8.6996 8.6996 9.0771 9.0771 13.0106 13.0106 15.7876 15.7876 16.4675 16.4675 16.9105 16.9105 k = 0.3462 0.3462-0.0000 ( 2906 PWs) bands (ev): -16.0382 -16.0382 -8.5587 -8.5587 -7.9368 -7.9368 -7.4944 -7.4944 -6.6813 -6.6813 -6.4412 -6.4412 -4.7562 -4.7562 -4.6846 -4.6846 -3.8739 -3.8739 -2.5875 -2.5875 -0.6493 -0.6493 -0.5254 -0.5254 2.5564 2.5564 5.2522 5.2522 7.0405 7.0405 7.6993 7.6993 7.8233 7.8233 8.0269 8.0269 8.1767 8.1767 8.6593 8.6593 9.0630 9.0630 12.8671 12.8671 15.7413 15.7413 16.4933 16.4933 16.8198 16.8198 k = 0.3365 0.3365-0.0000 ( 2906 PWs) bands (ev): -16.0399 -16.0399 -8.5599 -8.5599 -7.9720 -7.9720 -7.5295 -7.5295 -6.6574 -6.6574 -6.4327 -6.4327 -4.7542 -4.7542 -4.6409 -4.6409 -3.8399 -3.8399 -2.5852 -2.5852 -0.6430 -0.6430 -0.5239 -0.5239 2.6023 2.6023 5.2375 5.2375 7.0550 7.0550 7.6315 7.6315 7.8049 7.8049 8.0361 8.0361 8.1990 8.1990 8.6224 8.6224 9.0486 9.0486 12.7214 12.7214 15.6924 15.6924 16.5175 16.5175 16.7155 16.7155 k = 0.3269 0.3269-0.0000 ( 2906 PWs) bands (ev): -16.0417 -16.0417 -8.5611 -8.5611 -8.0067 -8.0067 -7.5643 -7.5643 -6.6345 -6.6345 -6.4248 -6.4248 -4.7524 -4.7524 -4.5947 -4.5947 -3.8054 -3.8054 -2.5830 -2.5830 -0.6371 -0.6371 -0.5224 -0.5224 2.6511 2.6511 5.2230 5.2230 7.0690 7.0690 7.5588 7.5588 7.7890 7.7890 8.0456 8.0456 8.2215 8.2215 8.5891 8.5891 9.0337 9.0337 12.5738 12.5738 15.6411 15.6411 16.5363 16.5363 16.6071 16.6071 k = 0.3173 0.3173-0.0000 ( 2908 PWs) bands (ev): -16.0435 -16.0435 -8.5623 -8.5623 -8.0406 -8.0406 -7.5988 -7.5988 -6.6128 -6.6128 -6.4174 -6.4174 -4.7508 -4.7508 -4.5463 -4.5463 -3.7707 -3.7707 -2.5810 -2.5810 -0.6317 -0.6317 -0.5208 -0.5208 2.7026 2.7026 5.2087 5.2087 7.0818 7.0818 7.4823 7.4823 7.7760 7.7760 8.0555 8.0555 8.2441 8.2441 8.5592 8.5592 9.0186 9.0186 12.4246 12.4246 15.5878 15.5878 16.4795 16.4795 16.5677 16.5677 k = 0.3077 0.3077-0.0000 ( 2906 PWs) bands (ev): -16.0454 -16.0454 -8.5635 -8.5635 -8.0738 -8.0738 -7.6328 -7.6328 -6.5922 -6.5922 -6.4105 -6.4105 -4.7491 -4.7491 -4.4960 -4.4960 -3.7359 -3.7359 -2.5792 -2.5792 -0.6269 -0.6269 -0.5194 -0.5194 2.7569 2.7569 5.1948 5.1948 7.0920 7.0920 7.4042 7.4042 7.7663 7.7663 8.0657 8.0657 8.2666 8.2666 8.5326 8.5326 9.0032 9.0032 12.2741 12.2741 15.5327 15.5327 16.3641 16.3641 16.5816 16.5816 k = 0.2981 0.2981-0.0000 ( 2898 PWs) bands (ev): -16.0474 -16.0474 -8.5647 -8.5647 -8.1062 -8.1062 -7.6663 -7.6663 -6.5726 -6.5726 -6.4040 -6.4040 -4.7474 -4.7474 -4.4440 -4.4440 -3.7010 -3.7010 -2.5776 -2.5776 -0.6227 -0.6227 -0.5180 -0.5180 2.8139 2.8139 5.1813 5.1813 7.0959 7.0959 7.3288 7.3288 7.7599 7.7599 8.0762 8.0762 8.2891 8.2891 8.5090 8.5090 8.9877 8.9877 12.1226 12.1226 15.4761 15.4761 16.2457 16.2457 16.5938 16.5938 k = 0.2885 0.2885-0.0000 ( 2906 PWs) bands (ev): -16.0494 -16.0494 -8.5659 -8.5659 -8.1379 -8.1379 -7.6990 -7.6990 -6.5541 -6.5541 -6.3979 -6.3979 -4.7456 -4.7456 -4.3904 -4.3904 -3.6664 -3.6664 -2.5764 -2.5764 -0.6192 -0.6192 -0.5169 -0.5169 2.8736 2.8736 5.1682 5.1682 7.0838 7.0838 7.2666 7.2666 7.7572 7.7572 8.0870 8.0870 8.3112 8.3112 8.4882 8.4882 8.9719 8.9719 11.9703 11.9703 15.4182 15.4182 16.1270 16.1270 16.6020 16.6020 k = 0.2788 0.2788-0.0000 ( 2906 PWs) bands (ev): -16.0515 -16.0515 -8.5671 -8.5671 -8.1687 -8.1687 -7.7310 -7.7310 -6.5366 -6.5366 -6.3922 -6.3922 -4.7438 -4.7438 -4.3355 -4.3355 -3.6320 -3.6320 -2.5754 -2.5754 -0.6164 -0.6164 -0.5161 -0.5161 2.9360 2.9360 5.1557 5.1557 7.0406 7.0406 7.2334 7.2334 7.7581 7.7581 8.0980 8.0980 8.3330 8.3330 8.4698 8.4698 8.9561 8.9561 11.8174 11.8174 15.3591 15.3591 16.0088 16.0088 16.6058 16.6058 k = 0.2692 0.2692-0.0000 ( 2910 PWs) bands (ev): -16.0536 -16.0536 -8.5684 -8.5684 -8.1986 -8.1986 -7.7622 -7.7622 -6.5201 -6.5201 -6.3869 -6.3869 -4.7420 -4.7420 -4.2793 -4.2793 -3.5980 -3.5980 -2.5748 -2.5748 -0.6142 -0.6142 -0.5157 -0.5157 3.0011 3.0011 5.1438 5.1438 6.9687 6.9687 7.2276 7.2276 7.7626 7.7626 8.1092 8.1092 8.3542 8.3542 8.4538 8.4538 8.9403 8.9403 11.6641 11.6641 15.2991 15.2991 15.8917 15.8917 16.6050 16.6050 k = 0.2596 0.2596-0.0000 ( 2916 PWs) bands (ev): -16.0557 -16.0557 -8.5697 -8.5697 -8.2276 -8.2276 -7.7924 -7.7924 -6.5045 -6.5045 -6.3819 -6.3819 -4.7402 -4.7402 -4.2220 -4.2220 -3.5646 -3.5646 -2.5745 -2.5745 -0.6126 -0.6126 -0.5159 -0.5159 3.0687 3.0687 5.1325 5.1325 6.8827 6.8827 7.2352 7.2352 7.7706 7.7706 8.1206 8.1206 8.3745 8.3745 8.4400 8.4400 8.9245 8.9245 11.5107 11.5107 15.2383 15.2383 15.7761 15.7761 16.5994 16.5994 k = 0.2500 0.2500-0.0000 ( 2917 PWs) bands (ev): -16.0579 -16.0579 -8.5711 -8.5711 -8.2557 -8.2557 -7.8216 -7.8216 -6.4898 -6.4898 -6.3773 -6.3773 -4.7383 -4.7383 -4.1639 -4.1639 -3.5318 -3.5318 -2.5746 -2.5746 -0.6116 -0.6116 -0.5166 -0.5166 3.1388 3.1388 5.1219 5.1219 6.7910 6.7910 7.2488 7.2488 7.7820 7.7820 8.1321 8.1321 8.3928 8.3928 8.4295 8.4295 8.9088 8.9088 11.3574 11.3574 15.1769 15.1769 15.6623 15.6623 16.5893 16.5893 k = 0.2404 0.2404-0.0000 ( 2913 PWs) bands (ev): -16.0601 -16.0601 -8.5725 -8.5725 -8.2828 -8.2828 -7.8497 -7.8497 -6.4759 -6.4759 -6.3729 -6.3729 -4.7364 -4.7364 -4.1051 -4.1051 -3.4997 -3.4997 -2.5751 -2.5751 -0.6111 -0.6111 -0.5180 -0.5180 3.2112 3.2112 5.1120 5.1120 6.6970 6.6970 7.2656 7.2656 7.7965 7.7965 8.1436 8.1436 8.4028 8.4028 8.4280 8.4280 8.8934 8.8934 11.2044 11.2044 15.1150 15.1150 15.5505 15.5505 16.5748 16.5748 k = 0.2308 0.2308-0.0000 ( 2909 PWs) bands (ev): -16.0623 -16.0623 -8.5740 -8.5740 -8.3090 -8.3090 -7.8767 -7.8767 -6.4628 -6.4628 -6.3688 -6.3688 -4.7344 -4.7344 -4.0459 -4.0459 -3.4684 -3.4684 -2.5760 -2.5760 -0.6112 -0.6112 -0.5202 -0.5202 3.2860 3.2860 5.1027 5.1027 6.6023 6.6023 7.2845 7.2845 7.8139 7.8139 8.1553 8.1553 8.3991 8.3991 8.4411 8.4411 8.8782 8.8782 11.0519 11.0519 15.0527 15.0527 15.4411 15.4411 16.5561 16.5561 k = 0.2212 0.2212-0.0000 ( 2903 PWs) bands (ev): -16.0645 -16.0645 -8.5756 -8.5756 -8.3342 -8.3342 -7.9025 -7.9025 -6.4505 -6.4505 -6.3649 -6.3649 -4.7325 -4.7325 -3.9863 -3.9863 -3.4379 -3.4379 -2.5772 -2.5772 -0.6118 -0.6118 -0.5231 -0.5231 3.3628 3.3628 5.0942 5.0942 6.5080 6.5080 7.3051 7.3051 7.8338 7.8338 8.1669 8.1669 8.3918 8.3918 8.4581 8.4581 8.8633 8.8633 10.9002 10.9002 14.9903 14.9903 15.3343 15.3343 16.5338 16.5338 k = 0.2115 0.2115-0.0000 ( 2905 PWs) bands (ev): -16.0666 -16.0666 -8.5772 -8.5772 -8.3584 -8.3584 -7.9271 -7.9271 -6.4389 -6.4389 -6.3613 -6.3613 -4.7305 -4.7305 -3.9267 -3.9267 -3.4084 -3.4084 -2.5789 -2.5789 -0.6127 -0.6127 -0.5269 -0.5269 3.4415 3.4415 5.0863 5.0863 6.4147 6.4147 7.3272 7.3272 7.8559 7.8559 8.1784 8.1784 8.3846 8.3846 8.4754 8.4754 8.8488 8.8488 10.7495 10.7495 14.9278 14.9278 15.2304 15.2304 16.5080 16.5080 k = 0.2019 0.2019-0.0000 ( 2909 PWs) bands (ev): -16.0688 -16.0688 -8.5791 -8.5791 -8.3816 -8.3816 -7.9504 -7.9504 -6.4281 -6.4281 -6.3579 -6.3579 -4.7286 -4.7286 -3.8672 -3.8672 -3.3798 -3.3798 -2.5810 -2.5810 -0.6141 -0.6141 -0.5314 -0.5314 3.5219 3.5219 5.0792 5.0792 6.3232 6.3232 7.3506 7.3506 7.8800 7.8800 8.1899 8.1899 8.3780 8.3780 8.4921 8.4921 8.8347 8.8347 10.6001 10.6001 14.8654 14.8654 15.1294 15.1294 16.4793 16.4793 k = 0.1923 0.1923-0.0000 ( 2909 PWs) bands (ev): -16.0710 -16.0710 -8.5810 -8.5810 -8.4038 -8.4038 -7.9724 -7.9724 -6.4179 -6.4179 -6.3547 -6.3547 -4.7266 -4.7266 -3.8081 -3.8081 -3.3522 -3.3522 -2.5834 -2.5834 -0.6159 -0.6159 -0.5368 -0.5368 3.6037 3.6037 5.0730 5.0730 6.2339 6.2339 7.3752 7.3752 7.9057 7.9057 8.2013 8.2013 8.3721 8.3721 8.5082 8.5082 8.8212 8.8212 10.4524 10.4524 14.8033 14.8033 15.0316 15.0316 16.4479 16.4479 k = 0.1827 0.1827-0.0000 ( 2907 PWs) bands (ev): -16.0731 -16.0731 -8.5831 -8.5831 -8.4250 -8.4250 -7.9930 -7.9930 -6.4083 -6.4083 -6.3517 -6.3517 -4.7247 -4.7247 -3.7495 -3.7495 -3.3257 -3.3257 -2.5862 -2.5862 -0.6179 -0.6179 -0.5428 -0.5428 3.6864 3.6864 5.0675 5.0675 6.1474 6.1474 7.4006 7.4006 7.9327 7.9327 8.2124 8.2124 8.3669 8.3669 8.5235 8.5235 8.8083 8.8083 10.3065 10.3065 14.7417 14.7417 14.9372 14.9372 16.4143 16.4143 k = 0.1731 0.1731-0.0000 ( 2909 PWs) bands (ev): -16.0751 -16.0751 -8.5853 -8.5853 -8.4451 -8.4451 -8.0124 -8.0124 -6.3993 -6.3993 -6.3488 -6.3488 -4.7228 -4.7228 -3.6917 -3.6917 -3.3002 -3.3002 -2.5894 -2.5894 -0.6203 -0.6203 -0.5496 -0.5496 3.7697 3.7697 5.0630 5.0630 6.0641 6.0641 7.4267 7.4267 7.9607 7.9607 8.2234 8.2234 8.3624 8.3624 8.5379 8.5379 8.7960 8.7960 10.1631 10.1631 14.6807 14.6807 14.8464 14.8464 16.3786 16.3786 k = 0.1635 0.1635-0.0000 ( 2903 PWs) bands (ev): -16.0772 -16.0772 -8.5877 -8.5877 -8.4642 -8.4642 -8.0303 -8.0303 -6.3909 -6.3909 -6.3462 -6.3462 -4.7209 -4.7209 -3.6350 -3.6350 -3.2759 -3.2759 -2.5930 -2.5930 -0.6229 -0.6229 -0.5569 -0.5569 3.8531 3.8531 5.0596 5.0596 5.9844 5.9844 7.4530 7.4530 7.9894 7.9894 8.2340 8.2340 8.3584 8.3584 8.5514 8.5514 8.7845 8.7845 10.0224 10.0224 14.6206 14.6206 14.7594 14.7594 16.3411 16.3411 k = 0.1538 0.1538-0.0000 ( 2905 PWs) bands (ev): -16.0791 -16.0791 -8.5902 -8.5902 -8.4822 -8.4822 -8.0469 -8.0469 -6.3831 -6.3831 -6.3437 -6.3437 -4.7191 -4.7191 -3.5794 -3.5794 -3.2527 -3.2527 -2.5968 -2.5968 -0.6257 -0.6257 -0.5648 -0.5648 3.9357 3.9357 5.0575 5.0575 5.9088 5.9088 7.4793 7.4793 8.0186 8.0186 8.2444 8.2444 8.3549 8.3549 8.5638 8.5638 8.7737 8.7737 9.8849 9.8849 14.5615 14.5615 14.6763 14.6763 16.3020 16.3020 k = 0.1442 0.1442-0.0000 ( 2895 PWs) bands (ev): -16.0810 -16.0810 -8.5928 -8.5928 -8.4992 -8.4992 -8.0622 -8.0622 -6.3758 -6.3758 -6.3413 -6.3413 -4.7173 -4.7173 -3.5254 -3.5254 -3.2307 -3.2307 -2.6010 -2.6010 -0.6287 -0.6287 -0.5730 -0.5730 4.0170 4.0170 5.0571 5.0571 5.8377 5.8377 7.5049 7.5049 8.0479 8.0479 8.2544 8.2544 8.3520 8.3520 8.5753 8.5753 8.7638 8.7638 9.7513 9.7513 14.5037 14.5037 14.5973 14.5973 16.2613 16.2614 k = 0.1346 0.1346-0.0000 ( 2903 PWs) bands (ev): -16.0828 -16.0828 -8.5955 -8.5955 -8.5151 -8.5151 -8.0762 -8.0762 -6.3690 -6.3690 -6.3391 -6.3391 -4.7156 -4.7156 -3.4731 -3.4731 -3.2098 -3.2098 -2.6054 -2.6054 -0.6318 -0.6318 -0.5816 -0.5816 4.0958 4.0958 5.0588 5.0588 5.7713 5.7713 7.5293 7.5293 8.0772 8.0772 8.2640 8.2640 8.3494 8.3494 8.5856 8.5856 8.7548 8.7548 9.6222 9.6222 14.4475 14.4475 14.5225 14.5225 16.2193 16.2193 k = 0.1250 0.1250-0.0000 ( 2911 PWs) bands (ev): -16.0845 -16.0845 -8.5983 -8.5983 -8.5299 -8.5299 -8.0889 -8.0889 -6.3628 -6.3628 -6.3371 -6.3371 -4.7140 -4.7140 -3.4227 -3.4227 -3.1902 -3.1902 -2.6100 -2.6100 -0.6350 -0.6350 -0.5903 -0.5903 4.1710 4.1710 5.0633 5.0633 5.7101 5.7101 7.5519 7.5519 8.1062 8.1062 8.2731 8.2731 8.3472 8.3472 8.5947 8.5947 8.7468 8.7468 9.4983 9.4983 14.3931 14.3931 14.4521 14.4521 16.1759 16.1759 k = 0.1154 0.1154-0.0000 ( 2907 PWs) bands (ev): -16.0862 -16.0862 -8.6011 -8.6011 -8.5437 -8.5437 -8.1003 -8.1003 -6.3570 -6.3570 -6.3352 -6.3352 -4.7124 -4.7124 -3.3746 -3.3746 -3.1719 -3.1719 -2.6148 -2.6148 -0.6383 -0.6383 -0.5990 -0.5990 4.2413 4.2413 5.0714 5.0714 5.6542 5.6542 7.5721 7.5721 8.1345 8.1345 8.2817 8.2817 8.3453 8.3453 8.6025 8.6025 8.7399 8.7399 9.3804 9.3804 14.3408 14.3408 14.3863 14.3863 16.1314 16.1314 k = 0.1058 0.1058-0.0000 ( 2901 PWs) bands (ev): -16.0877 -16.0877 -8.6039 -8.6039 -8.5563 -8.5563 -8.1106 -8.1106 -6.3517 -6.3517 -6.3335 -6.3335 -4.7109 -4.7109 -3.3289 -3.3289 -3.1548 -3.1548 -2.6197 -2.6197 -0.6416 -0.6416 -0.6076 -0.6076 4.3051 4.3051 5.0840 5.0840 5.6039 5.6039 7.5891 7.5891 8.1620 8.1620 8.2898 8.2898 8.3437 8.3437 8.6090 8.6090 8.7340 8.7340 9.2696 9.2696 14.2909 14.2909 14.3251 14.3251 16.0861 16.0861 k = 0.0962 0.0962-0.0000 ( 2901 PWs) bands (ev): -16.0891 -16.0891 -8.6067 -8.6067 -8.5679 -8.5679 -8.1197 -8.1197 -6.3469 -6.3469 -6.3319 -6.3319 -4.7096 -4.7096 -3.2860 -3.2860 -3.1390 -3.1390 -2.6247 -2.6247 -0.6448 -0.6448 -0.6161 -0.6161 4.3610 4.3610 5.1019 5.1019 5.5591 5.5591 7.6023 7.6023 8.1884 8.1884 8.2973 8.2973 8.3424 8.3424 8.6140 8.6140 8.7293 8.7293 9.1669 9.1669 14.2437 14.2437 14.2688 14.2688 16.0407 16.0407 k = 0.0865 0.0865-0.0000 ( 2903 PWs) bands (ev): -16.0904 -16.0904 -8.6094 -8.6094 -8.5784 -8.5784 -8.1277 -8.1277 -6.3426 -6.3426 -6.3305 -6.3305 -4.7083 -4.7083 -3.2460 -3.2460 -3.1245 -3.1245 -2.6297 -2.6297 -0.6479 -0.6479 -0.6241 -0.6241 4.4080 4.4080 5.1257 5.1257 5.5198 5.5198 7.6111 7.6111 8.2134 8.2134 8.3041 8.3041 8.3414 8.3414 8.6174 8.6174 8.7256 8.7256 9.0733 9.0733 14.1996 14.1996 14.2174 14.2174 15.9957 15.9957 k = 0.0769 0.0769-0.0000 ( 2903 PWs) bands (ev): -16.0916 -16.0916 -8.6120 -8.6120 -8.5877 -8.5877 -8.1346 -8.1346 -6.3388 -6.3388 -6.3292 -6.3292 -4.7071 -4.7071 -3.2093 -3.2093 -3.1114 -3.1114 -2.6346 -2.6346 -0.6509 -0.6509 -0.6317 -0.6317 4.4455 4.4455 5.1551 5.1551 5.4859 5.4859 7.6152 7.6152 8.2368 8.2368 8.3103 8.3103 8.3406 8.3406 8.6191 8.6191 8.7231 8.7231 8.9900 8.9900 14.1589 14.1589 14.1711 14.1711 15.9522 15.9522 k = 0.0673 0.0673-0.0000 ( 2909 PWs) bands (ev): -16.0927 -16.0927 -8.6144 -8.6144 -8.5960 -8.5960 -8.1406 -8.1406 -6.3354 -6.3354 -6.3280 -6.3280 -4.7061 -4.7061 -3.1760 -3.1760 -3.0998 -3.0998 -2.6394 -2.6394 -0.6536 -0.6536 -0.6387 -0.6387 4.4739 4.4739 5.1892 5.1892 5.4571 5.4571 7.6146 7.6146 8.2582 8.2582 8.3158 8.3158 8.3400 8.3400 8.6191 8.6191 8.7214 8.7214 8.9178 8.9178 14.1219 14.1219 14.1300 14.1300 15.9112 15.9112 k = 0.0577 0.0577-0.0000 ( 2925 PWs) bands (ev): -16.0936 -16.0936 -8.6166 -8.6166 -8.6032 -8.6032 -8.1457 -8.1457 -6.3324 -6.3324 -6.3270 -6.3270 -4.7052 -4.7052 -3.1465 -3.1465 -3.0896 -3.0896 -2.6439 -2.6439 -0.6562 -0.6562 -0.6451 -0.6451 4.4942 4.4942 5.2260 5.2260 5.4332 5.4332 7.6095 7.6095 8.2773 8.2773 8.3204 8.3204 8.3398 8.3398 8.6171 8.6171 8.7206 8.7206 8.8576 8.8576 14.0891 14.0891 14.0941 14.0941 15.8735 15.8735 k = 0.0481 0.0481-0.0000 ( 2929 PWs) bands (ev): -16.0944 -16.0944 -8.6185 -8.6185 -8.6093 -8.6093 -8.1499 -8.1499 -6.3299 -6.3299 -6.3262 -6.3262 -4.7044 -4.7044 -3.1209 -3.1209 -3.0808 -3.0808 -2.6480 -2.6480 -0.6584 -0.6584 -0.6506 -0.6506 4.5078 4.5078 5.2633 5.2633 5.4136 5.4136 7.6010 7.6010 8.2939 8.2939 8.3241 8.3241 8.3400 8.3400 8.6134 8.6134 8.7203 8.7203 8.8096 8.8096 14.0607 14.0607 14.0636 14.0636 15.8400 15.8400 k = 0.0385 0.0385-0.0000 ( 2929 PWs) bands (ev): -16.0950 -16.0950 -8.6201 -8.6201 -8.6143 -8.6143 -8.1533 -8.1533 -6.3279 -6.3279 -6.3255 -6.3255 -4.7038 -4.7038 -3.0996 -3.0996 -3.0736 -3.0736 -2.6516 -2.6516 -0.6603 -0.6603 -0.6552 -0.6552 4.5165 4.5165 5.2984 5.2984 5.3982 5.3982 7.5903 7.5903 8.3076 8.3076 8.3269 8.3269 8.3407 8.3407 8.6080 8.6080 8.7203 8.7203 8.7736 8.7736 14.0369 14.0369 14.0386 14.0386 15.8116 15.8116 k = 0.0288 0.0288-0.0000 ( 2933 PWs) bands (ev): -16.0956 -16.0956 -8.6214 -8.6214 -8.6182 -8.6182 -8.1559 -8.1559 -6.3263 -6.3263 -6.3250 -6.3250 -4.7033 -4.7033 -3.0828 -3.0828 -3.0680 -3.0680 -2.6546 -2.6546 -0.6618 -0.6618 -0.6589 -0.6589 4.5217 4.5217 5.3288 5.3288 5.3866 5.3866 7.5793 7.5793 8.3181 8.3181 8.3287 8.3287 8.3420 8.3420 8.6017 8.6017 8.7206 8.7206 8.7485 8.7485 14.0182 14.0182 14.0190 14.0190 15.7888 15.7888 k = 0.0192 0.0192-0.0000 ( 2937 PWs) bands (ev): -16.0959 -16.0959 -8.6224 -8.6224 -8.6209 -8.6209 -8.1577 -8.1577 -6.3252 -6.3252 -6.3246 -6.3246 -4.7029 -4.7029 -3.0706 -3.0706 -3.0639 -3.0639 -2.6569 -2.6569 -0.6629 -0.6629 -0.6616 -0.6616 4.5246 4.5246 5.3523 5.3523 5.3785 5.3785 7.5698 7.5698 8.3253 8.3253 8.3298 8.3298 8.3437 8.3437 8.5959 8.5959 8.7209 8.7209 8.7326 8.7326 14.0047 14.0047 14.0050 14.0050 15.7722 15.7722 k = 0.0096 0.0096-0.0000 ( 2945 PWs) bands (ev): -16.0962 -16.0962 -8.6230 -8.6230 -8.6226 -8.6226 -8.1588 -8.1588 -6.3245 -6.3245 -6.3244 -6.3244 -4.7027 -4.7027 -3.0632 -3.0632 -3.0615 -3.0615 -2.6582 -2.6582 -0.6635 -0.6635 -0.6632 -0.6632 4.5259 4.5259 5.3671 5.3671 5.3737 5.3737 7.5633 7.5633 8.3292 8.3292 8.3303 8.3303 8.3453 8.3453 8.5917 8.5917 8.7211 8.7211 8.7239 8.7239 13.9965 13.9965 13.9965 13.9965 15.7621 15.7621 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -16.0962 -16.0962 -8.6231 -8.6231 -8.6231 -8.6231 -8.1591 -8.1591 -6.3243 -6.3243 -6.3243 -6.3243 -4.7026 -4.7026 -3.0607 -3.0607 -3.0607 -3.0607 -2.6587 -2.6587 -0.6638 -0.6638 -0.6638 -0.6638 4.5263 4.5263 5.3722 5.3722 5.3722 5.3722 7.5610 7.5610 8.3304 8.3304 8.3304 8.3304 8.3459 8.3459 8.5902 8.5902 8.7211 8.7211 8.7211 8.7211 13.9937 13.9937 13.9937 13.9937 15.7587 15.7587 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): -16.0962 -16.0962 -8.6231 -8.6231 -8.6231 -8.6231 -8.1591 -8.1591 -6.3243 -6.3243 -6.3243 -6.3243 -4.7026 -4.7026 -3.0607 -3.0607 -3.0607 -3.0607 -2.6587 -2.6587 -0.6638 -0.6638 -0.6638 -0.6638 4.5263 4.5263 5.3722 5.3722 5.3722 5.3722 7.5610 7.5610 8.3304 8.3304 8.3304 8.3304 8.3459 8.3459 8.5902 8.5902 8.7211 8.7211 8.7211 8.7211 13.9937 13.9937 13.9937 13.9937 15.7587 15.7587 k = 0.0078 0.0078 0.0078 ( 2945 PWs) bands (ev): -16.0962 -16.0962 -8.6228 -8.6228 -8.6228 -8.6228 -8.1588 -8.1588 -6.3245 -6.3245 -6.3244 -6.3244 -4.7027 -4.7027 -3.0624 -3.0624 -3.0622 -3.0622 -2.6583 -2.6583 -0.6636 -0.6636 -0.6632 -0.6632 4.5259 4.5259 5.3668 5.3668 5.3741 5.3741 7.5633 7.5633 8.3292 8.3292 8.3303 8.3303 8.3453 8.3453 8.5917 8.5917 8.7212 8.7212 8.7237 8.7237 13.9965 13.9965 13.9965 13.9965 15.7621 15.7621 k = 0.0156 0.0156 0.0156 ( 2939 PWs) bands (ev): -16.0959 -16.0959 -8.6217 -8.6217 -8.6216 -8.6216 -8.1577 -8.1577 -6.3250 -6.3250 -6.3248 -6.3248 -4.7029 -4.7029 -3.0676 -3.0676 -3.0668 -3.0668 -2.6569 -2.6569 -0.6629 -0.6629 -0.6616 -0.6616 4.5245 4.5245 5.3511 5.3511 5.3799 5.3799 7.5697 7.5697 8.3255 8.3255 8.3294 8.3294 8.3440 8.3440 8.5959 8.5959 8.7214 8.7214 8.7318 8.7318 14.0046 14.0046 14.0048 14.0048 15.7720 15.7720 k = 0.0234 0.0234 0.0234 ( 2933 PWs) bands (ev): -16.0956 -16.0956 -8.6199 -8.6199 -8.6198 -8.6198 -8.1559 -8.1559 -6.3259 -6.3259 -6.3254 -6.3254 -4.7033 -4.7033 -3.0762 -3.0762 -3.0743 -3.0743 -2.6546 -2.6546 -0.6619 -0.6619 -0.6588 -0.6588 4.5214 4.5214 5.3266 5.3266 5.3896 5.3896 7.5790 7.5790 8.3194 8.3194 8.3260 8.3260 8.3437 8.3437 8.6021 8.6021 8.7217 8.7217 8.7467 8.7467 14.0182 14.0182 14.0185 14.0185 15.7884 15.7884 k = 0.0312 0.0312 0.0312 ( 2933 PWs) bands (ev): -16.0951 -16.0951 -8.6173 -8.6173 -8.6172 -8.6172 -8.1534 -8.1534 -6.3272 -6.3272 -6.3262 -6.3262 -4.7038 -4.7038 -3.0880 -3.0880 -3.0848 -3.0848 -2.6516 -2.6516 -0.6606 -0.6606 -0.6551 -0.6551 4.5153 4.5153 5.2957 5.2957 5.4032 5.4032 7.5897 7.5897 8.3109 8.3109 8.3193 8.3193 8.3454 8.3454 8.6092 8.6092 8.7221 8.7221 8.7700 8.7700 14.0369 14.0369 14.0377 14.0377 15.8106 15.8106 k = 0.0391 0.0391 0.0391 ( 2933 PWs) bands (ev): -16.0944 -16.0944 -8.6140 -8.6140 -8.6138 -8.6138 -8.1502 -8.1502 -6.3288 -6.3288 -6.3273 -6.3273 -4.7044 -4.7044 -3.1030 -3.1030 -3.0983 -3.0983 -2.6480 -2.6480 -0.6589 -0.6589 -0.6503 -0.6503 4.5047 4.5047 5.2616 5.2616 5.4205 5.4205 7.5998 7.5998 8.3002 8.3002 8.3096 8.3096 8.3488 8.3488 8.6161 8.6161 8.7226 8.7226 8.8034 8.8034 14.0609 14.0609 14.0620 14.0620 15.8382 15.8382 k = 0.0469 0.0469 0.0469 ( 2921 PWs) bands (ev): -16.0936 -16.0936 -8.6100 -8.6100 -8.6097 -8.6097 -8.1462 -8.1462 -6.3307 -6.3307 -6.3286 -6.3286 -4.7052 -4.7052 -3.1209 -3.1209 -3.1145 -3.1145 -2.6438 -2.6438 -0.6569 -0.6569 -0.6446 -0.6446 4.4871 4.4871 5.2279 5.2279 5.4417 5.4417 7.6075 7.6075 8.2874 8.2874 8.2974 8.2974 8.3536 8.3536 8.6223 8.6223 8.7233 8.7233 8.8480 8.8480 14.0897 14.0897 14.0914 14.0914 15.8701 15.8701 k = 0.0547 0.0547 0.0547 ( 2915 PWs) bands (ev): -16.0927 -16.0927 -8.6052 -8.6052 -8.6048 -8.6048 -8.1415 -8.1415 -6.3330 -6.3330 -6.3302 -6.3302 -4.7061 -4.7061 -3.1416 -3.1416 -3.1335 -3.1335 -2.6392 -2.6392 -0.6547 -0.6547 -0.6381 -0.6381 4.4601 4.4601 5.1988 5.1988 5.4666 5.4666 7.6115 7.6115 8.2728 8.2728 8.2831 8.2831 8.3594 8.3594 8.6277 8.6277 8.7241 8.7241 8.9042 8.9042 14.1233 14.1233 14.1256 14.1256 15.9053 15.9053 k = 0.0625 0.0625 0.0625 ( 2915 PWs) bands (ev): -16.0916 -16.0916 -8.5997 -8.5997 -8.5992 -8.5992 -8.1360 -8.1360 -6.3356 -6.3356 -6.3320 -6.3320 -4.7071 -4.7071 -3.1649 -3.1649 -3.1552 -3.1552 -2.6344 -2.6344 -0.6523 -0.6523 -0.6309 -0.6309 4.4214 4.4214 5.1777 5.1777 5.4951 5.4951 7.6108 7.6108 8.2564 8.2564 8.2670 8.2670 8.3663 8.3663 8.6323 8.6323 8.7251 8.7251 8.9716 8.9716 14.1614 14.1614 14.1644 14.1644 15.9426 15.9426 k = 0.0703 0.0703 0.0703 ( 2915 PWs) bands (ev): -16.0904 -16.0904 -8.5935 -8.5935 -8.5928 -8.5928 -8.1298 -8.1298 -6.3386 -6.3386 -6.3341 -6.3341 -4.7083 -4.7083 -3.1907 -3.1907 -3.1794 -3.1794 -2.6294 -2.6294 -0.6499 -0.6499 -0.6230 -0.6230 4.3699 4.3699 5.1671 5.1671 5.5273 5.5273 7.6051 7.6051 8.2385 8.2385 8.2494 8.2494 8.3741 8.3741 8.6364 8.6364 8.7263 8.7263 9.0495 9.0495 14.2037 14.2037 14.2076 14.2076 15.9806 15.9806 k = 0.0781 0.0781 0.0781 ( 2915 PWs) bands (ev): -16.0891 -16.0891 -8.5866 -8.5866 -8.5857 -8.5857 -8.1228 -8.1228 -6.3419 -6.3419 -6.3364 -6.3364 -4.7096 -4.7096 -3.2187 -3.2187 -3.2060 -3.2060 -2.6243 -2.6243 -0.6474 -0.6474 -0.6146 -0.6146 4.3056 4.3056 5.1680 5.1680 5.5630 5.5630 7.5944 7.5944 8.2193 8.2193 8.2303 8.2303 8.3828 8.3828 8.6402 8.6402 8.7277 8.7277 9.1370 9.1370 14.2499 14.2499 14.2549 14.2549 16.0180 16.0180 k = 0.0859 0.0859 0.0859 ( 2912 PWs) bands (ev): -16.0877 -16.0877 -8.5789 -8.5789 -8.5779 -8.5779 -8.1149 -8.1149 -6.3455 -6.3455 -6.3390 -6.3390 -4.7109 -4.7109 -3.2490 -3.2490 -3.2349 -3.2349 -2.6192 -2.6192 -0.6449 -0.6449 -0.6058 -0.6058 4.2296 4.2296 5.1802 5.1802 5.6022 5.6022 7.5792 7.5792 8.1990 8.1990 8.2101 8.2101 8.3924 8.3924 8.6439 8.6439 8.7292 8.7292 9.2329 9.2329 14.2998 14.2998 14.3060 14.3060 16.0537 16.0537 k = 0.0938 0.0937 0.0937 ( 2906 PWs) bands (ev): -16.0862 -16.0862 -8.5705 -8.5705 -8.5693 -8.5693 -8.1063 -8.1063 -6.3495 -6.3495 -6.3418 -6.3418 -4.7124 -4.7124 -3.2811 -3.2811 -3.2660 -3.2660 -2.6142 -2.6142 -0.6426 -0.6426 -0.5968 -0.5968 4.1439 4.1439 5.2024 5.2024 5.6447 5.6447 7.5598 7.5598 8.1779 8.1779 8.1890 8.1890 8.4029 8.4029 8.6476 8.6476 8.7310 8.7310 9.3361 9.3361 14.3531 14.3531 14.3607 14.3607 16.0872 16.0872 k = 0.1016 0.1016 0.1016 ( 2906 PWs) bands (ev): -16.0845 -16.0845 -8.5614 -8.5614 -8.5599 -8.5599 -8.0968 -8.0968 -6.3538 -6.3538 -6.3450 -6.3450 -4.7140 -4.7140 -3.3152 -3.3152 -3.2992 -3.2992 -2.6095 -2.6095 -0.6404 -0.6404 -0.5876 -0.5876 4.0503 4.0503 5.2335 5.2335 5.6906 5.6906 7.5371 7.5371 8.1562 8.1562 8.1671 8.1671 8.4142 8.4142 8.6515 8.6515 8.7331 8.7331 9.4457 9.4457 14.4094 14.4094 14.4185 14.4185 16.1183 16.1183 k = 0.1094 0.1094 0.1094 ( 2912 PWs) bands (ev): -16.0828 -16.0828 -8.5515 -8.5515 -8.5499 -8.5499 -8.0865 -8.0865 -6.3584 -6.3584 -6.3483 -6.3483 -4.7157 -4.7157 -3.3510 -3.3510 -3.3342 -3.3342 -2.6049 -2.6049 -0.6385 -0.6385 -0.5784 -0.5784 3.9505 3.9505 5.2722 5.2722 5.7397 5.7397 7.5117 7.5117 8.1341 8.1341 8.1448 8.1448 8.4263 8.4263 8.6555 8.6555 8.7353 8.7353 9.5606 9.5606 14.4685 14.4685 14.4793 14.4793 16.1472 16.1472 k = 0.1172 0.1172 0.1172 ( 2908 PWs) bands (ev): -16.0809 -16.0809 -8.5409 -8.5409 -8.5390 -8.5390 -8.0753 -8.0753 -6.3634 -6.3634 -6.3520 -6.3520 -4.7175 -4.7175 -3.3883 -3.3883 -3.3711 -3.3711 -2.6007 -2.6007 -0.6369 -0.6369 -0.5693 -0.5693 3.8461 3.8461 5.3174 5.3174 5.7919 5.7919 7.4844 7.4844 8.1119 8.1119 8.1222 8.1222 8.4392 8.4392 8.6598 8.6598 8.7379 8.7379 9.6800 9.6800 14.5300 14.5300 14.5427 14.5427 16.1741 16.1741 k = 0.1250 0.1250 0.1250 ( 2914 PWs) bands (ev): -16.0790 -16.0790 -8.5296 -8.5296 -8.5275 -8.5275 -8.0632 -8.0632 -6.3686 -6.3686 -6.3559 -6.3559 -4.7194 -4.7194 -3.4271 -3.4271 -3.4095 -3.4095 -2.5968 -2.5968 -0.6356 -0.6356 -0.5605 -0.5605 3.7381 3.7381 5.3684 5.3684 5.8471 5.8471 7.4557 7.4557 8.0897 8.0897 8.0995 8.0995 8.4529 8.4529 8.6644 8.6644 8.7407 8.7407 9.8033 9.8033 14.5937 14.5937 14.6084 14.6084 16.1994 16.1994 k = 0.1328 0.1328 0.1328 ( 2902 PWs) bands (ev): -16.0770 -16.0770 -8.5175 -8.5175 -8.5152 -8.5152 -8.0502 -8.0502 -6.3742 -6.3742 -6.3601 -6.3601 -4.7214 -4.7214 -3.4672 -3.4672 -3.4495 -3.4495 -2.5934 -2.5934 -0.6348 -0.6348 -0.5520 -0.5520 3.6275 3.6275 5.4244 5.4244 5.9052 5.9052 7.4263 7.4263 8.0678 8.0678 8.0769 8.0769 8.4673 8.4673 8.6693 8.6693 8.7439 8.7439 9.9298 9.9298 14.6591 14.6591 14.6760 14.6760 16.2234 16.2234 k = 0.1406 0.1406 0.1406 ( 2905 PWs) bands (ev): -16.0749 -16.0749 -8.5047 -8.5047 -8.5021 -8.5021 -8.0363 -8.0363 -6.3801 -6.3801 -6.3646 -6.3646 -4.7234 -4.7234 -3.5085 -3.5085 -3.4908 -3.4908 -2.5904 -2.5904 -0.6344 -0.6344 -0.5442 -0.5442 3.5151 3.5151 5.4850 5.4850 5.9661 5.9661 7.3968 7.3968 8.0463 8.0463 8.0546 8.0546 8.4825 8.4825 8.6746 8.6746 8.7473 8.7473 10.0589 10.0589 14.7261 14.7261 14.7454 14.7454 16.2463 16.2463 k = 0.1484 0.1484 0.1484 ( 2899 PWs) bands (ev): -16.0727 -16.0727 -8.4912 -8.4912 -8.4883 -8.4883 -8.0215 -8.0215 -6.3863 -6.3863 -6.3694 -6.3694 -4.7256 -4.7256 -3.5509 -3.5509 -3.5334 -3.5334 -2.5878 -2.5878 -0.6346 -0.6346 -0.5370 -0.5370 3.4015 3.4015 5.5496 5.5496 6.0297 6.0297 7.3678 7.3678 8.0254 8.0254 8.0328 8.0328 8.4983 8.4983 8.6803 8.6803 8.7511 8.7511 10.1903 10.1903 14.7943 14.7943 14.8162 14.8162 16.2683 16.2683 k = 0.1562 0.1562 0.1562 ( 2899 PWs) bands (ev): -16.0705 -16.0705 -8.4770 -8.4770 -8.4738 -8.4738 -8.0057 -8.0057 -6.3928 -6.3928 -6.3745 -6.3745 -4.7278 -4.7278 -3.5942 -3.5942 -3.5771 -3.5771 -2.5858 -2.5858 -0.6353 -0.6353 -0.5305 -0.5305 3.2871 3.2871 5.6180 5.6180 6.0959 6.0959 7.3396 7.3396 8.0053 8.0053 8.0115 8.0115 8.5147 8.5147 8.6864 8.6864 8.7553 8.7553 10.3234 10.3234 14.8634 14.8634 14.8880 14.8880 16.2894 16.2894 k = 0.1641 0.1641 0.1641 ( 2905 PWs) bands (ev): -16.0682 -16.0682 -8.4620 -8.4620 -8.4586 -8.4586 -7.9890 -7.9890 -6.3997 -6.3997 -6.3799 -6.3799 -4.7301 -4.7301 -3.6385 -3.6385 -3.6218 -3.6218 -2.5844 -2.5844 -0.6366 -0.6366 -0.5250 -0.5250 3.1724 3.1724 5.6897 5.6897 6.1646 6.1646 7.3127 7.3127 7.9861 7.9861 7.9910 7.9910 8.5318 8.5318 8.6929 8.6929 8.7599 8.7599 10.4580 10.4580 14.9330 14.9330 14.9604 14.9604 16.3096 16.3096 k = 0.1719 0.1719 0.1719 ( 2905 PWs) bands (ev): -16.0659 -16.0659 -8.4464 -8.4464 -8.4426 -8.4426 -7.9714 -7.9714 -6.4070 -6.4070 -6.3856 -6.3856 -4.7325 -4.7325 -3.6834 -3.6834 -3.6673 -3.6673 -2.5835 -2.5835 -0.6385 -0.6385 -0.5205 -0.5205 3.0576 3.0576 5.7646 5.7646 6.2356 6.2356 7.2875 7.2875 7.9680 7.9680 7.9714 7.9714 8.5495 8.5495 8.6999 8.6999 8.7649 8.7649 10.5937 10.5937 15.0029 15.0029 15.0333 15.0333 16.3289 16.3289 k = 0.1797 0.1797 0.1797 ( 2893 PWs) bands (ev): -16.0636 -16.0636 -8.4300 -8.4300 -8.4259 -8.4259 -7.9528 -7.9528 -6.4145 -6.4145 -6.3917 -6.3917 -4.7350 -4.7350 -3.7290 -3.7290 -3.7136 -3.7136 -2.5832 -2.5832 -0.6411 -0.6411 -0.5171 -0.5171 2.9431 2.9431 5.8424 5.8424 6.3088 6.3088 7.2644 7.2644 7.9510 7.9510 7.9528 7.9528 8.5677 8.5677 8.7074 8.7074 8.7703 8.7703 10.7304 10.7304 15.0726 15.0726 15.1060 15.1060 16.3472 16.3472 k = 0.1875 0.1875 0.1875 ( 2893 PWs) bands (ev): -16.0612 -16.0612 -8.4129 -8.4129 -8.4085 -8.4085 -7.9333 -7.9333 -6.4225 -6.4225 -6.3981 -6.3981 -4.7375 -4.7375 -3.7751 -3.7751 -3.7606 -3.7606 -2.5835 -2.5835 -0.6442 -0.6442 -0.5149 -0.5149 2.8291 2.8291 5.9228 5.9228 6.3841 6.3841 7.2436 7.2436 7.9352 7.9352 7.9353 7.9353 8.5864 8.5864 8.7154 8.7154 8.7761 8.7761 10.8677 10.8677 15.1418 15.1418 15.1782 15.1782 16.3641 16.3641 k = 0.1953 0.1953 0.1953 ( 2899 PWs) bands (ev): -16.0588 -16.0588 -8.3951 -8.3951 -8.3904 -8.3904 -7.9129 -7.9129 -6.4308 -6.4308 -6.4049 -6.4049 -4.7402 -4.7402 -3.8217 -3.8217 -3.8080 -3.8080 -2.5844 -2.5844 -0.6481 -0.6481 -0.5140 -0.5140 2.7158 2.7158 6.0057 6.0057 6.4614 6.4614 7.2255 7.2255 7.9189 7.9189 7.9208 7.9208 8.6055 8.6055 8.7239 8.7239 8.7825 8.7825 11.0054 11.0054 15.2101 15.2101 15.2492 15.2492 16.3797 16.3797 k = 0.2031 0.2031 0.2031 ( 2890 PWs) bands (ev): -16.0563 -16.0563 -8.3765 -8.3765 -8.3716 -8.3716 -7.8915 -7.8915 -6.4394 -6.4394 -6.4120 -6.4120 -4.7429 -4.7429 -3.8685 -3.8685 -3.8558 -3.8558 -2.5860 -2.5860 -0.6525 -0.6525 -0.5144 -0.5144 2.6034 2.6034 6.0908 6.0908 6.5406 6.5406 7.2102 7.2102 7.9038 7.9038 7.9077 7.9077 8.6252 8.6252 8.7329 8.7329 8.7893 8.7893 11.1433 11.1433 15.2768 15.2768 15.3186 15.3186 16.3935 16.3935 k = 0.2109 0.2109 0.2109 ( 2890 PWs) bands (ev): -16.0539 -16.0539 -8.3573 -8.3573 -8.3521 -8.3521 -7.8692 -7.8692 -6.4485 -6.4485 -6.4196 -6.4196 -4.7457 -4.7457 -3.9157 -3.9157 -3.9039 -3.9039 -2.5881 -2.5881 -0.6576 -0.6576 -0.5161 -0.5161 2.4919 2.4919 6.1779 6.1779 6.6215 6.6215 7.1980 7.1980 7.8899 7.8899 7.8960 7.8960 8.6451 8.6451 8.7424 8.7424 8.7967 8.7967 11.2812 11.2812 15.3414 15.3414 15.3854 15.3854 16.4053 16.4053 k = 0.2188 0.2187 0.2187 ( 2890 PWs) bands (ev): -16.0515 -16.0515 -8.3374 -8.3374 -8.3319 -8.3319 -7.8460 -7.8460 -6.4579 -6.4579 -6.4275 -6.4275 -4.7486 -4.7486 -3.9629 -3.9629 -3.9522 -3.9522 -2.5908 -2.5908 -0.6633 -0.6633 -0.5193 -0.5193 2.3817 2.3817 6.2668 6.2668 6.7040 6.7040 7.1891 7.1891 7.8774 7.8774 7.8858 7.8858 8.6655 8.6655 8.7525 8.7525 8.8046 8.8046 11.4189 11.4189 15.4033 15.4033 15.4486 15.4486 16.4149 16.4149 k = 0.2266 0.2266 0.2266 ( 2893 PWs) bands (ev): -16.0490 -16.0490 -8.3169 -8.3169 -8.3110 -8.3110 -7.8220 -7.8220 -6.4678 -6.4678 -6.4358 -6.4358 -4.7516 -4.7516 -4.0102 -4.0102 -4.0006 -4.0006 -2.5941 -2.5941 -0.6696 -0.6696 -0.5238 -0.5238 2.2727 2.2727 6.3574 6.3574 6.7879 6.7879 7.1835 7.1835 7.8663 7.8663 7.8770 7.8770 8.6861 8.6861 8.7631 8.7631 8.8131 8.8131 11.5562 11.5562 15.4616 15.4616 15.5071 15.5071 16.4220 16.4220 k = 0.2344 0.2344 0.2344 ( 2890 PWs) bands (ev): -16.0466 -16.0466 -8.2956 -8.2956 -8.2894 -8.2894 -7.7971 -7.7971 -6.4781 -6.4781 -6.4446 -6.4446 -4.7546 -4.7546 -4.0574 -4.0574 -4.0490 -4.0490 -2.5979 -2.5979 -0.6765 -0.6765 -0.5297 -0.5297 2.1651 2.1651 6.4492 6.4492 6.8732 6.8732 7.1815 7.1815 7.8567 7.8567 7.8697 7.8697 8.7070 8.7070 8.7743 8.7743 8.8221 8.8221 11.6929 11.6929 15.5154 15.5154 15.5593 15.5593 16.4262 16.4262 k = 0.2422 0.2422 0.2422 ( 2902 PWs) bands (ev): -16.0442 -16.0442 -8.2737 -8.2737 -8.2672 -8.2672 -7.7714 -7.7714 -6.4888 -6.4888 -6.4538 -6.4538 -4.7578 -4.7578 -4.1045 -4.1045 -4.0972 -4.0972 -2.6023 -2.6023 -0.6840 -0.6840 -0.5370 -0.5370 2.0590 2.0590 6.5421 6.5421 6.9597 6.9597 7.1831 7.1831 7.8484 7.8484 7.8638 7.8638 8.7280 8.7280 8.7861 8.7861 8.8317 8.8317 11.8288 11.8288 15.5635 15.5635 15.6033 15.6033 16.4272 16.4272 k = 0.2500 0.2500 0.2500 ( 2905 PWs) bands (ev): -16.0418 -16.0418 -8.2512 -8.2512 -8.2443 -8.2443 -7.7449 -7.7449 -6.5000 -6.5000 -6.4635 -6.4635 -4.7611 -4.7611 -4.1514 -4.1514 -4.1452 -4.1452 -2.6072 -2.6072 -0.6920 -0.6920 -0.5456 -0.5456 1.9545 1.9545 6.6356 6.6356 7.0472 7.0472 7.1886 7.1886 7.8417 7.8417 7.8593 7.8593 8.7493 8.7493 8.7985 8.7985 8.8420 8.8420 11.9636 11.9636 15.6049 15.6049 15.6373 15.6373 16.4247 16.4247 k = 0.2578 0.2578 0.2578 ( 2893 PWs) bands (ev): -16.0394 -16.0394 -8.2280 -8.2280 -8.2208 -8.2208 -7.7177 -7.7177 -6.5117 -6.5117 -6.4736 -6.4736 -4.7644 -4.7644 -4.1980 -4.1980 -4.1929 -4.1929 -2.6126 -2.6126 -0.7004 -0.7004 -0.5554 -0.5554 1.8517 1.8517 6.7293 6.7293 7.1356 7.1356 7.1981 7.1981 7.8365 7.8365 7.8561 7.8561 8.7706 8.7706 8.8114 8.8114 8.8528 8.8528 12.0971 12.0971 15.6382 15.6382 15.6590 15.6590 16.4184 16.4184 k = 0.2656 0.2656 0.2656 ( 2899 PWs) bands (ev): -16.0371 -16.0371 -8.2042 -8.2042 -8.1967 -8.1967 -7.6898 -7.6898 -6.5239 -6.5239 -6.4843 -6.4843 -4.7679 -4.7679 -4.2441 -4.2441 -4.2401 -4.2401 -2.6184 -2.6184 -0.7093 -0.7093 -0.5665 -0.5665 1.7506 1.7506 6.8225 6.8225 7.2122 7.2122 7.2247 7.2247 7.8329 7.8329 7.8544 7.8544 8.7920 8.7920 8.8249 8.8249 8.8643 8.8643 12.2291 12.2291 15.6622 15.6622 15.6670 15.6670 16.4076 16.4076 k = 0.2734 0.2734 0.2734 ( 2911 PWs) bands (ev): -16.0348 -16.0348 -8.1797 -8.1797 -8.1720 -8.1720 -7.6613 -7.6613 -6.5365 -6.5365 -6.4955 -6.4955 -4.7714 -4.7714 -4.2898 -4.2898 -4.2869 -4.2869 -2.6246 -2.6246 -0.7186 -0.7186 -0.5786 -0.5786 1.6514 1.6514 6.9139 6.9139 7.2315 7.2315 7.3143 7.3143 7.8309 7.8309 7.8539 7.8539 8.8134 8.8134 8.8390 8.8390 8.8764 8.8764 12.3591 12.3591 15.6602 15.6602 15.6760 15.6760 16.3921 16.3921 k = 0.2812 0.2812 0.2812 ( 2911 PWs) bands (ev): -16.0325 -16.0325 -8.1547 -8.1547 -8.1466 -8.1466 -7.6322 -7.6322 -6.5497 -6.5497 -6.5072 -6.5072 -4.7751 -4.7751 -4.3349 -4.3349 -4.3330 -4.3330 -2.6312 -2.6312 -0.7283 -0.7283 -0.5918 -0.5918 1.5541 1.5541 7.0018 7.0018 7.2575 7.2575 7.4042 7.4042 7.8309 7.8309 7.8549 7.8549 8.8346 8.8346 8.8536 8.8536 8.8891 8.8891 12.4868 12.4868 15.6387 15.6387 15.6787 15.6787 16.3715 16.3715 k = 0.2891 0.2891 0.2891 ( 2911 PWs) bands (ev): -16.0303 -16.0303 -8.1291 -8.1291 -8.1208 -8.1208 -7.6026 -7.6026 -6.5634 -6.5634 -6.5195 -6.5195 -4.7788 -4.7788 -4.3794 -4.3794 -4.3784 -4.3784 -2.6381 -2.6381 -0.7382 -0.7382 -0.6059 -0.6059 1.4588 1.4588 7.0826 7.0826 7.2928 7.2928 7.4940 7.4940 7.8329 7.8329 7.8573 7.8573 8.8558 8.8558 8.8688 8.8688 8.9024 8.9024 12.6120 12.6120 15.6036 15.6036 15.6702 15.6702 16.3460 16.3460 k = 0.2969 0.2969 0.2969 ( 2917 PWs) bands (ev): -16.0281 -16.0281 -8.1030 -8.1030 -8.0943 -8.0943 -7.5727 -7.5727 -6.5776 -6.5776 -6.5323 -6.5323 -4.7826 -4.7826 -4.4231 -4.4231 -4.4231 -4.4231 -2.6453 -2.6453 -0.7484 -0.7484 -0.6208 -0.6208 1.3656 1.3656 7.1522 7.1522 7.3411 7.3411 7.5832 7.5832 7.8374 7.8374 7.8615 7.8615 8.8766 8.8766 8.8847 8.8847 8.9163 8.9163 12.7341 12.7341 15.5564 15.5564 15.6506 15.6506 16.3159 16.3159 k = 0.3047 0.3047 0.3047 ( 2920 PWs) bands (ev): -16.0260 -16.0260 -8.0763 -8.0763 -8.0674 -8.0674 -7.5423 -7.5423 -6.5924 -6.5924 -6.5458 -6.5458 -4.7865 -4.7865 -4.4668 -4.4668 -4.4660 -4.4660 -2.6528 -2.6528 -0.7588 -0.7588 -0.6365 -0.6365 1.2747 1.2747 7.2082 7.2082 7.4033 7.4033 7.6704 7.6704 7.8454 7.8454 7.8685 7.8685 8.8967 8.8967 8.9015 8.9015 8.9307 8.9307 12.8526 12.8526 15.4991 15.4991 15.6205 15.6205 16.2819 16.2819 k = 0.3125 0.3125 0.3125 ( 2923 PWs) bands (ev): -16.0240 -16.0240 -8.0492 -8.0492 -8.0399 -8.0399 -7.5118 -7.5118 -6.6078 -6.6078 -6.5598 -6.5598 -4.7904 -4.7904 -4.5096 -4.5096 -4.5080 -4.5080 -2.6604 -2.6604 -0.7694 -0.7694 -0.6527 -0.6527 1.1860 1.1860 7.2535 7.2535 7.4747 7.4747 7.7518 7.7518 7.8581 7.8581 7.8819 7.8819 8.9151 8.9151 8.9201 8.9201 8.9457 8.9457 12.9669 12.9669 15.4336 15.4336 15.5809 15.5809 16.2447 16.2447 k = 0.3203 0.3203 0.3203 ( 2929 PWs) bands (ev): -16.0220 -16.0220 -8.0215 -8.0215 -8.0120 -8.0120 -7.4811 -7.4811 -6.6237 -6.6237 -6.5745 -6.5745 -4.7945 -4.7945 -4.5513 -4.5513 -4.5490 -4.5490 -2.6682 -2.6682 -0.7800 -0.7800 -0.6693 -0.6693 1.0997 1.0997 7.2929 7.2929 7.5476 7.5476 7.8143 7.8143 7.8780 7.8780 7.9146 7.9146 8.9325 8.9325 8.9398 8.9398 8.9612 8.9612 13.0765 13.0765 15.3617 15.3617 15.5330 15.5330 16.2051 16.2051 k = 0.3281 0.3281 0.3281 ( 2917 PWs) bands (ev): -16.0200 -16.0200 -7.9934 -7.9934 -7.9837 -7.9837 -7.4504 -7.4504 -6.6403 -6.6403 -6.5898 -6.5898 -4.7985 -4.7985 -4.5919 -4.5919 -4.5890 -4.5890 -2.6761 -2.6761 -0.7907 -0.7907 -0.6863 -0.6863 1.0159 1.0159 7.3295 7.3295 7.6143 7.6143 7.8448 7.8448 7.9091 7.9091 7.9793 7.9793 8.9499 8.9499 8.9596 8.9596 8.9772 8.9772 13.1807 13.1807 15.2851 15.2851 15.4779 15.4779 16.1641 16.1641 k = 0.3359 0.3359 0.3359 ( 2917 PWs) bands (ev): -16.0182 -16.0182 -7.9649 -7.9649 -7.9549 -7.9549 -7.4197 -7.4197 -6.6573 -6.6573 -6.6058 -6.6058 -4.8027 -4.8027 -4.6313 -4.6313 -4.6278 -4.6278 -2.6841 -2.6841 -0.8013 -0.8013 -0.7035 -0.7035 0.9347 0.9347 7.3650 7.3650 7.6687 7.6687 7.8589 7.8589 7.9552 7.9552 8.0602 8.0602 8.9674 8.9674 8.9790 8.9790 8.9935 8.9935 13.2785 13.2785 15.2053 15.2053 15.4168 15.4168 16.1229 16.1229 k = 0.3438 0.3437 0.3437 ( 2917 PWs) bands (ev): -16.0164 -16.0164 -7.9360 -7.9360 -7.9258 -7.9258 -7.3892 -7.3892 -6.6750 -6.6750 -6.6224 -6.6224 -4.8068 -4.8068 -4.6693 -4.6693 -4.6654 -4.6654 -2.6920 -2.6920 -0.8119 -0.8119 -0.7208 -0.7208 0.8562 0.8562 7.4003 7.4003 7.7085 7.7085 7.8683 7.8683 8.0173 8.0173 8.1451 8.1451 8.9850 8.9850 8.9980 8.9980 9.0101 9.0101 13.3692 13.3692 15.1235 15.1235 15.3509 15.3509 16.0824 16.0824 k = 0.3516 0.3516 0.3516 ( 2911 PWs) bands (ev): -16.0146 -16.0146 -7.9068 -7.9068 -7.8964 -7.8964 -7.3591 -7.3591 -6.6932 -6.6932 -6.6397 -6.6397 -4.8110 -4.8110 -4.7060 -4.7060 -4.7017 -4.7017 -2.7000 -2.7000 -0.8224 -0.8224 -0.7381 -0.7381 0.7806 0.7806 7.4354 7.4354 7.7363 7.7363 7.8761 7.8761 8.0922 8.0922 8.2308 8.2308 9.0027 9.0027 9.0165 9.0165 9.0270 9.0270 13.4517 13.4517 15.0412 15.0412 15.2812 15.2812 16.0438 16.0438 k = 0.3594 0.3594 0.3594 ( 2908 PWs) bands (ev): -16.0130 -16.0130 -7.8773 -7.8773 -7.8668 -7.8668 -7.3293 -7.3293 -6.7120 -6.7120 -6.6576 -6.6576 -4.8152 -4.8152 -4.7412 -4.7412 -4.7366 -4.7366 -2.7078 -2.7078 -0.8326 -0.8326 -0.7553 -0.7553 0.7078 0.7078 7.4703 7.4703 7.7562 7.7562 7.8833 7.8833 8.1749 8.1749 8.3158 8.3158 9.0205 9.0205 9.0344 9.0344 9.0441 9.0441 13.5251 13.5251 14.9594 14.9594 15.2088 15.2088 16.0081 16.0081 k = 0.3672 0.3672 0.3672 ( 2911 PWs) bands (ev): -16.0114 -16.0114 -7.8476 -7.8476 -7.8369 -7.8369 -7.3002 -7.3002 -6.7312 -6.7312 -6.6761 -6.6761 -4.8196 -4.8196 -4.7749 -4.7749 -4.7699 -4.7699 -2.7156 -2.7156 -0.8427 -0.8427 -0.7721 -0.7721 0.6381 0.6381 7.5049 7.5049 7.7716 7.7716 7.8902 7.8902 8.2617 8.2617 8.3996 8.3996 9.0381 9.0381 9.0518 9.0518 9.0612 9.0612 13.5883 13.5883 14.8795 14.8795 15.1345 15.1345 15.9765 15.9765 k = 0.3750 0.3750 0.3750 ( 2917 PWs) bands (ev): -16.0099 -16.0099 -7.8177 -7.8177 -7.8069 -7.8069 -7.2718 -7.2718 -6.7510 -6.7510 -6.6952 -6.6952 -4.8245 -4.8245 -4.8069 -4.8069 -4.8011 -4.8011 -2.7231 -2.7231 -0.8524 -0.8524 -0.7887 -0.7887 0.5716 0.5716 7.5390 7.5390 7.7843 7.7843 7.8967 7.8967 8.3502 8.3502 8.4817 8.4817 9.0557 9.0557 9.0684 9.0684 9.0783 9.0783 13.6401 13.6401 14.8026 14.8026 15.0592 15.0592 15.9496 15.9496 k = 0.3828 0.3828 0.3828 ( 2923 PWs) bands (ev): -16.0085 -16.0085 -7.7877 -7.7877 -7.7769 -7.7769 -7.2443 -7.2443 -6.7712 -6.7712 -6.7149 -6.7149 -4.8374 -4.8374 -4.8366 -4.8366 -4.8235 -4.8235 -2.7305 -2.7305 -0.8619 -0.8619 -0.8048 -0.8048 0.5084 0.5084 7.5721 7.5721 7.7958 7.7958 7.9031 7.9031 8.4388 8.4388 8.5617 8.5617 9.0729 9.0729 9.0843 9.0843 9.0952 9.0952 13.6799 13.6799 14.7298 14.7298 14.9837 14.9837 15.9283 15.9283 k = 0.3906 0.3906 0.3906 ( 2923 PWs) bands (ev): -16.0072 -16.0072 -7.7577 -7.7577 -7.7469 -7.7469 -7.2178 -7.2178 -6.7917 -6.7917 -6.7351 -6.7351 -4.8661 -4.8661 -4.8630 -4.8630 -4.8297 -4.8297 -2.7376 -2.7376 -0.8709 -0.8709 -0.8203 -0.8203 0.4485 0.4485 7.6038 7.6038 7.8066 7.8066 7.9093 7.9093 8.5263 8.5263 8.6391 8.6391 9.0898 9.0898 9.0995 9.0995 9.1120 9.1120 13.7069 13.7069 14.6622 14.6622 14.9088 14.9088 15.9129 15.9129 k = 0.3984 0.3984 0.3984 ( 2923 PWs) bands (ev): -16.0059 -16.0059 -7.7277 -7.7277 -7.7170 -7.7170 -7.1925 -7.1925 -6.8125 -6.8125 -6.7557 -6.7557 -4.8930 -4.8930 -4.8897 -4.8897 -4.8339 -4.8339 -2.7444 -2.7444 -0.8796 -0.8796 -0.8351 -0.8351 0.3922 0.3922 7.6338 7.6338 7.8175 7.8175 7.9151 7.9151 8.6119 8.6119 8.7137 8.7137 9.1063 9.1063 9.1139 9.1139 9.1284 9.1284 13.7210 13.7210 14.6007 14.6007 14.8352 14.8352 15.9036 15.9036 k = 0.4062 0.4062 0.4062 ( 2917 PWs) bands (ev): -16.0048 -16.0048 -7.6979 -7.6979 -7.6874 -7.6874 -7.1687 -7.1687 -6.8334 -6.8334 -6.7766 -6.7766 -4.9181 -4.9181 -4.9150 -4.9150 -4.8377 -4.8377 -2.7509 -2.7509 -0.8877 -0.8877 -0.8493 -0.8493 0.3396 0.3396 7.6616 7.6616 7.8287 7.8287 7.9207 7.9207 8.6948 8.6948 8.7850 8.7850 9.1221 9.1221 9.1276 9.1276 9.1443 9.1443 13.7226 13.7226 14.5458 14.5458 14.7635 14.7635 15.9002 15.9002 k = 0.4141 0.4141 0.4141 ( 2923 PWs) bands (ev): -16.0037 -16.0037 -7.6684 -7.6684 -7.6582 -7.6582 -7.1466 -7.1466 -6.8542 -6.8542 -6.7978 -6.7978 -4.9414 -4.9414 -4.9384 -4.9384 -4.8412 -4.8412 -2.7571 -2.7571 -0.8954 -0.8954 -0.8626 -0.8626 0.2907 0.2907 7.6866 7.6866 7.8406 7.8406 7.9260 7.9260 8.7743 8.7743 8.8525 8.8525 9.1369 9.1369 9.1407 9.1407 9.1598 9.1598 13.7129 13.7129 14.4976 14.4976 14.6946 14.6946 15.9023 15.9023 k = 0.4219 0.4219 0.4219 ( 2917 PWs) bands (ev): -16.0027 -16.0027 -7.6393 -7.6393 -7.6296 -7.6296 -7.1263 -7.1263 -6.8748 -6.8748 -6.8190 -6.8190 -4.9627 -4.9627 -4.9601 -4.9601 -4.8445 -4.8445 -2.7628 -2.7628 -0.9025 -0.9025 -0.8751 -0.8751 0.2457 0.2457 7.7085 7.7085 7.8535 7.8535 7.9309 7.9309 8.8497 8.8497 8.9159 8.9159 9.1500 9.1500 9.1541 9.1541 9.1747 9.1747 13.6937 13.6937 14.4559 14.4559 14.6289 14.6289 15.9090 15.9090 k = 0.4297 0.4297 0.4297 ( 2917 PWs) bands (ev): -16.0018 -16.0018 -7.6109 -7.6109 -7.6017 -7.6017 -7.1083 -7.1083 -6.8946 -6.8946 -6.8401 -6.8401 -4.9821 -4.9821 -4.9798 -4.9798 -4.8476 -4.8476 -2.7681 -2.7681 -0.9091 -0.9091 -0.8866 -0.8866 0.2046 0.2046 7.7271 7.7271 7.8672 7.8672 7.9354 7.9354 8.9202 8.9202 8.9745 8.9745 9.1612 9.1612 9.1678 9.1678 9.1890 9.1890 13.6673 13.6673 14.4198 14.4198 14.5672 14.5672 15.9193 15.9193 k = 0.4375 0.4375 0.4375 ( 2920 PWs) bands (ev): -16.0010 -16.0010 -7.5834 -7.5834 -7.5749 -7.5749 -7.0930 -7.0930 -6.9133 -6.9133 -6.8609 -6.8609 -4.9995 -4.9995 -4.9976 -4.9976 -4.8504 -4.8504 -2.7729 -2.7729 -0.9150 -0.9150 -0.8970 -0.8970 0.1676 0.1676 7.7424 7.7424 7.8816 7.8816 7.9395 7.9395 8.9849 8.9849 9.0278 9.0278 9.1711 9.1711 9.1812 9.1812 9.2028 9.2028 13.6362 13.6362 14.3888 14.3888 14.5101 14.5101 15.9323 15.9323 k = 0.4453 0.4453 0.4453 ( 2926 PWs) bands (ev): -16.0003 -16.0003 -7.5570 -7.5570 -7.5495 -7.5495 -7.0808 -7.0808 -6.9301 -6.9301 -6.8810 -6.8810 -5.0150 -5.0150 -5.0134 -5.0134 -4.8529 -4.8529 -2.7773 -2.7773 -0.9203 -0.9203 -0.9064 -0.9064 0.1347 0.1347 7.7547 7.7547 7.8961 7.8961 7.9432 7.9432 9.0429 9.0429 9.0752 9.0752 9.1799 9.1799 9.1945 9.1945 9.2161 9.2161 13.6029 13.6029 14.3623 14.3623 14.4581 14.4581 15.9468 15.9468 k = 0.4531 0.4531 0.4531 ( 2920 PWs) bands (ev): -15.9997 -15.9997 -7.5321 -7.5321 -7.5257 -7.5257 -7.0726 -7.0726 -6.9441 -6.9441 -6.9000 -6.9000 -5.0284 -5.0284 -5.0272 -5.0272 -4.8552 -4.8552 -2.7811 -2.7811 -0.9250 -0.9250 -0.9147 -0.9147 0.1061 0.1061 7.7644 7.7644 7.9101 7.9101 7.9464 7.9464 9.0927 9.0927 9.1160 9.1160 9.1876 9.1876 9.2082 9.2082 9.2292 9.2292 13.5697 13.5697 14.3396 14.3396 14.4117 14.4117 15.9617 15.9617 k = 0.4609 0.4609 0.4609 ( 2914 PWs) bands (ev): -15.9992 -15.9992 -7.5093 -7.5093 -7.5041 -7.5041 -7.0687 -7.0687 -6.9544 -6.9544 -6.9176 -6.9176 -5.0397 -5.0397 -5.0389 -5.0389 -4.8571 -4.8571 -2.7844 -2.7844 -0.9289 -0.9289 -0.9217 -0.9217 0.0817 0.0817 7.7719 7.7719 7.9229 7.9229 7.9492 7.9492 9.1327 9.1327 9.1493 9.1493 9.1944 9.1944 9.2232 9.2232 9.2424 9.2424 13.5384 13.5384 14.3205 14.3205 14.3715 14.3715 15.9760 15.9760 k = 0.4688 0.4687 0.4687 ( 2908 PWs) bands (ev): -15.9987 -15.9987 -7.4890 -7.4890 -7.4852 -7.4852 -7.0691 -7.0691 -6.9607 -6.9607 -6.9333 -6.9333 -5.0491 -5.0491 -5.0485 -5.0485 -4.8587 -4.8587 -2.7871 -2.7871 -0.9322 -0.9322 -0.9276 -0.9276 0.0617 0.0617 7.7777 7.7777 7.9341 7.9341 7.9514 7.9514 9.1612 9.1612 9.1747 9.1747 9.2003 9.2003 9.2404 9.2404 9.2556 9.2556 13.5107 13.5107 14.3049 14.3049 14.3380 14.3380 15.9890 15.9890 k = 0.4766 0.4766 0.4766 ( 2908 PWs) bands (ev): -15.9984 -15.9984 -7.4720 -7.4720 -7.4696 -7.4696 -7.0725 -7.0725 -6.9637 -6.9637 -6.9463 -6.9463 -5.0563 -5.0563 -5.0560 -5.0560 -4.8600 -4.8600 -2.7892 -2.7892 -0.9348 -0.9348 -0.9322 -0.9322 0.0461 0.0461 7.7819 7.7819 7.9433 7.9433 7.9532 7.9532 9.1789 9.1789 9.1925 9.1925 9.2051 9.2051 9.2586 9.2586 9.2683 9.2683 13.4878 13.4878 14.2926 14.2926 14.3115 14.3115 15.9998 15.9998 k = 0.4844 0.4844 0.4844 ( 2878 PWs) bands (ev): -15.9982 -15.9982 -7.4591 -7.4591 -7.4579 -7.4579 -7.0769 -7.0769 -6.9646 -6.9646 -6.9562 -6.9562 -5.0615 -5.0615 -5.0613 -5.0613 -4.8609 -4.8609 -2.7907 -2.7907 -0.9366 -0.9366 -0.9354 -0.9354 0.0349 0.0349 7.7848 7.7848 7.9500 7.9500 7.9545 7.9545 9.1889 9.1889 9.2039 9.2039 9.2089 9.2089 9.2744 9.2744 9.2790 9.2790 13.4708 13.4708 14.2839 14.2839 14.2923 14.2923 16.0079 16.0079 k = 0.4922 0.4922 0.4922 ( 2872 PWs) bands (ev): -15.9980 -15.9980 -7.4509 -7.4509 -7.4506 -7.4506 -7.0804 -7.0804 -6.9646 -6.9646 -6.9624 -6.9624 -5.0646 -5.0646 -5.0646 -5.0646 -4.8615 -4.8615 -2.7917 -2.7917 -0.9377 -0.9377 -0.9374 -0.9374 0.0282 0.0282 7.7865 7.7865 7.9541 7.9541 7.9553 7.9553 9.1939 9.1939 9.2101 9.2101 9.2113 9.2113 9.2850 9.2850 9.2861 9.2861 13.4603 13.4603 14.2786 14.2786 14.2807 14.2807 16.0130 16.0130 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -15.9980 -15.9980 -7.4482 -7.4482 -7.4482 -7.4482 -7.0817 -7.0817 -6.9646 -6.9646 -6.9646 -6.9646 -5.0656 -5.0656 -5.0656 -5.0656 -4.8617 -4.8617 -2.7920 -2.7920 -0.9381 -0.9381 -0.9381 -0.9381 0.0260 0.0260 7.7871 7.7871 7.9555 7.9555 7.9555 7.9555 9.1954 9.1954 9.2121 9.2121 9.2121 9.2121 9.2886 9.2886 9.2886 9.2886 13.4567 13.4567 14.2768 14.2768 14.2768 14.2768 16.0147 16.0147 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -15.9980 -15.9980 -7.4482 -7.4482 -7.4482 -7.4482 -7.0817 -7.0817 -6.9646 -6.9646 -6.9646 -6.9646 -5.0656 -5.0656 -5.0656 -5.0656 -4.8617 -4.8617 -2.7920 -2.7920 -0.9381 -0.9381 -0.9381 -0.9381 0.0260 0.0260 7.7871 7.7871 7.9555 7.9555 7.9555 7.9555 9.1954 9.1954 9.2121 9.2121 9.2121 9.2121 9.2886 9.2886 9.2886 9.2886 13.4567 13.4567 14.2768 14.2768 14.2768 14.2768 16.0147 16.0147 k = 0.4904 0.5000 0.4904 ( 2872 PWs) bands (ev): -15.9980 -15.9980 -7.4521 -7.4521 -7.4495 -7.4495 -7.0804 -7.0804 -6.9647 -6.9647 -6.9624 -6.9624 -5.0651 -5.0651 -5.0641 -5.0641 -4.8615 -4.8615 -2.7917 -2.7917 -0.9377 -0.9377 -0.9374 -0.9374 0.0282 0.0282 7.7865 7.7865 7.9541 7.9541 7.9552 7.9552 9.1939 9.1939 9.2101 9.2101 9.2113 9.2113 9.2839 9.2839 9.2871 9.2871 13.4603 13.4603 14.2787 14.2787 14.2807 14.2807 16.0130 16.0130 k = 0.4808 0.5000 0.4808 ( 2880 PWs) bands (ev): -15.9982 -15.9982 -7.4637 -7.4637 -7.4534 -7.4534 -7.0769 -7.0769 -6.9650 -6.9650 -6.9558 -6.9558 -5.0634 -5.0634 -5.0593 -5.0593 -4.8609 -4.8609 -2.7907 -2.7907 -0.9366 -0.9366 -0.9354 -0.9354 0.0350 0.0350 7.7848 7.7848 7.9500 7.9500 7.9544 7.9544 9.1888 9.1888 9.2039 9.2039 9.2090 9.2090 9.2705 9.2705 9.2826 9.2826 13.4709 13.4709 14.2842 14.2842 14.2922 14.2922 16.0079 16.0079 k = 0.4712 0.5000 0.4712 ( 2904 PWs) bands (ev): -15.9984 -15.9984 -7.4818 -7.4818 -7.4600 -7.4600 -7.0723 -7.0723 -6.9655 -6.9655 -6.9448 -6.9448 -5.0607 -5.0607 -5.0514 -5.0514 -4.8600 -4.8600 -2.7892 -2.7892 -0.9347 -0.9347 -0.9321 -0.9321 0.0463 0.0463 7.7818 7.7818 7.9433 7.9433 7.9531 7.9531 9.1778 9.1778 9.1932 9.1932 9.2057 9.2057 9.2509 9.2509 9.2750 9.2750 13.4882 13.4882 14.2934 14.2934 14.3113 14.3113 15.9996 15.9996 k = 0.4615 0.5000 0.4615 ( 2916 PWs) bands (ev): -15.9987 -15.9987 -7.5052 -7.5052 -7.4690 -7.4690 -7.0676 -7.0676 -6.9663 -6.9663 -6.9295 -6.9295 -5.0569 -5.0569 -5.0404 -5.0404 -4.8587 -4.8587 -2.7870 -2.7870 -0.9321 -0.9321 -0.9275 -0.9275 0.0621 0.0621 7.7775 7.7775 7.9342 7.9342 7.9512 7.9512 9.1551 9.1551 9.1795 9.1795 9.2016 9.2016 9.2298 9.2298 9.2645 9.2645 13.5117 13.5117 14.3061 14.3061 14.3376 14.3376 15.9886 15.9886 k = 0.4519 0.5000 0.4519 ( 2916 PWs) bands (ev): -15.9992 -15.9992 -7.5326 -7.5326 -7.4806 -7.4806 -7.0635 -7.0635 -6.9672 -6.9672 -6.9106 -6.9106 -5.0522 -5.0522 -5.0262 -5.0262 -4.8571 -4.8571 -2.7843 -2.7843 -0.9288 -0.9288 -0.9216 -0.9216 0.0823 0.0823 7.7717 7.7717 7.9230 7.9230 7.9488 7.9488 9.1162 9.1162 9.1642 9.1642 9.1968 9.1968 9.2110 9.2110 9.2511 9.2511 13.5404 13.5404 14.3225 14.3225 14.3710 14.3710 15.9755 15.9755 k = 0.4423 0.5000 0.4423 ( 2920 PWs) bands (ev): -15.9997 -15.9997 -7.5630 -7.5630 -7.4945 -7.4945 -7.0603 -7.0603 -6.9683 -6.9683 -6.8888 -6.8888 -5.0465 -5.0465 -5.0090 -5.0090 -4.8551 -4.8551 -2.7810 -2.7810 -0.9247 -0.9247 -0.9145 -0.9145 0.1070 0.1070 7.7639 7.7639 7.9103 7.9103 7.9458 7.9458 9.0631 9.0631 9.1466 9.1466 9.1910 9.1910 9.1943 9.1943 9.2347 9.2347 13.5735 13.5735 14.3423 14.3423 14.4110 14.4110 15.9608 15.9608 k = 0.4327 0.5000 0.4327 ( 2916 PWs) bands (ev): -16.0003 -16.0003 -7.5955 -7.5955 -7.5106 -7.5106 -7.0579 -7.0579 -6.9694 -6.9694 -6.8650 -6.8650 -5.0400 -5.0400 -4.9886 -4.9886 -4.8529 -4.8529 -2.7771 -2.7771 -0.9200 -0.9200 -0.9063 -0.9063 0.1361 0.1361 7.7539 7.7539 7.8966 7.8966 7.9424 7.9424 8.9988 8.9988 9.1265 9.1265 9.1767 9.1767 9.1853 9.1853 9.2156 9.2156 13.6096 13.6096 14.3656 14.3656 14.4571 14.4571 15.9455 15.9455 k = 0.4231 0.5000 0.4231 ( 2932 PWs) bands (ev): -16.0010 -16.0010 -7.6296 -7.6296 -7.5289 -7.5289 -7.0562 -7.0562 -6.9707 -6.9707 -6.8399 -6.8399 -5.0327 -5.0327 -4.9652 -4.9652 -4.8503 -4.8503 -2.7728 -2.7728 -0.9146 -0.9146 -0.8969 -0.8969 0.1696 0.1696 7.7412 7.7412 7.8826 7.8826 7.9383 7.9383 8.9254 8.9254 9.1041 9.1041 9.1586 9.1586 9.1780 9.1780 9.1939 9.1939 13.6476 13.6476 14.3925 14.3925 14.5090 14.5090 15.9305 15.9305 k = 0.4135 0.5000 0.4135 ( 2928 PWs) bands (ev): -16.0018 -16.0018 -7.6648 -7.6648 -7.5492 -7.5492 -7.0550 -7.0550 -6.9721 -6.9721 -6.8142 -6.8142 -5.0247 -5.0247 -4.9388 -4.9388 -4.8475 -4.8475 -2.7679 -2.7679 -0.9084 -0.9084 -0.8865 -0.8865 0.2073 0.2073 7.7254 7.7254 7.8687 7.8687 7.9337 7.9337 8.8442 8.8442 9.0795 9.0795 9.1386 9.1386 9.1698 9.1698 9.1701 9.1701 13.6857 13.6857 14.4230 14.4230 14.5660 14.5660 15.9168 15.9168 k = 0.4038 0.5000 0.4038 ( 2928 PWs) bands (ev): -16.0027 -16.0027 -7.7007 -7.7007 -7.5713 -7.5713 -7.0542 -7.0542 -6.9735 -6.9735 -6.7883 -6.7883 -5.0162 -5.0162 -4.9096 -4.9096 -4.8444 -4.8444 -2.7625 -2.7625 -0.9017 -0.9017 -0.8751 -0.8751 0.2493 0.2493 7.7065 7.7065 7.8554 7.8554 7.9285 7.9285 8.7562 8.7562 9.0531 9.0531 9.1162 9.1162 9.1444 9.1444 9.1610 9.1610 13.7223 13.7223 14.4574 14.4574 14.6277 14.6277 15.9056 15.9056 k = 0.3942 0.5000 0.3942 ( 2924 PWs) bands (ev): -16.0037 -16.0037 -7.7369 -7.7369 -7.5952 -7.5952 -7.0537 -7.0537 -6.9749 -6.9749 -6.7625 -6.7625 -5.0071 -5.0071 -4.8774 -4.8774 -4.8410 -4.8410 -2.7568 -2.7568 -0.8943 -0.8943 -0.8628 -0.8628 0.2954 0.2954 7.6844 7.6844 7.8430 7.8430 7.9227 7.9227 8.6626 8.6626 9.0251 9.0251 9.0902 9.0902 9.1180 9.1180 9.1512 9.1512 13.7556 13.7556 14.4961 14.4961 14.6936 14.6936 15.8980 15.8980 k = 0.3846 0.5000 0.3846 ( 2930 PWs) bands (ev): -16.0047 -16.0047 -7.7734 -7.7734 -7.6205 -7.6205 -7.0534 -7.0534 -6.9763 -6.9763 -6.7372 -6.7372 -4.9976 -4.9976 -4.8430 -4.8430 -4.8370 -4.8370 -2.7506 -2.7506 -0.8863 -0.8863 -0.8497 -0.8497 0.3457 0.3457 7.6594 7.6594 7.8314 7.8314 7.9161 7.9161 8.5641 8.5641 8.9956 8.9956 9.0602 9.0602 9.0917 9.0917 9.1404 9.1404 13.7839 13.7839 14.5394 14.5394 14.7631 14.7631 15.8952 15.8952 k = 0.3750 0.5000 0.3750 ( 2938 PWs) bands (ev): -16.0058 -16.0058 -7.8099 -7.8099 -7.6473 -7.6473 -7.0533 -7.0533 -6.9776 -6.9776 -6.7125 -6.7125 -4.9878 -4.9878 -4.8341 -4.8341 -4.8047 -4.8047 -2.7440 -2.7440 -0.8777 -0.8777 -0.8358 -0.8358 0.3999 0.3999 7.6320 7.6320 7.8204 7.8204 7.9087 7.9087 8.4616 8.4616 8.9648 8.9648 9.0262 9.0262 9.0656 9.0656 9.1288 9.1288 13.8055 13.8055 14.5875 14.5875 14.8357 14.8357 15.8981 15.8981 k = 0.3654 0.5000 0.3654 ( 2938 PWs) bands (ev): -16.0070 -16.0070 -7.8463 -7.8463 -7.6752 -7.6752 -7.0533 -7.0533 -6.9789 -6.9789 -6.6885 -6.6885 -4.9778 -4.9778 -4.8302 -4.8302 -4.7645 -4.7645 -2.7371 -2.7371 -0.8686 -0.8686 -0.8214 -0.8214 0.4581 0.4581 7.6026 7.6026 7.8094 7.8094 7.9001 7.9001 8.3563 8.3563 8.9328 8.9328 8.9891 8.9891 9.0391 9.0391 9.1163 9.1163 13.8193 13.8193 14.6408 14.6408 14.9108 14.9108 15.9077 15.9077 k = 0.3558 0.5000 0.3558 ( 2938 PWs) bands (ev): -16.0083 -16.0083 -7.8824 -7.8824 -7.7042 -7.7042 -7.0534 -7.0534 -6.9801 -6.9801 -6.6654 -6.6654 -4.9675 -4.9675 -4.8263 -4.8263 -4.7219 -4.7219 -2.7299 -2.7299 -0.8589 -0.8589 -0.8064 -0.8064 0.5201 0.5201 7.5718 7.5718 7.7981 7.7981 7.8900 7.8900 8.2495 8.2495 8.8994 8.8994 8.9498 8.9498 9.0121 9.0121 9.1028 9.1028 13.8242 13.8242 14.6991 14.6991 14.9881 14.9881 15.9245 15.9245 k = 0.3462 0.5000 0.3462 ( 2930 PWs) bands (ev): -16.0096 -16.0096 -7.9181 -7.9181 -7.7342 -7.7342 -7.0535 -7.0535 -6.9812 -6.9812 -6.6432 -6.6432 -4.9572 -4.9572 -4.8223 -4.8223 -4.6769 -4.6769 -2.7225 -2.7225 -0.8488 -0.8488 -0.7911 -0.7911 0.5858 0.5858 7.5400 7.5400 7.7854 7.7854 7.8774 7.8774 8.1433 8.1433 8.8642 8.8642 8.9093 8.9093 8.9845 8.9845 9.0886 9.0886 13.8202 13.8202 14.7621 14.7621 15.0671 15.0671 15.9488 15.9488 k = 0.3365 0.5000 0.3365 ( 2922 PWs) bands (ev): -16.0110 -16.0110 -7.9534 -7.9534 -7.7648 -7.7648 -7.0537 -7.0537 -6.9822 -6.9822 -6.6219 -6.6219 -4.9469 -4.9469 -4.8182 -4.8182 -4.6297 -4.6297 -2.7148 -2.7148 -0.8381 -0.8381 -0.7754 -0.7754 0.6552 0.6552 7.5074 7.5074 7.7693 7.7693 7.8598 7.8598 8.0427 8.0427 8.8263 8.8263 8.8691 8.8691 8.9561 8.9561 9.0734 9.0734 13.8074 13.8074 14.8293 14.8293 15.1473 15.1473 15.9808 15.9808 k = 0.3269 0.5000 0.3269 ( 2922 PWs) bands (ev): -16.0125 -16.0125 -7.9881 -7.9881 -7.7961 -7.7961 -7.0537 -7.0537 -6.9831 -6.9831 -6.6016 -6.6016 -4.9366 -4.9366 -4.8141 -4.8141 -4.5804 -4.5804 -2.7070 -2.7070 -0.8270 -0.8270 -0.7595 -0.7595 0.7281 0.7281 7.4741 7.4741 7.7433 7.7433 7.8324 7.8324 7.9594 7.9594 8.7846 8.7846 8.8308 8.8308 8.9270 8.9270 9.0575 9.0575 13.7863 13.7863 14.9000 14.9000 15.2285 15.2285 16.0201 16.0201 k = 0.3173 0.5000 0.3173 ( 2916 PWs) bands (ev): -16.0140 -16.0140 -8.0222 -8.0222 -7.8278 -7.8278 -7.0537 -7.0537 -6.9839 -6.9839 -6.5823 -6.5823 -4.9265 -4.9265 -4.8100 -4.8100 -4.5293 -4.5293 -2.6990 -2.6990 -0.8155 -0.8155 -0.7436 -0.7436 0.8044 0.8044 7.4400 7.4400 7.6908 7.6908 7.7980 7.7980 7.9077 7.9077 8.7391 8.7391 8.7950 8.7950 8.8973 8.8973 9.0407 9.0407 13.7578 13.7578 14.9734 14.9734 15.3101 15.3101 16.0664 16.0664 k = 0.3077 0.5000 0.3077 ( 2916 PWs) bands (ev): -16.0155 -16.0155 -8.0557 -8.0557 -7.8598 -7.8598 -7.0536 -7.0536 -6.9846 -6.9846 -6.5639 -6.5639 -4.9164 -4.9164 -4.8059 -4.8059 -4.4764 -4.4764 -2.6910 -2.6910 -0.8036 -0.8036 -0.7276 -0.7276 0.8840 0.8840 7.4036 7.4036 7.6068 7.6068 7.7712 7.7712 7.8798 7.8798 8.6909 8.6909 8.7614 8.7614 8.8672 8.8672 9.0231 9.0231 13.7229 13.7229 15.0485 15.0485 15.3921 15.3921 16.1191 16.1191 k = 0.2981 0.5000 0.2981 ( 2912 PWs) bands (ev): -16.0171 -16.0171 -8.0884 -8.0884 -7.8921 -7.8921 -7.0534 -7.0534 -6.9852 -6.9852 -6.5465 -6.5465 -4.9066 -4.9066 -4.8019 -4.8019 -4.4219 -4.4219 -2.6828 -2.6828 -0.7914 -0.7914 -0.7118 -0.7118 0.9668 0.9668 7.3605 7.3605 7.5128 7.5128 7.7494 7.7494 7.8610 7.8610 8.6412 8.6412 8.7294 8.7294 8.8367 8.8367 9.0047 9.0047 13.6825 13.6825 15.1247 15.1247 15.4740 15.4740 16.1773 16.1773 k = 0.2885 0.5000 0.2885 ( 2920 PWs) bands (ev): -16.0187 -16.0187 -8.1204 -8.1204 -7.9243 -7.9243 -7.0530 -7.0530 -6.9856 -6.9856 -6.5301 -6.5301 -4.8970 -4.8970 -4.7979 -4.7979 -4.3661 -4.3661 -2.6746 -2.6746 -0.7789 -0.7789 -0.6962 -0.6962 1.0527 1.0527 7.2990 7.2990 7.4318 7.4318 7.7274 7.7274 7.8457 7.8457 8.5912 8.5912 8.6987 8.6987 8.8058 8.8058 8.9856 8.9856 13.6378 13.6378 15.2009 15.2009 15.5556 15.5556 16.2404 16.2404 k = 0.2788 0.5000 0.2788 ( 2908 PWs) bands (ev): -16.0204 -16.0204 -8.1516 -8.1516 -7.9566 -7.9566 -7.0524 -7.0524 -6.9860 -6.9860 -6.5145 -6.5145 -4.8876 -4.8876 -4.7940 -4.7940 -4.3091 -4.3091 -2.6665 -2.6665 -0.7661 -0.7661 -0.6809 -0.6809 1.1415 1.1415 7.2094 7.2094 7.3775 7.3775 7.7022 7.7022 7.8321 7.8321 8.5419 8.5419 8.6692 8.6692 8.7749 8.7749 8.9659 8.9659 13.5897 13.5897 15.2763 15.2763 15.6370 15.6370 16.3072 16.3072 k = 0.2692 0.5000 0.2692 ( 2908 PWs) bands (ev): -16.0221 -16.0221 -8.1819 -8.1819 -7.9886 -7.9886 -7.0517 -7.0517 -6.9863 -6.9863 -6.4998 -6.4998 -4.8785 -4.8785 -4.7902 -4.7902 -4.2510 -4.2510 -2.6583 -2.6583 -0.7530 -0.7530 -0.6660 -0.6660 1.2333 1.2333 7.1025 7.1025 7.3411 7.3411 7.6722 7.6722 7.8200 7.8200 8.4944 8.4944 8.6409 8.6409 8.7438 8.7438 8.9455 8.9455 13.5390 13.5390 15.3500 15.3500 15.7178 15.7178 16.3767 16.3767 k = 0.2596 0.5000 0.2596 ( 2908 PWs) bands (ev): -16.0238 -16.0238 -8.2114 -8.2114 -8.0204 -8.0204 -7.0507 -7.0507 -6.9865 -6.9865 -6.4859 -6.4859 -4.8697 -4.8697 -4.7865 -4.7865 -4.1921 -4.1921 -2.6503 -2.6503 -0.7398 -0.7398 -0.6515 -0.6515 1.3277 1.3277 6.9892 6.9892 7.3126 7.3126 7.6360 7.6360 7.8093 7.8093 8.4495 8.4495 8.6140 8.6140 8.7128 8.7128 8.9244 8.9244 13.4865 13.4865 15.4211 15.4211 15.7980 15.7980 16.4467 16.4467 k = 0.2500 0.5000 0.2500 ( 2892 PWs) bands (ev): -16.0255 -16.0255 -8.2399 -8.2399 -8.0517 -8.0517 -7.0495 -7.0495 -6.9866 -6.9866 -6.4729 -6.4729 -4.8613 -4.8613 -4.7829 -4.7829 -4.1325 -4.1325 -2.6423 -2.6423 -0.7265 -0.7265 -0.6377 -0.6377 1.4248 1.4248 6.8738 6.8738 7.2884 7.2884 7.5929 7.5929 7.7998 7.7998 8.4082 8.4082 8.5884 8.5884 8.6820 8.6820 8.9029 8.9029 13.4330 13.4330 15.4889 15.4889 15.8775 15.8775 16.4975 16.4975 k = 0.2404 0.5000 0.2404 ( 2896 PWs) bands (ev): -16.0273 -16.0273 -8.2676 -8.2676 -8.0826 -8.0826 -7.0481 -7.0481 -6.9867 -6.9867 -6.4606 -6.4606 -4.8532 -4.8532 -4.7794 -4.7794 -4.0725 -4.0725 -2.6345 -2.6345 -0.7130 -0.7130 -0.6244 -0.6244 1.5244 1.5244 6.7580 6.7580 7.2670 7.2670 7.5425 7.5425 7.7915 7.7915 8.3709 8.3709 8.5642 8.5642 8.6514 8.6514 8.8808 8.8808 13.3791 13.3791 15.5524 15.5524 15.9562 15.9562 16.4488 16.4488 k = 0.2308 0.5000 0.2308 ( 2896 PWs) bands (ev): -16.0290 -16.0290 -8.2943 -8.2943 -8.1129 -8.1129 -7.0465 -7.0465 -6.9867 -6.9867 -6.4490 -6.4490 -4.8454 -4.8454 -4.7761 -4.7761 -4.0123 -4.0123 -2.6268 -2.6268 -0.6995 -0.6995 -0.6118 -0.6118 1.6263 1.6263 6.6429 6.6429 7.2475 7.2475 7.4849 7.4849 7.7842 7.7842 8.3382 8.3382 8.5415 8.5415 8.6211 8.6211 8.8583 8.8583 13.3251 13.3251 15.6110 15.6110 16.0340 16.0340 16.3833 16.3833 k = 0.2212 0.5000 0.2212 ( 2904 PWs) bands (ev): -16.0307 -16.0307 -8.3200 -8.3200 -8.1426 -8.1426 -7.0447 -7.0447 -6.9866 -6.9866 -6.4382 -6.4382 -4.8380 -4.8380 -4.7729 -4.7729 -3.9520 -3.9520 -2.6194 -2.6194 -0.6861 -0.6861 -0.5999 -0.5999 1.7306 1.7306 6.5291 6.5291 7.2286 7.2286 7.4211 7.4211 7.7779 7.7779 8.3099 8.3099 8.5205 8.5205 8.5914 8.5914 8.8355 8.8355 13.2717 13.2717 15.6639 15.6639 16.1099 16.1099 16.3195 16.3195 k = 0.2115 0.5000 0.2115 ( 2900 PWs) bands (ev): -16.0324 -16.0324 -8.3447 -8.3447 -8.1715 -8.1715 -7.0426 -7.0426 -6.9865 -6.9865 -6.4280 -6.4280 -4.8309 -4.8309 -4.7699 -4.7699 -3.8919 -3.8919 -2.6121 -2.6121 -0.6726 -0.6726 -0.5888 -0.5888 1.8370 1.8370 6.4169 6.4169 7.2080 7.2080 7.3540 7.3540 7.7724 7.7724 8.2861 8.2861 8.5012 8.5012 8.5622 8.5622 8.8124 8.8124 13.2192 13.2192 15.7107 15.7107 16.1785 16.1785 16.2642 16.2642 k = 0.2019 0.5000 0.2019 ( 2900 PWs) bands (ev): -16.0341 -16.0341 -8.3684 -8.3684 -8.1996 -8.1996 -7.0403 -7.0403 -6.9864 -6.9864 -6.4184 -6.4184 -4.8242 -4.8242 -4.7671 -4.7671 -3.8321 -3.8321 -2.6051 -2.6051 -0.6593 -0.6593 -0.5783 -0.5783 1.9454 1.9454 6.3068 6.3068 7.1780 7.1780 7.2914 7.2914 7.7677 7.7677 8.2662 8.2662 8.4837 8.4837 8.5337 8.5337 8.7891 8.7891 13.1678 13.1678 15.7511 15.7511 16.1789 16.1789 16.2784 16.2784 k = 0.1923 0.5000 0.1923 ( 2896 PWs) bands (ev): -16.0358 -16.0358 -8.3911 -8.3911 -8.2268 -8.2268 -7.0379 -7.0379 -6.9863 -6.9863 -6.4095 -6.4095 -4.8179 -4.8179 -4.7644 -4.7644 -3.7730 -3.7730 -2.5984 -2.5984 -0.6462 -0.6462 -0.5687 -0.5687 2.0558 2.0558 6.1991 6.1991 7.1241 7.1241 7.2483 7.2483 7.7637 7.7637 8.2500 8.2500 8.4681 8.4681 8.5059 8.5059 8.7658 8.7658 13.1179 13.1179 15.7846 15.7846 16.1264 16.1264 16.3469 16.3469 k = 0.1827 0.5000 0.1827 ( 2900 PWs) bands (ev): -16.0375 -16.0375 -8.4128 -8.4128 -8.2531 -8.2531 -7.0353 -7.0353 -6.9861 -6.9861 -6.4012 -6.4012 -4.8119 -4.8119 -4.7619 -4.7619 -3.7147 -3.7147 -2.5920 -2.5920 -0.6333 -0.6333 -0.5598 -0.5598 2.1679 2.1679 6.0941 6.0941 7.0456 7.0456 7.2262 7.2262 7.7604 7.7604 8.2368 8.2368 8.4543 8.4543 8.4790 8.4790 8.7424 8.7424 13.0697 13.0697 15.8113 15.8113 16.0721 16.0721 16.4185 16.4185 k = 0.1731 0.5000 0.1731 ( 2900 PWs) bands (ev): -16.0391 -16.0391 -8.4334 -8.4334 -8.2783 -8.2783 -7.0325 -7.0325 -6.9859 -6.9859 -6.3934 -6.3934 -4.8063 -4.8063 -4.7596 -4.7596 -3.6574 -3.6574 -2.5858 -2.5858 -0.6206 -0.6206 -0.5517 -0.5517 2.2818 2.2818 5.9920 5.9920 6.9536 6.9536 7.2141 7.2141 7.7577 7.7577 8.2263 8.2263 8.4424 8.4424 8.4530 8.4530 8.7192 8.7192 13.0233 13.0233 15.8309 15.8309 16.0198 16.0198 16.4893 16.4893 k = 0.1635 0.5000 0.1635 ( 2906 PWs) bands (ev): -16.0406 -16.0406 -8.4529 -8.4529 -8.3025 -8.3025 -7.0297 -7.0297 -6.9857 -6.9857 -6.3861 -6.3861 -4.8010 -4.8010 -4.7574 -4.7574 -3.6013 -3.6013 -2.5800 -2.5800 -0.6083 -0.6083 -0.5443 -0.5443 2.3971 2.3971 5.8931 5.8931 6.8543 6.8543 7.2066 7.2066 7.7555 7.7555 8.2180 8.2180 8.4277 8.4277 8.4328 8.4328 8.6962 8.6962 12.9788 12.9788 15.8432 15.8432 15.9708 15.9708 16.5583 16.5583 k = 0.1538 0.5000 0.1538 ( 2906 PWs) bands (ev): -16.0421 -16.0421 -8.4714 -8.4714 -8.3256 -8.3256 -7.0267 -7.0267 -6.9855 -6.9855 -6.3794 -6.3794 -4.7961 -4.7961 -4.7554 -4.7554 -3.5468 -3.5468 -2.5745 -2.5745 -0.5963 -0.5963 -0.5376 -0.5376 2.5140 2.5140 5.7977 5.7977 6.7499 6.7499 7.2016 7.2016 7.7540 7.7540 8.2116 8.2116 8.4039 8.4039 8.4245 8.4245 8.6735 8.6735 12.9365 12.9365 15.8470 15.8470 15.9267 15.9267 16.6250 16.6250 k = 0.1442 0.5000 0.1442 ( 2906 PWs) bands (ev): -16.0436 -16.0436 -8.4888 -8.4888 -8.3475 -8.3475 -7.0237 -7.0237 -6.9852 -6.9852 -6.3732 -6.3732 -4.7916 -4.7916 -4.7536 -4.7536 -3.4940 -3.4940 -2.5693 -2.5693 -0.5848 -0.5848 -0.5316 -0.5316 2.6320 2.6320 5.7059 5.7059 6.6417 6.6417 7.1984 7.1984 7.7530 7.7530 8.2067 8.2067 8.3812 8.3812 8.4182 8.4182 8.6514 8.6514 12.8965 12.8965 15.8383 15.8383 15.8920 15.8920 16.6889 16.6889 k = 0.1346 0.5000 0.1346 ( 2906 PWs) bands (ev): -16.0450 -16.0450 -8.5051 -8.5051 -8.3682 -8.3682 -7.0206 -7.0206 -6.9850 -6.9850 -6.3675 -6.3675 -4.7873 -4.7873 -4.7519 -4.7519 -3.4431 -3.4431 -2.5644 -2.5644 -0.5738 -0.5738 -0.5262 -0.5262 2.7512 2.7512 5.6180 5.6180 6.5308 6.5308 7.1964 7.1964 7.7525 7.7525 8.2030 8.2030 8.3597 8.3597 8.4135 8.4135 8.6299 8.6299 12.8587 12.8587 15.8129 15.8129 15.8713 15.8713 16.7498 16.7498 k = 0.1250 0.5000 0.1250 ( 2914 PWs) bands (ev): -16.0463 -16.0463 -8.5203 -8.5203 -8.3876 -8.3876 -7.0176 -7.0176 -6.9848 -6.9848 -6.3622 -6.3622 -4.7835 -4.7835 -4.7504 -4.7504 -3.3945 -3.3945 -2.5600 -2.5600 -0.5633 -0.5633 -0.5214 -0.5214 2.8714 2.8714 5.5342 5.5342 6.4176 6.4176 7.1954 7.1954 7.7524 7.7524 8.2003 8.2003 8.3395 8.3395 8.4104 8.4104 8.6093 8.6093 12.8233 12.8233 15.7791 15.7791 15.8567 15.8567 16.8070 16.8070 k = 0.1154 0.5000 0.1154 ( 2910 PWs) bands (ev): -16.0475 -16.0475 -8.5344 -8.5344 -8.4058 -8.4058 -7.0146 -7.0146 -6.9846 -6.9846 -6.3574 -6.3574 -4.7799 -4.7799 -4.7490 -4.7490 -3.3483 -3.3483 -2.5558 -2.5558 -0.5535 -0.5535 -0.5171 -0.5171 2.9923 2.9923 5.4545 5.4545 6.3029 6.3029 7.1949 7.1949 7.7528 7.7528 8.1984 8.1984 8.3206 8.3206 8.4086 8.4086 8.5897 8.5897 12.7904 12.7904 15.7447 15.7447 15.8412 15.8412 16.7903 16.7903 k = 0.1058 0.5000 0.1058 ( 2910 PWs) bands (ev): -16.0487 -16.0487 -8.5474 -8.5474 -8.4226 -8.4226 -7.0117 -7.0117 -6.9844 -6.9844 -6.3530 -6.3530 -4.7766 -4.7766 -4.7477 -4.7477 -3.3047 -3.3047 -2.5520 -2.5520 -0.5443 -0.5443 -0.5133 -0.5133 3.1138 3.1138 5.3790 5.3790 6.1875 6.1875 7.1950 7.1950 7.7535 7.7535 8.1971 8.1971 8.3033 8.3033 8.4078 8.4078 8.5713 8.5713 12.7599 12.7599 15.7119 15.7119 15.8230 15.8230 16.7389 16.7389 k = 0.0962 0.5000 0.0962 ( 2904 PWs) bands (ev): -16.0498 -16.0498 -8.5593 -8.5593 -8.4380 -8.4380 -7.0089 -7.0089 -6.9842 -6.9842 -6.3490 -6.3490 -4.7737 -4.7737 -4.7466 -4.7466 -3.2641 -3.2641 -2.5486 -2.5486 -0.5359 -0.5359 -0.5099 -0.5099 3.2356 3.2356 5.3077 5.3077 6.0719 6.0719 7.1953 7.1953 7.7546 7.7546 8.1961 8.1961 8.2874 8.2874 8.4077 8.4077 8.5544 8.5544 12.7319 12.7319 15.6815 15.6815 15.8023 15.8023 16.6921 16.6921 k = 0.0865 0.5000 0.0865 ( 2896 PWs) bands (ev): -16.0508 -16.0508 -8.5701 -8.5701 -8.4521 -8.4521 -7.0062 -7.0062 -6.9840 -6.9840 -6.3455 -6.3455 -4.7710 -4.7710 -4.7457 -4.7457 -3.2265 -3.2265 -2.5455 -2.5455 -0.5284 -0.5284 -0.5067 -0.5067 3.3574 3.3574 5.2405 5.2405 5.9573 5.9573 7.1959 7.1959 7.7559 7.7559 8.1953 8.1953 8.2733 8.2733 8.4081 8.4081 8.5393 8.5393 12.7065 12.7065 15.6539 15.6539 15.7796 15.7796 16.6502 16.6502 k = 0.0769 0.5000 0.0769 ( 2892 PWs) bands (ev): -16.0517 -16.0517 -8.5797 -8.5797 -8.4647 -8.4647 -7.0037 -7.0037 -6.9838 -6.9838 -6.3423 -6.3423 -4.7687 -4.7687 -4.7448 -4.7448 -3.1923 -3.1923 -2.5428 -2.5428 -0.5218 -0.5218 -0.5037 -0.5037 3.4786 3.4786 5.1770 5.1770 5.8446 5.8446 7.1966 7.1966 7.7574 7.7574 8.1945 8.1945 8.2609 8.2609 8.4084 8.4084 8.5262 8.5262 12.6837 12.6837 15.6290 15.6290 15.7557 15.7557 16.6134 16.6134 k = 0.0673 0.5000 0.0673 ( 2896 PWs) bands (ev): -16.0525 -16.0525 -8.5882 -8.5882 -8.4760 -8.4760 -7.0015 -7.0015 -6.9837 -6.9837 -6.3396 -6.3396 -4.7666 -4.7666 -4.7441 -4.7441 -3.1616 -3.1616 -2.5403 -2.5403 -0.5164 -0.5164 -0.5008 -0.5008 3.5989 3.5989 5.1167 5.1167 5.7354 5.7354 7.1972 7.1972 7.7589 7.7589 8.1936 8.1936 8.2503 8.2503 8.4084 8.4084 8.5152 8.5152 12.6635 12.6635 15.6069 15.6069 15.7318 15.7318 16.5817 16.5817 k = 0.0577 0.5000 0.0577 ( 2892 PWs) bands (ev): -16.0532 -16.0532 -8.5956 -8.5956 -8.4857 -8.4857 -6.9994 -6.9994 -6.9836 -6.9836 -6.3372 -6.3372 -4.7649 -4.7649 -4.7435 -4.7435 -3.1345 -3.1345 -2.5383 -2.5383 -0.5122 -0.5122 -0.4977 -0.4977 3.7173 3.7173 5.0585 5.0585 5.6318 5.6318 7.1979 7.1979 7.7605 7.7605 8.1923 8.1923 8.2417 8.2417 8.4078 8.4078 8.5067 8.5067 12.6459 12.6459 15.5878 15.5878 15.7087 15.7087 16.5549 16.5549 k = 0.0481 0.5000 0.0481 ( 2896 PWs) bands (ev): -16.0538 -16.0538 -8.6019 -8.6019 -8.4940 -8.4940 -6.9976 -6.9976 -6.9835 -6.9835 -6.3352 -6.3352 -4.7634 -4.7634 -4.7430 -4.7430 -3.1113 -3.1113 -2.5365 -2.5365 -0.5090 -0.5090 -0.4947 -0.4947 3.8326 3.8326 5.0014 5.0014 5.5364 5.5364 7.1985 7.1985 7.7620 7.7620 8.1907 8.1907 8.2350 8.2350 8.4065 8.4065 8.5005 8.5005 12.6310 12.6310 15.5716 15.5716 15.6873 15.6873 16.5329 16.5329 k = 0.0385 0.5000 0.0385 ( 2892 PWs) bands (ev): -16.0543 -16.0543 -8.6070 -8.6070 -8.5008 -8.5008 -6.9961 -6.9961 -6.9834 -6.9834 -6.3336 -6.3336 -4.7622 -4.7622 -4.7425 -4.7425 -3.0922 -3.0922 -2.5351 -2.5351 -0.5069 -0.5069 -0.4919 -0.4919 3.9429 3.9429 4.9443 4.9443 5.4525 5.4525 7.1990 7.1990 7.7634 7.7634 8.1889 8.1889 8.2301 8.2301 8.4047 8.4047 8.4964 8.4964 12.6188 12.6188 15.5583 15.5583 15.6686 15.6686 16.5152 16.5152 k = 0.0288 0.5000 0.0288 ( 2892 PWs) bands (ev): -16.0547 -16.0547 -8.6110 -8.6110 -8.5061 -8.5061 -6.9950 -6.9950 -6.9834 -6.9834 -6.3323 -6.3323 -4.7612 -4.7612 -4.7422 -4.7422 -3.0771 -3.0771 -2.5340 -2.5340 -0.5054 -0.5054 -0.4894 -0.4894 4.0448 4.0448 4.8870 4.8870 5.3838 5.3838 7.1994 7.1994 7.7645 7.7645 8.1869 8.1869 8.2269 8.2269 8.4026 8.4026 8.4939 8.4939 12.6093 12.6093 15.5479 15.5479 15.6533 15.6533 16.5018 16.5018 k = 0.0192 0.5000 0.0192 ( 2892 PWs) bands (ev): -16.0550 -16.0550 -8.6138 -8.6138 -8.5099 -8.5099 -6.9941 -6.9941 -6.9833 -6.9833 -6.3314 -6.3314 -4.7606 -4.7606 -4.7420 -4.7420 -3.0663 -3.0663 -2.5332 -2.5332 -0.5044 -0.5044 -0.4876 -0.4876 4.1323 4.1323 4.8327 4.8327 5.3332 5.3332 7.1997 7.1997 7.7654 7.7654 8.1853 8.1853 8.2248 8.2248 8.4008 8.4008 8.4925 8.4925 12.6025 12.6025 15.5405 15.5405 15.6419 15.6419 16.4923 16.4923 k = 0.0096 0.5000 0.0096 ( 2892 PWs) bands (ev): -16.0551 -16.0551 -8.6155 -8.6155 -8.5122 -8.5122 -6.9936 -6.9936 -6.9833 -6.9833 -6.3309 -6.3309 -4.7602 -4.7602 -4.7419 -4.7419 -3.0598 -3.0598 -2.5328 -2.5328 -0.5039 -0.5039 -0.4865 -0.4865 4.1950 4.1950 4.7903 4.7903 5.3025 5.3025 7.1999 7.1999 7.7659 7.7659 8.1842 8.1842 8.2237 8.2237 8.3996 8.3996 8.4918 8.4918 12.5984 12.5984 15.5361 15.5361 15.6349 15.6349 16.4867 16.4867 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): -16.0552 -16.0552 -8.6161 -8.6161 -8.5129 -8.5129 -6.9934 -6.9934 -6.9833 -6.9833 -6.3307 -6.3307 -4.7600 -4.7600 -4.7418 -4.7418 -3.0576 -3.0576 -2.5326 -2.5326 -0.5037 -0.5037 -0.4861 -0.4861 4.2185 4.2185 4.7736 4.7736 5.2923 5.2923 7.2000 7.2000 7.7661 7.7661 8.1838 8.1838 8.2234 8.2234 8.3992 8.3992 8.4916 8.4916 12.5971 12.5971 15.5346 15.5346 15.6325 15.6325 16.4849 16.4849 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -16.0243 -16.0243 -8.5468 -8.5468 -7.4373 -7.4373 -7.1201 -7.1201 -7.0604 -7.0604 -6.5893 -6.5893 -5.0444 -5.0444 -4.7646 -4.7646 -4.1984 -4.1984 -2.6161 -2.6161 -0.7266 -0.7266 -0.5377 -0.5377 2.1995 2.1995 5.4095 5.4095 6.9001 6.9001 7.9387 7.9387 7.9652 7.9652 8.1001 8.1001 8.1289 8.1289 9.1507 9.1507 9.2744 9.2744 14.3960 14.3960 16.1870 16.1870 16.1987 16.1987 16.3848 16.3848 k = 0.5000 0.5000 0.0135 ( 2872 PWs) bands (ev): -16.0242 -16.0242 -8.5456 -8.5456 -7.4373 -7.4373 -7.1200 -7.1200 -7.0602 -7.0602 -6.5895 -6.5895 -5.0445 -5.0445 -4.7648 -4.7648 -4.1995 -4.1995 -2.6165 -2.6165 -0.7270 -0.7270 -0.5385 -0.5385 2.1912 2.1912 5.4202 5.4202 6.9020 6.9020 7.9376 7.9376 7.9620 7.9620 8.1048 8.1048 8.1317 8.1317 9.1508 9.1508 9.2744 9.2744 14.3959 14.3959 16.1782 16.1782 16.1972 16.1972 16.3866 16.3866 k = 0.5000 0.5000 0.0270 ( 2904 PWs) bands (ev): -16.0241 -16.0241 -8.5420 -8.5420 -7.4374 -7.4374 -7.1196 -7.1196 -7.0597 -7.0597 -6.5902 -6.5902 -5.0446 -5.0446 -4.7653 -4.7653 -4.2030 -4.2030 -2.6174 -2.6174 -0.7282 -0.7282 -0.5409 -0.5409 2.1666 2.1666 5.4520 5.4520 6.9075 6.9075 7.9347 7.9347 7.9536 7.9536 8.1178 8.1178 8.1398 8.1398 9.1511 9.1511 9.2744 9.2744 14.3958 14.3958 16.1535 16.1535 16.1913 16.1913 16.3920 16.3920 k = 0.5000 0.5000 0.0405 ( 2904 PWs) bands (ev): -16.0239 -16.0239 -8.5358 -8.5358 -7.4375 -7.4375 -7.1190 -7.1190 -7.0589 -7.0589 -6.5914 -6.5914 -5.0448 -5.0448 -4.7661 -4.7661 -4.2088 -4.2088 -2.6191 -2.6191 -0.7301 -0.7301 -0.5448 -0.5448 2.1269 2.1269 5.5037 5.5037 6.9166 6.9166 7.9303 7.9303 7.9422 7.9422 8.1370 8.1370 8.1527 8.1527 9.1516 9.1516 9.2745 9.2745 14.3956 14.3956 16.1149 16.1149 16.1809 16.1809 16.4009 16.4009 k = 0.5000 0.5000 0.0541 ( 2912 PWs) bands (ev): -16.0235 -16.0235 -8.5273 -8.5273 -7.4376 -7.4376 -7.1182 -7.1182 -7.0578 -7.0578 -6.5931 -6.5931 -5.0450 -5.0450 -4.7672 -4.7672 -4.2169 -4.2169 -2.6213 -2.6213 -0.7328 -0.7328 -0.5503 -0.5503 2.0736 2.0736 5.5738 5.5738 6.9293 6.9293 7.9252 7.9252 7.9296 7.9296 8.1604 8.1604 8.1698 8.1698 9.1522 9.1522 9.2747 9.2747 14.3953 14.3953 16.0640 16.0640 16.1665 16.1665 16.4134 16.4134 k = 0.5000 0.5000 0.0676 ( 2912 PWs) bands (ev): -16.0231 -16.0231 -8.5163 -8.5163 -7.4378 -7.4378 -7.1171 -7.1171 -7.0563 -7.0563 -6.5953 -6.5953 -5.0453 -5.0453 -4.7687 -4.7687 -4.2273 -4.2273 -2.6242 -2.6242 -0.7362 -0.7362 -0.5573 -0.5573 2.0087 2.0087 5.6602 5.6602 6.9454 6.9454 7.9168 7.9168 7.9199 7.9199 8.1869 8.1869 8.1904 8.1904 9.1531 9.1531 9.2749 9.2749 14.3946 14.3946 16.0028 16.0028 16.1485 16.1485 16.4290 16.4290 k = 0.5000 0.5000 0.0811 ( 2912 PWs) bands (ev): -16.0226 -16.0226 -8.5029 -8.5029 -7.4380 -7.4380 -7.1158 -7.1158 -7.0545 -7.0545 -6.5979 -6.5979 -5.0457 -5.0457 -4.7705 -4.7705 -4.2400 -4.2400 -2.6276 -2.6276 -0.7403 -0.7403 -0.5657 -0.5657 1.9342 1.9342 5.7608 5.7608 6.9649 6.9649 7.9044 7.9044 7.9147 7.9147 8.2141 8.2141 8.2160 8.2160 9.1542 9.1542 9.2751 9.2751 14.3936 14.3936 15.9334 15.9334 16.1273 16.1273 16.4470 16.4470 k = 0.5000 0.5000 0.0946 ( 2920 PWs) bands (ev): -16.0221 -16.0221 -8.4872 -8.4872 -7.4383 -7.4383 -7.1143 -7.1143 -7.0525 -7.0525 -6.6011 -6.6011 -5.0462 -5.0462 -4.7725 -4.7725 -4.2549 -4.2549 -2.6316 -2.6316 -0.7451 -0.7451 -0.5754 -0.5754 1.8520 1.8520 5.8736 5.8736 6.9875 6.9875 7.8928 7.8928 7.9101 7.9101 8.2405 8.2405 8.2472 8.2472 9.1554 9.1554 9.2754 9.2754 14.3919 14.3919 15.8576 15.8576 16.1037 16.1037 16.4650 16.4650 k = 0.5000 0.5000 0.1081 ( 2920 PWs) bands (ev): -16.0214 -16.0214 -8.4691 -8.4691 -7.4385 -7.4385 -7.1126 -7.1126 -7.0501 -7.0501 -6.6048 -6.6048 -5.0467 -5.0467 -4.7749 -4.7749 -4.2720 -4.2720 -2.6362 -2.6362 -0.7505 -0.7505 -0.5863 -0.5863 1.7640 1.7640 5.9967 5.9967 7.0131 7.0131 7.8821 7.8821 7.9062 7.9062 8.2693 8.2693 8.2801 8.2801 9.1568 9.1568 9.2757 9.2757 14.3893 14.3893 15.7770 15.7770 16.0780 16.0780 16.4665 16.4665 k = 0.5000 0.5000 0.1216 ( 2916 PWs) bands (ev): -16.0207 -16.0207 -8.4487 -8.4487 -7.4389 -7.4389 -7.1107 -7.1107 -7.0475 -7.0475 -6.6090 -6.6090 -5.0472 -5.0472 -4.7775 -4.7775 -4.2914 -4.2914 -2.6412 -2.6412 -0.7566 -0.7566 -0.5984 -0.5984 1.6718 1.6718 6.1281 6.1281 7.0415 7.0415 7.8724 7.8724 7.9030 7.9030 8.3001 8.3001 8.3147 8.3147 9.1584 9.1584 9.2760 9.2760 14.3856 14.3856 15.6928 15.6928 16.0510 16.0510 16.3968 16.3968 k = 0.5000 0.5000 0.1351 ( 2908 PWs) bands (ev): -16.0199 -16.0199 -8.4260 -8.4260 -7.4392 -7.4392 -7.1086 -7.1086 -7.0447 -7.0447 -6.6138 -6.6138 -5.0478 -5.0478 -4.7804 -4.7804 -4.3129 -4.3129 -2.6467 -2.6467 -0.7631 -0.7631 -0.6115 -0.6115 1.5770 1.5770 6.2664 6.2664 7.0724 7.0724 7.8638 7.8638 7.9008 7.9008 8.3330 8.3330 8.3508 8.3508 9.1601 9.1601 9.2764 9.2764 14.3805 14.3805 15.6063 15.6063 16.0233 16.0233 16.2869 16.2869 k = 0.5000 0.5000 0.1486 ( 2908 PWs) bands (ev): -16.0190 -16.0190 -8.4012 -8.4012 -7.4396 -7.4396 -7.1063 -7.1063 -7.0416 -7.0416 -6.6192 -6.6192 -5.0485 -5.0485 -4.7834 -4.7834 -4.3364 -4.3364 -2.6526 -2.6526 -0.7702 -0.7702 -0.6256 -0.6256 1.4806 1.4806 6.4100 6.4100 7.1057 7.1057 7.8563 7.8563 7.8996 7.8996 8.3675 8.3675 8.3881 8.3881 9.1620 9.1620 9.2768 9.2768 14.3735 14.3735 15.5184 15.5184 15.9954 15.9954 16.1710 16.1710 k = 0.5000 0.5000 0.1622 ( 2904 PWs) bands (ev): -16.0181 -16.0181 -8.3741 -8.3741 -7.4399 -7.4399 -7.1039 -7.1039 -7.0383 -7.0383 -6.6252 -6.6252 -5.0492 -5.0492 -4.7868 -4.7868 -4.3620 -4.3620 -2.6589 -2.6589 -0.7777 -0.7777 -0.6405 -0.6405 1.3838 1.3838 6.5578 6.5578 7.1410 7.1410 7.8498 7.8498 7.8993 7.8993 8.4037 8.4037 8.4267 8.4267 9.1640 9.1640 9.2773 9.2773 14.3642 14.3642 15.4301 15.4301 15.9681 15.9681 16.0548 16.0548 k = 0.5000 0.5000 0.1757 ( 2904 PWs) bands (ev): -16.0171 -16.0171 -8.3450 -8.3450 -7.4404 -7.4404 -7.1014 -7.1014 -7.0348 -7.0348 -6.6317 -6.6317 -5.0500 -5.0500 -4.7903 -4.7903 -4.3895 -4.3895 -2.6655 -2.6655 -0.7856 -0.7856 -0.6560 -0.6560 1.2874 1.2874 6.7085 6.7085 7.1781 7.1781 7.8444 7.8444 7.9000 7.9000 8.4413 8.4413 8.4663 8.4663 9.1660 9.1660 9.2777 9.2777 14.3522 14.3522 15.3422 15.3422 15.9395 15.9395 15.9419 15.9419 k = 0.5000 0.5000 0.1892 ( 2916 PWs) bands (ev): -16.0161 -16.0161 -8.3139 -8.3139 -7.4408 -7.4408 -7.0988 -7.0988 -7.0312 -7.0312 -6.6390 -6.6390 -5.0508 -5.0508 -4.7939 -4.7939 -4.4188 -4.4188 -2.6724 -2.6724 -0.7939 -0.7939 -0.6721 -0.6721 1.1923 1.1923 6.8610 6.8610 7.2167 7.2167 7.8399 7.8399 7.9018 7.9018 8.4801 8.4801 8.5067 8.5067 9.1682 9.1682 9.2782 9.2782 14.3369 14.3369 15.2555 15.2555 15.8258 15.8258 15.9174 15.9174 k = 0.5000 0.5000 0.2027 ( 2908 PWs) bands (ev): -16.0150 -16.0150 -8.2808 -8.2808 -7.4412 -7.4412 -7.0960 -7.0960 -7.0274 -7.0274 -6.6469 -6.6469 -5.0516 -5.0516 -4.7977 -4.7977 -4.4499 -4.4499 -2.6795 -2.6795 -0.8024 -0.8024 -0.6886 -0.6886 1.0990 1.0990 7.0144 7.0144 7.2565 7.2565 7.8365 7.8365 7.9047 7.9047 8.5201 8.5201 8.5479 8.5479 9.1705 9.1705 9.2787 9.2787 14.3179 14.3179 15.1709 15.1709 15.7140 15.7140 15.8952 15.8952 k = 0.5000 0.5000 0.2162 ( 2908 PWs) bands (ev): -16.0139 -16.0139 -8.2458 -8.2458 -7.4417 -7.4417 -7.0932 -7.0932 -7.0235 -7.0235 -6.6556 -6.6556 -5.0525 -5.0525 -4.8017 -4.8017 -4.4825 -4.4825 -2.6868 -2.6868 -0.8111 -0.8111 -0.7054 -0.7054 1.0081 1.0081 7.1674 7.1674 7.2972 7.2972 7.8340 7.8340 7.9090 7.9090 8.5609 8.5609 8.5897 8.5897 9.1728 9.1728 9.2793 9.2793 14.2945 14.2945 15.0891 15.0891 15.6045 15.6045 15.8758 15.8758 k = 0.5000 0.5000 0.2297 ( 2904 PWs) bands (ev): -16.0128 -16.0128 -8.2090 -8.2090 -7.4421 -7.4421 -7.0903 -7.0903 -7.0196 -7.0196 -6.6650 -6.6650 -5.0533 -5.0533 -4.8057 -4.8057 -4.5165 -4.5165 -2.6942 -2.6942 -0.8200 -0.8200 -0.7223 -0.7223 0.9200 0.9200 7.3189 7.3189 7.3384 7.3384 7.8323 7.8323 7.9149 7.9149 8.6025 8.6025 8.6319 8.6319 9.1752 9.1752 9.2798 9.2798 14.2663 14.2663 15.0107 15.0107 15.4974 15.4974 15.8596 15.8596 k = 0.5000 0.5000 0.2432 ( 2920 PWs) bands (ev): -16.0117 -16.0117 -8.1706 -8.1706 -7.4426 -7.4426 -7.0875 -7.0875 -7.0155 -7.0155 -6.6753 -6.6753 -5.0542 -5.0542 -4.8098 -4.8098 -4.5517 -4.5517 -2.7017 -2.7017 -0.8289 -0.8289 -0.7394 -0.7394 0.8350 0.8350 7.3799 7.3799 7.4669 7.4669 7.8315 7.8315 7.9236 7.9236 8.6446 8.6446 8.6744 8.6744 9.1776 9.1776 9.2803 9.2803 14.2330 14.2330 14.9364 14.9364 15.3931 15.3931 15.8469 15.8469 k = 0.5000 0.5000 0.2568 ( 2920 PWs) bands (ev): -16.0106 -16.0106 -8.1307 -8.1307 -7.4431 -7.4431 -7.0846 -7.0846 -7.0115 -7.0115 -6.6864 -6.6864 -5.0551 -5.0551 -4.8139 -4.8139 -4.5879 -4.5879 -2.7091 -2.7091 -0.8379 -0.8379 -0.7563 -0.7563 0.7536 0.7536 7.4212 7.4212 7.6083 7.6083 7.8316 7.8316 7.9375 7.9375 8.6871 8.6871 8.7168 8.7168 9.1800 9.1800 9.2809 9.2809 14.1945 14.1945 14.8667 14.8667 15.2918 15.2918 15.8379 15.8379 k = 0.5000 0.5000 0.2703 ( 2928 PWs) bands (ev): -16.0095 -16.0095 -8.0893 -8.0893 -7.4435 -7.4435 -7.0817 -7.0817 -7.0074 -7.0074 -6.6984 -6.6984 -5.0560 -5.0560 -4.8180 -4.8180 -4.6248 -4.6248 -2.7166 -2.7166 -0.8468 -0.8468 -0.7730 -0.7730 0.6760 0.6760 7.4620 7.4620 7.7343 7.7343 7.8325 7.8325 7.9644 7.9644 8.7297 8.7297 8.7592 8.7592 9.1824 9.1824 9.2814 9.2814 14.1510 14.1510 14.8017 14.8017 15.1937 15.1937 15.8328 15.8328 k = 0.5000 0.5000 0.2838 ( 2920 PWs) bands (ev): -16.0084 -16.0084 -8.0466 -8.0466 -7.4440 -7.4440 -7.0790 -7.0790 -7.0034 -7.0034 -6.7114 -6.7114 -5.0569 -5.0569 -4.8221 -4.8221 -4.6623 -4.6623 -2.7239 -2.7239 -0.8556 -0.8556 -0.7894 -0.7894 0.6023 0.6023 7.5019 7.5019 7.8250 7.8250 7.8342 7.8342 8.0237 8.0237 8.7721 8.7721 8.8011 8.8011 9.1848 9.1848 9.2820 9.2820 14.1028 14.1028 14.7416 14.7416 15.0991 15.0991 15.8316 15.8316 k = 0.5000 0.5000 0.2973 ( 2928 PWs) bands (ev): -16.0073 -16.0073 -8.0028 -8.0028 -7.4444 -7.4444 -7.0763 -7.0763 -6.9994 -6.9994 -6.7253 -6.7253 -5.0578 -5.0578 -4.8261 -4.8261 -4.7000 -4.7000 -2.7310 -2.7310 -0.8642 -0.8642 -0.8054 -0.8054 0.5328 0.5328 7.5405 7.5405 7.8368 7.8368 7.8701 7.8701 8.1247 8.1247 8.8141 8.8141 8.8424 8.8424 9.1871 9.1871 9.2826 9.2826 14.0508 14.0508 14.6860 14.6860 15.0082 15.0082 15.8341 15.8341 k = 0.5000 0.5000 0.3108 ( 2928 PWs) bands (ev): -16.0063 -16.0063 -7.9580 -7.9580 -7.4448 -7.4448 -7.0737 -7.0737 -6.9955 -6.9955 -6.7404 -6.7404 -5.0587 -5.0587 -4.8301 -4.8301 -4.7376 -4.7376 -2.7380 -2.7380 -0.8726 -0.8726 -0.8209 -0.8209 0.4675 0.4675 7.5775 7.5775 7.8404 7.8404 7.8913 7.8913 8.2451 8.2451 8.8555 8.8555 8.8828 8.8828 9.1894 9.1894 9.2831 9.2831 13.9959 13.9959 14.6348 14.6348 14.9213 14.9213 15.8401 15.8401 k = 0.5000 0.5000 0.3243 ( 2928 PWs) bands (ev): -16.0052 -16.0052 -7.9125 -7.9125 -7.4453 -7.4453 -7.0713 -7.0713 -6.9917 -6.9917 -6.7564 -6.7564 -5.0595 -5.0595 -4.8339 -4.8339 -4.7748 -4.7748 -2.7447 -2.7447 -0.8807 -0.8807 -0.8357 -0.8357 0.4066 0.4066 7.6123 7.6123 7.8450 7.8450 7.9039 7.9039 8.3688 8.3688 8.8959 8.8959 8.9221 8.9221 9.1917 9.1917 9.2837 9.2837 13.9392 13.9392 14.5875 14.5875 14.8388 14.8388 15.8493 15.8493 k = 0.5000 0.5000 0.3378 ( 2932 PWs) bands (ev): -16.0043 -16.0043 -7.8664 -7.8664 -7.4456 -7.4456 -7.0691 -7.0691 -6.9881 -6.9881 -6.7736 -6.7736 -5.0603 -5.0603 -4.8376 -4.8376 -4.8113 -4.8113 -2.7511 -2.7511 -0.8885 -0.8885 -0.8498 -0.8498 0.3502 0.3502 7.6444 7.6444 7.8507 7.8507 7.9130 7.9130 8.4900 8.4900 8.9350 8.9350 8.9601 8.9601 9.1938 9.1938 9.2842 9.2842 13.8818 13.8818 14.5438 14.5438 14.7607 14.7607 15.8612 15.8612 k = 0.5000 0.5000 0.3514 ( 2924 PWs) bands (ev): -16.0033 -16.0033 -7.8201 -7.8201 -7.4460 -7.4460 -7.0672 -7.0672 -6.9847 -6.9847 -6.7918 -6.7918 -5.0611 -5.0611 -4.8467 -4.8467 -4.8411 -4.8411 -2.7572 -2.7572 -0.8958 -0.8958 -0.8631 -0.8631 0.2982 0.2982 7.6735 7.6735 7.8578 7.8578 7.9204 7.9204 8.6061 8.6061 8.9727 8.9727 8.9964 8.9964 9.1959 9.1959 9.2847 9.2847 13.8248 13.8248 14.5034 14.5034 14.6875 14.6875 15.8754 15.8754 k = 0.5000 0.5000 0.3649 ( 2916 PWs) bands (ev): -16.0025 -16.0025 -7.7738 -7.7738 -7.4464 -7.4464 -7.0656 -7.0656 -6.9814 -6.9814 -6.8109 -6.8109 -5.0618 -5.0618 -4.8805 -4.8805 -4.8445 -4.8445 -2.7629 -2.7629 -0.9027 -0.9027 -0.8755 -0.8755 0.2508 0.2508 7.6989 7.6989 7.8665 7.8665 7.9266 7.9266 8.7158 8.7158 9.0084 9.0084 9.0307 9.0307 9.1979 9.1979 9.2852 9.2852 13.7692 13.7692 14.4662 14.4662 14.6195 14.6195 15.8913 15.8913 k = 0.5000 0.5000 0.3784 ( 2916 PWs) bands (ev): -16.0016 -16.0016 -7.7279 -7.7279 -7.4467 -7.4467 -7.0644 -7.0644 -6.9784 -6.9784 -6.8309 -6.8309 -5.0625 -5.0625 -4.9126 -4.9126 -4.8475 -4.8475 -2.7682 -2.7682 -0.9091 -0.9091 -0.8869 -0.8869 0.2079 0.2079 7.7206 7.7206 7.8766 7.8766 7.9321 7.9321 8.8181 8.8181 9.0420 9.0420 9.0629 9.0629 9.1997 9.1997 9.2857 9.2857 13.7160 13.7160 14.4320 14.4320 14.5568 14.5568 15.9084 15.9084 k = 0.5000 0.5000 0.3919 ( 2916 PWs) bands (ev): -16.0009 -16.0009 -7.6828 -7.6828 -7.4470 -7.4470 -7.0637 -7.0637 -6.9756 -6.9756 -6.8515 -6.8515 -5.0631 -5.0631 -4.9424 -4.9424 -4.8504 -4.8504 -2.7730 -2.7730 -0.9150 -0.9150 -0.8974 -0.8974 0.1696 0.1696 7.7383 7.7383 7.8881 7.8881 7.9370 7.9370 8.9119 8.9119 9.0731 9.0731 9.0925 9.0925 9.2015 9.2015 9.2861 9.2861 13.6661 13.6661 14.4008 14.4008 14.4998 14.4998 15.9259 15.9259 k = 0.5000 0.5000 0.4054 ( 2924 PWs) bands (ev): -16.0002 -16.0002 -7.6390 -7.6390 -7.4473 -7.4473 -7.0637 -7.0637 -6.9731 -6.9731 -6.8723 -6.8723 -5.0637 -5.0637 -4.9697 -4.9697 -4.8529 -4.8529 -2.7773 -2.7773 -0.9202 -0.9202 -0.9067 -0.9067 0.1359 0.1359 7.7523 7.7523 7.9003 7.9003 7.9412 7.9412 8.9966 8.9966 9.1014 9.1014 9.1194 9.1194 9.2031 9.2031 9.2866 9.2866 13.6200 13.6200 14.3728 14.3728 14.4488 14.4488 15.9433 15.9433 k = 0.5000 0.5000 0.4189 ( 2912 PWs) bands (ev): -15.9996 -15.9996 -7.5971 -7.5971 -7.4475 -7.4475 -7.0645 -7.0645 -6.9709 -6.9709 -6.8929 -6.8929 -5.0642 -5.0642 -4.9942 -4.9942 -4.8552 -4.8552 -2.7811 -2.7811 -0.9249 -0.9249 -0.9149 -0.9149 0.1066 0.1066 7.7632 7.7632 7.9128 7.9128 7.9450 7.9450 9.0715 9.0715 9.1265 9.1265 9.1433 9.1433 9.2048 9.2048 9.2870 9.2870 13.5787 13.5787 14.3480 14.3480 14.4040 14.4040 15.9600 15.9600 k = 0.5000 0.5000 0.4324 ( 2912 PWs) bands (ev): -15.9991 -15.9991 -7.5579 -7.5579 -7.4477 -7.4477 -7.0663 -7.0663 -6.9690 -6.9690 -6.9125 -6.9125 -5.0646 -5.0646 -5.0154 -5.0154 -4.8571 -4.8571 -2.7844 -2.7844 -0.9289 -0.9289 -0.9219 -0.9219 0.0819 0.0819 7.7714 7.7714 7.9245 7.9245 7.9482 7.9482 9.1355 9.1355 9.1485 9.1485 9.1639 9.1639 9.2065 9.2065 9.2874 9.2874 13.5426 13.5426 14.3267 14.3267 14.3656 14.3656 15.9753 15.9753 k = 0.5000 0.5000 0.4459 ( 2912 PWs) bands (ev): -15.9987 -15.9987 -7.5225 -7.5225 -7.4479 -7.4479 -7.0691 -7.0691 -6.9674 -6.9674 -6.9301 -6.9301 -5.0650 -5.0650 -5.0332 -5.0332 -4.8588 -4.8588 -2.7871 -2.7871 -0.9321 -0.9321 -0.9277 -0.9277 0.0618 0.0618 7.7775 7.7775 7.9350 7.9350 7.9508 7.9508 9.1657 9.1657 9.1810 9.1810 9.1879 9.1879 9.2099 9.2099 9.2878 9.2878 13.5123 13.5123 14.3090 14.3090 14.3339 14.3339 15.9887 15.9887 k = 0.5000 0.5000 0.4595 ( 2904 PWs) bands (ev): -15.9984 -15.9984 -7.4922 -7.4922 -7.4480 -7.4480 -7.0730 -7.0730 -6.9662 -6.9662 -6.9448 -6.9448 -5.0653 -5.0653 -5.0472 -5.0472 -4.8600 -4.8600 -2.7892 -2.7892 -0.9347 -0.9347 -0.9322 -0.9322 0.0461 0.0461 7.7819 7.7819 7.9437 7.9437 7.9528 7.9528 9.1795 9.1795 9.1945 9.1945 9.2067 9.2067 9.2348 9.2348 9.2881 9.2881 13.4883 13.4883 14.2950 14.2950 14.3091 14.3091 15.9997 15.9997 k = 0.5000 0.5000 0.4730 ( 2880 PWs) bands (ev): -15.9982 -15.9982 -7.4686 -7.4686 -7.4481 -7.4481 -7.0771 -7.0771 -6.9653 -6.9653 -6.9557 -6.9557 -5.0655 -5.0655 -5.0574 -5.0574 -4.8609 -4.8609 -2.7907 -2.7907 -0.9366 -0.9366 -0.9355 -0.9355 0.0349 0.0349 7.7848 7.7848 7.9502 7.9502 7.9543 7.9543 9.1889 9.1889 9.2043 9.2043 9.2095 9.2095 9.2643 9.2643 9.2884 9.2884 13.4708 13.4708 14.2850 14.2850 14.2912 14.2912 16.0079 16.0079 k = 0.5000 0.5000 0.4865 ( 2872 PWs) bands (ev): -15.9980 -15.9980 -7.4534 -7.4534 -7.4481 -7.4481 -7.0804 -7.0804 -6.9647 -6.9647 -6.9623 -6.9623 -5.0656 -5.0656 -5.0636 -5.0636 -4.8615 -4.8615 -2.7917 -2.7917 -0.9377 -0.9377 -0.9374 -0.9374 0.0282 0.0282 7.7865 7.7865 7.9542 7.9542 7.9552 7.9552 9.1939 9.1939 9.2102 9.2102 9.2113 9.2113 9.2825 9.2825 9.2885 9.2885 13.4603 13.4603 14.2789 14.2789 14.2804 14.2804 16.0130 16.0130 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -15.9980 -15.9980 -7.4482 -7.4482 -7.4482 -7.4482 -7.0817 -7.0817 -6.9646 -6.9646 -6.9646 -6.9646 -5.0656 -5.0656 -5.0656 -5.0656 -4.8617 -4.8617 -2.7920 -2.7920 -0.9381 -0.9381 -0.9381 -0.9381 0.0260 0.0260 7.7871 7.7871 7.9555 7.9555 7.9555 7.9555 9.1954 9.1954 9.2121 9.2121 9.2121 9.2121 9.2886 9.2886 9.2886 9.2886 13.4567 13.4567 14.2768 14.2768 14.2768 14.2768 16.0147 16.0147 Writing output data file BaPbO3.save init_run : 0.24s CPU 0.35s WALL ( 1 calls) electrons : 92.51s CPU 94.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 92.50s CPU 94.27s 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 : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 285 calls) cegterg : 87.06s CPU 88.52s WALL ( 305 calls) Called by sum_band: Called by *egterg: h_psi : 35.55s CPU 36.60s WALL ( 5602 calls) s_psi : 2.85s CPU 2.80s WALL ( 5602 calls) g_psi : 0.13s CPU 0.14s WALL ( 5012 calls) cdiaghg : 42.68s CPU 43.15s WALL ( 5297 calls) cegterg:over : 3.50s CPU 3.86s WALL ( 5012 calls) cegterg:upda : 3.07s CPU 2.94s WALL ( 5012 calls) cegterg:last : 1.68s CPU 1.71s WALL ( 942 calls) cdiaghg:chol : 2.42s CPU 2.37s WALL ( 5297 calls) cdiaghg:inve : 1.65s CPU 1.69s WALL ( 5297 calls) cdiaghg:para : 2.80s CPU 2.70s WALL ( 10594 calls) Called by h_psi: h_psi:vloc : 29.52s CPU 30.39s WALL ( 5602 calls) h_psi:vnl : 5.91s CPU 6.08s WALL ( 5602 calls) add_vuspsi : 3.01s CPU 3.07s WALL ( 5602 calls) General routines calbec : 2.88s CPU 2.99s WALL ( 5602 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.12s CPU 28.00s WALL ( 626632 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.14s WALL ( 570 calls) Parallel routines fft_scatter : 13.37s CPU 14.30s WALL ( 626655 calls) PWSCF : 1m44.67s CPU 1m53.71s WALL This run was terminated on: 14:13: 2 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=