Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:54: 6 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: ./Ba3PbO.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 76 44 12 3002 1320 204 Max 77 45 13 3006 1341 211 Sum 2749 1597 465 108143 47833 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.3160 a.u. unit-cell volume = 1097.8318 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 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)= 10.316014 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= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 108143 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 47833 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 350, 60) NL pseudopotentials 0.41 Mb ( 175, 153) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 3004) G-vector shells 0.00 Mb ( 590) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 350, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.28 Mb ( 153, 2, 60) The potential is recalculated from file : ./Ba3PbO.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.3 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.6 secs Computing kpt #: 22 total cpu time spent up to now is 16.2 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.8 secs Computing kpt #: 25 total cpu time spent up to now is 18.6 secs Computing kpt #: 26 total cpu time spent up to now is 19.3 secs Computing kpt #: 27 total cpu time spent up to now is 20.0 secs Computing kpt #: 28 total cpu time spent up to now is 20.7 secs Computing kpt #: 29 total cpu time spent up to now is 21.3 secs Computing kpt #: 30 total cpu time spent up to now is 22.0 secs Computing kpt #: 31 total cpu time spent up to now is 22.7 secs Computing kpt #: 32 total cpu time spent up to now is 23.4 secs Computing kpt #: 33 total cpu time spent up to now is 24.0 secs Computing kpt #: 34 total cpu time spent up to now is 24.7 secs Computing kpt #: 35 total cpu time spent up to now is 25.4 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.7 secs Computing kpt #: 38 total cpu time spent up to now is 27.4 secs Computing kpt #: 39 total cpu time spent up to now is 28.1 secs Computing kpt #: 40 total cpu time spent up to now is 28.7 secs Computing kpt #: 41 total cpu time spent up to now is 29.4 secs Computing kpt #: 42 total cpu time spent up to now is 30.1 secs Computing kpt #: 43 total cpu time spent up to now is 30.8 secs Computing kpt #: 44 total cpu time spent up to now is 31.6 secs Computing kpt #: 45 total cpu time spent up to now is 32.4 secs Computing kpt #: 46 total cpu time spent up to now is 33.2 secs Computing kpt #: 47 total cpu time spent up to now is 33.9 secs Computing kpt #: 48 total cpu time spent up to now is 34.6 secs Computing kpt #: 49 total cpu time spent up to now is 35.4 secs Computing kpt #: 50 total cpu time spent up to now is 36.1 secs Computing kpt #: 51 total cpu time spent up to now is 36.8 secs Computing kpt #: 52 total cpu time spent up to now is 37.5 secs Computing kpt #: 53 total cpu time spent up to now is 38.2 secs Computing kpt #: 54 total cpu time spent up to now is 38.8 secs Computing kpt #: 55 total cpu time spent up to now is 39.5 secs Computing kpt #: 56 total cpu time spent up to now is 40.3 secs Computing kpt #: 57 total cpu time spent up to now is 41.1 secs Computing kpt #: 58 total cpu time spent up to now is 41.7 secs Computing kpt #: 59 total cpu time spent up to now is 42.5 secs Computing kpt #: 60 total cpu time spent up to now is 43.2 secs Computing kpt #: 61 total cpu time spent up to now is 43.9 secs Computing kpt #: 62 total cpu time spent up to now is 44.5 secs Computing kpt #: 63 total cpu time spent up to now is 45.3 secs Computing kpt #: 64 total cpu time spent up to now is 46.1 secs Computing kpt #: 65 total cpu time spent up to now is 46.9 secs Computing kpt #: 66 total cpu time spent up to now is 47.6 secs Computing kpt #: 67 total cpu time spent up to now is 48.3 secs Computing kpt #: 68 total cpu time spent up to now is 49.0 secs Computing kpt #: 69 total cpu time spent up to now is 49.6 secs Computing kpt #: 70 total cpu time spent up to now is 50.3 secs Computing kpt #: 71 total cpu time spent up to now is 51.0 secs Computing kpt #: 72 total cpu time spent up to now is 51.6 secs Computing kpt #: 73 total cpu time spent up to now is 52.3 secs Computing kpt #: 74 total cpu time spent up to now is 52.9 secs Computing kpt #: 75 total cpu time spent up to now is 53.5 secs Computing kpt #: 76 total cpu time spent up to now is 54.2 secs Computing kpt #: 77 total cpu time spent up to now is 54.8 secs Computing kpt #: 78 total cpu time spent up to now is 55.5 secs Computing kpt #: 79 total cpu time spent up to now is 56.1 secs Computing kpt #: 80 total cpu time spent up to now is 56.7 secs Computing kpt #: 81 total cpu time spent up to now is 57.3 secs Computing kpt #: 82 total cpu time spent up to now is 57.9 secs Computing kpt #: 83 total cpu time spent up to now is 58.6 secs Computing kpt #: 84 total cpu time spent up to now is 59.2 secs Computing kpt #: 85 total cpu time spent up to now is 59.8 secs Computing kpt #: 86 total cpu time spent up to now is 60.4 secs Computing kpt #: 87 total cpu time spent up to now is 61.0 secs Computing kpt #: 88 total cpu time spent up to now is 61.7 secs Computing kpt #: 89 total cpu time spent up to now is 62.3 secs Computing kpt #: 90 total cpu time spent up to now is 62.9 secs Computing kpt #: 91 total cpu time spent up to now is 63.5 secs Computing kpt #: 92 total cpu time spent up to now is 64.1 secs Computing kpt #: 93 total cpu time spent up to now is 64.8 secs Computing kpt #: 94 total cpu time spent up to now is 65.4 secs Computing kpt #: 95 total cpu time spent up to now is 66.0 secs Computing kpt #: 96 total cpu time spent up to now is 66.6 secs Computing kpt #: 97 total cpu time spent up to now is 67.2 secs Computing kpt #: 98 total cpu time spent up to now is 67.9 secs Computing kpt #: 99 total cpu time spent up to now is 68.5 secs Computing kpt #: 100 total cpu time spent up to now is 69.2 secs Computing kpt #: 101 total cpu time spent up to now is 69.8 secs Computing kpt #: 102 total cpu time spent up to now is 70.5 secs Computing kpt #: 103 total cpu time spent up to now is 71.1 secs Computing kpt #: 104 total cpu time spent up to now is 71.7 secs Computing kpt #: 105 total cpu time spent up to now is 72.4 secs Computing kpt #: 106 total cpu time spent up to now is 73.1 secs Computing kpt #: 107 total cpu time spent up to now is 73.7 secs Computing kpt #: 108 total cpu time spent up to now is 74.3 secs Computing kpt #: 109 total cpu time spent up to now is 75.0 secs Computing kpt #: 110 total cpu time spent up to now is 75.6 secs Computing kpt #: 111 total cpu time spent up to now is 76.2 secs Computing kpt #: 112 total cpu time spent up to now is 76.9 secs Computing kpt #: 113 total cpu time spent up to now is 77.5 secs Computing kpt #: 114 total cpu time spent up to now is 78.2 secs Computing kpt #: 115 total cpu time spent up to now is 78.8 secs Computing kpt #: 116 total cpu time spent up to now is 79.4 secs Computing kpt #: 117 total cpu time spent up to now is 80.1 secs Computing kpt #: 118 total cpu time spent up to now is 80.7 secs Computing kpt #: 119 total cpu time spent up to now is 81.4 secs Computing kpt #: 120 total cpu time spent up to now is 82.0 secs Computing kpt #: 121 total cpu time spent up to now is 82.7 secs Computing kpt #: 122 total cpu time spent up to now is 83.3 secs Computing kpt #: 123 total cpu time spent up to now is 84.0 secs Computing kpt #: 124 total cpu time spent up to now is 84.7 secs Computing kpt #: 125 total cpu time spent up to now is 85.4 secs Computing kpt #: 126 total cpu time spent up to now is 86.1 secs Computing kpt #: 127 total cpu time spent up to now is 86.8 secs Computing kpt #: 128 total cpu time spent up to now is 87.4 secs Computing kpt #: 129 total cpu time spent up to now is 88.1 secs Computing kpt #: 130 total cpu time spent up to now is 88.8 secs Computing kpt #: 131 total cpu time spent up to now is 89.4 secs Computing kpt #: 132 total cpu time spent up to now is 90.2 secs Computing kpt #: 133 total cpu time spent up to now is 90.9 secs Computing kpt #: 134 total cpu time spent up to now is 91.6 secs Computing kpt #: 135 total cpu time spent up to now is 92.3 secs Computing kpt #: 136 total cpu time spent up to now is 93.0 secs Computing kpt #: 137 total cpu time spent up to now is 93.7 secs Computing kpt #: 138 total cpu time spent up to now is 94.4 secs Computing kpt #: 139 total cpu time spent up to now is 95.1 secs Computing kpt #: 140 total cpu time spent up to now is 95.8 secs Computing kpt #: 141 total cpu time spent up to now is 96.5 secs Computing kpt #: 142 total cpu time spent up to now is 97.2 secs Computing kpt #: 143 total cpu time spent up to now is 97.9 secs Computing kpt #: 144 total cpu time spent up to now is 98.6 secs Computing kpt #: 145 total cpu time spent up to now is 99.4 secs Computing kpt #: 146 total cpu time spent up to now is 100.2 secs Computing kpt #: 147 total cpu time spent up to now is 101.0 secs Computing kpt #: 148 total cpu time spent up to now is 101.7 secs Computing kpt #: 149 total cpu time spent up to now is 102.5 secs Computing kpt #: 150 total cpu time spent up to now is 103.3 secs Computing kpt #: 151 total cpu time spent up to now is 104.0 secs Computing kpt #: 152 total cpu time spent up to now is 104.8 secs Computing kpt #: 153 total cpu time spent up to now is 105.5 secs Computing kpt #: 154 total cpu time spent up to now is 106.3 secs Computing kpt #: 155 total cpu time spent up to now is 107.0 secs Computing kpt #: 156 total cpu time spent up to now is 107.8 secs Computing kpt #: 157 total cpu time spent up to now is 108.6 secs Computing kpt #: 158 total cpu time spent up to now is 109.3 secs Computing kpt #: 159 total cpu time spent up to now is 110.1 secs Computing kpt #: 160 total cpu time spent up to now is 110.9 secs Computing kpt #: 161 total cpu time spent up to now is 111.6 secs Computing kpt #: 162 total cpu time spent up to now is 112.3 secs Computing kpt #: 163 total cpu time spent up to now is 113.0 secs Computing kpt #: 164 total cpu time spent up to now is 113.7 secs Computing kpt #: 165 total cpu time spent up to now is 114.4 secs Computing kpt #: 166 total cpu time spent up to now is 115.1 secs Computing kpt #: 167 total cpu time spent up to now is 115.7 secs Computing kpt #: 168 total cpu time spent up to now is 116.4 secs Computing kpt #: 169 total cpu time spent up to now is 117.1 secs Computing kpt #: 170 total cpu time spent up to now is 117.8 secs Computing kpt #: 171 total cpu time spent up to now is 118.5 secs Computing kpt #: 172 total cpu time spent up to now is 119.2 secs Computing kpt #: 173 total cpu time spent up to now is 119.9 secs Computing kpt #: 174 total cpu time spent up to now is 120.6 secs Computing kpt #: 175 total cpu time spent up to now is 121.3 secs Computing kpt #: 176 total cpu time spent up to now is 122.1 secs Computing kpt #: 177 total cpu time spent up to now is 122.9 secs Computing kpt #: 178 total cpu time spent up to now is 123.6 secs Computing kpt #: 179 total cpu time spent up to now is 124.4 secs Computing kpt #: 180 total cpu time spent up to now is 125.1 secs Computing kpt #: 181 total cpu time spent up to now is 125.9 secs Computing kpt #: 182 total cpu time spent up to now is 126.7 secs Computing kpt #: 183 total cpu time spent up to now is 127.5 secs Computing kpt #: 184 total cpu time spent up to now is 128.2 secs Computing kpt #: 185 total cpu time spent up to now is 129.0 secs Computing kpt #: 186 total cpu time spent up to now is 129.9 secs Computing kpt #: 187 total cpu time spent up to now is 130.9 secs Computing kpt #: 188 total cpu time spent up to now is 131.7 secs Computing kpt #: 189 total cpu time spent up to now is 132.4 secs Computing kpt #: 190 total cpu time spent up to now is 133.1 secs Computing kpt #: 191 total cpu time spent up to now is 133.7 secs Computing kpt #: 192 total cpu time spent up to now is 134.4 secs Computing kpt #: 193 total cpu time spent up to now is 135.1 secs Computing kpt #: 194 total cpu time spent up to now is 135.8 secs Computing kpt #: 195 total cpu time spent up to now is 136.5 secs Computing kpt #: 196 total cpu time spent up to now is 137.2 secs Computing kpt #: 197 total cpu time spent up to now is 137.9 secs Computing kpt #: 198 total cpu time spent up to now is 138.5 secs Computing kpt #: 199 total cpu time spent up to now is 139.2 secs Computing kpt #: 200 total cpu time spent up to now is 139.9 secs Computing kpt #: 201 total cpu time spent up to now is 140.6 secs Computing kpt #: 202 total cpu time spent up to now is 141.2 secs Computing kpt #: 203 total cpu time spent up to now is 141.9 secs Computing kpt #: 204 total cpu time spent up to now is 142.6 secs Computing kpt #: 205 total cpu time spent up to now is 143.2 secs Computing kpt #: 206 total cpu time spent up to now is 143.9 secs Computing kpt #: 207 total cpu time spent up to now is 144.6 secs Computing kpt #: 208 total cpu time spent up to now is 145.3 secs Computing kpt #: 209 total cpu time spent up to now is 146.0 secs Computing kpt #: 210 total cpu time spent up to now is 146.7 secs Computing kpt #: 211 total cpu time spent up to now is 147.4 secs Computing kpt #: 212 total cpu time spent up to now is 148.0 secs Computing kpt #: 213 total cpu time spent up to now is 148.8 secs Computing kpt #: 214 total cpu time spent up to now is 149.5 secs Computing kpt #: 215 total cpu time spent up to now is 150.3 secs Computing kpt #: 216 total cpu time spent up to now is 151.1 secs Computing kpt #: 217 total cpu time spent up to now is 151.9 secs Computing kpt #: 218 total cpu time spent up to now is 152.7 secs Computing kpt #: 219 total cpu time spent up to now is 153.5 secs Computing kpt #: 220 total cpu time spent up to now is 154.2 secs Computing kpt #: 221 total cpu time spent up to now is 155.0 secs Computing kpt #: 222 total cpu time spent up to now is 155.8 secs Computing kpt #: 223 total cpu time spent up to now is 156.6 secs Computing kpt #: 224 total cpu time spent up to now is 157.3 secs Computing kpt #: 225 total cpu time spent up to now is 158.1 secs ethr = 2.00E-08, avg # of iterations = 19.1 total cpu time spent up to now is 158.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -18.8075 -18.8075 -18.5478 -18.5478 -18.5478 -18.5478 -8.0893 -8.0893 -7.4588 -7.4588 -7.4588 -7.4588 -5.5976 -5.5976 -5.5976 -5.5976 -5.0095 -5.0095 -4.9057 -4.9057 -4.8993 -4.8993 -4.8993 -4.8993 -3.9860 -3.9860 -3.5692 -3.5692 -3.5692 -3.5692 -3.1985 -3.1985 -2.8469 -2.8469 -2.8469 -2.8469 1.9355 1.9355 6.9419 6.9419 6.9419 6.9419 6.9864 6.9864 9.2637 9.2637 9.4742 9.4742 9.4742 9.4742 9.7693 9.7693 9.7693 9.7693 9.7754 9.7754 10.5936 10.5936 10.5936 10.5936 k = 0.0000 0.0172-0.0000 ( 6031 PWs) bands (ev): -18.8073 -18.8073 -18.5479 -18.5479 -18.5478 -18.5478 -8.0901 -8.0901 -7.4588 -7.4588 -7.4588 -7.4588 -5.5976 -5.5976 -5.5966 -5.5966 -5.0097 -5.0097 -4.9057 -4.9057 -4.8993 -4.8993 -4.8993 -4.8993 -3.9851 -3.9851 -3.5691 -3.5691 -3.5689 -3.5689 -3.1986 -3.1986 -2.8473 -2.8473 -2.8473 -2.8473 1.9366 1.9366 6.9389 6.9389 6.9415 6.9415 6.9847 6.9847 9.2440 9.2440 9.4769 9.4769 9.4827 9.4827 9.7694 9.7694 9.7751 9.7751 9.7752 9.7752 10.5501 10.5501 10.5956 10.5956 k = 0.0000 0.0345-0.0000 ( 6023 PWs) bands (ev): -18.8068 -18.8068 -18.5484 -18.5484 -18.5478 -18.5478 -8.0925 -8.0925 -7.4588 -7.4588 -7.4588 -7.4588 -5.5976 -5.5976 -5.5938 -5.5938 -5.0105 -5.0105 -4.9056 -4.9056 -4.8992 -4.8992 -4.8992 -4.8992 -3.9825 -3.9825 -3.5686 -3.5686 -3.5682 -3.5682 -3.1991 -3.1991 -2.8484 -2.8484 -2.8483 -2.8483 1.9401 1.9401 6.9290 6.9290 6.9403 6.9403 6.9807 6.9807 9.1947 9.1947 9.4849 9.4849 9.4982 9.4982 9.7680 9.7680 9.7758 9.7758 9.7932 9.7932 10.4790 10.4790 10.6016 10.6016 k = 0.0000 0.0517-0.0000 ( 6007 PWs) bands (ev): -18.8060 -18.8060 -18.5492 -18.5492 -18.5477 -18.5477 -8.0966 -8.0966 -7.4588 -7.4588 -7.4588 -7.4588 -5.5978 -5.5978 -5.5892 -5.5892 -5.0118 -5.0118 -4.9054 -4.9054 -4.8991 -4.8991 -4.8990 -4.8990 -3.9782 -3.9782 -3.5679 -3.5679 -3.5670 -3.5670 -3.1998 -3.1998 -2.8503 -2.8503 -2.8499 -2.8499 1.9458 1.9458 6.9110 6.9110 6.9384 6.9384 6.9758 6.9758 9.1286 9.1286 9.4982 9.4982 9.5065 9.5065 9.7633 9.7633 9.7794 9.7794 9.8232 9.8232 10.4162 10.4162 10.6118 10.6118 k = 0.0000 0.0690-0.0000 ( 5999 PWs) bands (ev): -18.8048 -18.8048 -18.5503 -18.5503 -18.5477 -18.5477 -8.1021 -8.1021 -7.4589 -7.4589 -7.4589 -7.4589 -5.5979 -5.5979 -5.5828 -5.5828 -5.0136 -5.0136 -4.9052 -4.9052 -4.8989 -4.8989 -4.8986 -4.8986 -3.9722 -3.9722 -3.5667 -3.5667 -3.5652 -3.5652 -3.2008 -3.2008 -2.8529 -2.8529 -2.8523 -2.8523 1.9537 1.9537 6.8842 6.8842 6.9357 6.9357 6.9711 6.9711 9.0528 9.0528 9.5018 9.5018 9.5168 9.5168 9.7558 9.7558 9.7851 9.7851 9.8631 9.8631 10.3700 10.3700 10.6267 10.6267 k = 0.0000 0.0862-0.0000 ( 5979 PWs) bands (ev): -18.8033 -18.8033 -18.5518 -18.5518 -18.5477 -18.5477 -8.1091 -8.1091 -7.4589 -7.4589 -7.4589 -7.4589 -5.5981 -5.5981 -5.5748 -5.5748 -5.0159 -5.0159 -4.9051 -4.9051 -4.8987 -4.8987 -4.8982 -4.8982 -3.9648 -3.9648 -3.5652 -3.5652 -3.5630 -3.5630 -3.2021 -3.2021 -2.8562 -2.8562 -2.8552 -2.8552 1.9637 1.9637 6.8493 6.8493 6.9323 6.9323 6.9667 6.9667 8.9704 8.9704 9.4838 9.4838 9.5407 9.5407 9.7456 9.7456 9.7926 9.7926 9.9093 9.9093 10.3440 10.3440 10.6466 10.6466 k = 0.0000 0.1034-0.0000 ( 5979 PWs) bands (ev): -18.8014 -18.8014 -18.5535 -18.5535 -18.5477 -18.5477 -8.1174 -8.1174 -7.4590 -7.4590 -7.4590 -7.4590 -5.5984 -5.5984 -5.5652 -5.5652 -5.0186 -5.0186 -4.9050 -4.9050 -4.8986 -4.8986 -4.8975 -4.8975 -3.9561 -3.9561 -3.5631 -3.5631 -3.5603 -3.5603 -3.2038 -3.2038 -2.8602 -2.8602 -2.8587 -2.8587 1.9758 1.9758 6.8071 6.8071 6.9283 6.9283 6.9622 6.9622 8.8832 8.8832 9.4543 9.4543 9.5697 9.5697 9.7328 9.7328 9.8017 9.8017 9.9584 9.9584 10.3394 10.3394 10.6720 10.6720 k = 0.0000 0.1207-0.0000 ( 5975 PWs) bands (ev): -18.7993 -18.7993 -18.5556 -18.5556 -18.5476 -18.5476 -8.1268 -8.1268 -7.4591 -7.4591 -7.4591 -7.4591 -5.5986 -5.5986 -5.5541 -5.5541 -5.0218 -5.0218 -4.9050 -4.9050 -4.8984 -4.8984 -4.8966 -4.8966 -3.9463 -3.9463 -3.5604 -3.5604 -3.5571 -3.5571 -3.2058 -3.2058 -2.8648 -2.8648 -2.8627 -2.8627 1.9898 1.9898 6.7586 6.7586 6.9238 6.9238 6.9575 6.9575 8.7924 8.7924 9.4162 9.4162 9.6037 9.6037 9.7173 9.7173 9.8125 9.8125 10.0081 10.0081 10.3557 10.3557 10.7032 10.7032 k = 0.0000 0.1379-0.0000 ( 5975 PWs) bands (ev): -18.7969 -18.7969 -18.5579 -18.5579 -18.5476 -18.5476 -8.1374 -8.1374 -7.4592 -7.4592 -7.4592 -7.4592 -5.5989 -5.5989 -5.5418 -5.5418 -5.0255 -5.0255 -4.9051 -4.9051 -4.8983 -4.8983 -4.8956 -4.8956 -3.9355 -3.9355 -3.5569 -3.5569 -3.5534 -3.5534 -3.2082 -3.2082 -2.8701 -2.8701 -2.8671 -2.8671 2.0055 2.0055 6.7047 6.7047 6.9188 6.9188 6.9527 6.9527 8.6990 8.6990 9.3722 9.3722 9.6425 9.6425 9.6995 9.6995 9.8247 9.8247 10.0575 10.0575 10.3907 10.3907 10.7404 10.7404 k = 0.0000 0.1552-0.0000 ( 5987 PWs) bands (ev): -18.7941 -18.7941 -18.5606 -18.5606 -18.5475 -18.5475 -8.1488 -8.1488 -7.4593 -7.4593 -7.4593 -7.4593 -5.5993 -5.5993 -5.5283 -5.5283 -5.0296 -5.0296 -4.9052 -4.9052 -4.8982 -4.8982 -4.8943 -4.8943 -3.9241 -3.9241 -3.5525 -3.5525 -3.5493 -3.5493 -3.2110 -3.2110 -2.8758 -2.8758 -2.8720 -2.8720 2.0229 2.0229 6.6462 6.6462 6.9133 6.9133 6.9476 6.9476 8.6041 8.6041 9.3248 9.3248 9.6762 9.6762 9.6894 9.6894 9.8385 9.8385 10.1071 10.1071 10.4413 10.4413 10.7839 10.7839 k = 0.0000 0.1724-0.0000 ( 5971 PWs) bands (ev): -18.7911 -18.7911 -18.5635 -18.5635 -18.5475 -18.5475 -8.1609 -8.1609 -7.4594 -7.4594 -7.4594 -7.4594 -5.5997 -5.5997 -5.5138 -5.5138 -5.0340 -5.0340 -4.9055 -4.9055 -4.8981 -4.8981 -4.8929 -4.8929 -3.9123 -3.9123 -3.5470 -3.5470 -3.5446 -3.5446 -3.2142 -3.2142 -2.8821 -2.8821 -2.8772 -2.8772 2.0417 2.0417 6.5842 6.5842 6.9076 6.9076 6.9424 6.9424 8.5085 8.5085 9.2758 9.2758 9.6559 9.6559 9.7358 9.7358 9.8535 9.8535 10.1581 10.1581 10.5042 10.5042 10.8336 10.8336 k = 0.0000 0.1897-0.0000 ( 5975 PWs) bands (ev): -18.7878 -18.7878 -18.5666 -18.5666 -18.5474 -18.5474 -8.1736 -8.1736 -7.4595 -7.4595 -7.4595 -7.4595 -5.6001 -5.6001 -5.4984 -5.4984 -5.0389 -5.0389 -4.9057 -4.9057 -4.8982 -4.8982 -4.8914 -4.8914 -3.9005 -3.9005 -3.5404 -3.5404 -3.5395 -3.5395 -3.2178 -3.2178 -2.8888 -2.8888 -2.8826 -2.8826 2.0618 2.0618 6.5195 6.5195 6.9016 6.9016 6.9370 6.9370 8.4130 8.4130 9.2267 9.2267 9.6320 9.6320 9.7888 9.7888 9.8699 9.8699 10.2114 10.2114 10.5767 10.5767 10.8895 10.8895 k = 0.0000 0.2069-0.0000 ( 5975 PWs) bands (ev): -18.7843 -18.7843 -18.5700 -18.5700 -18.5474 -18.5474 -8.1867 -8.1867 -7.4597 -7.4597 -7.4597 -7.4597 -5.6005 -5.6005 -5.4823 -5.4823 -5.0442 -5.0442 -4.9061 -4.9061 -4.8983 -4.8983 -4.8898 -4.8898 -3.8888 -3.8888 -3.5339 -3.5339 -3.5324 -3.5324 -3.2219 -3.2219 -2.8959 -2.8959 -2.8882 -2.8882 2.0829 2.0829 6.4529 6.4529 6.8955 6.8955 6.9316 6.9316 8.3185 8.3185 9.1783 9.1783 9.6067 9.6067 9.8461 9.8461 9.8875 9.8875 10.2679 10.2679 10.6568 10.6568 10.9515 10.9515 k = 0.0000 0.2241-0.0000 ( 5971 PWs) bands (ev): -18.7805 -18.7805 -18.5737 -18.5737 -18.5473 -18.5473 -8.2000 -8.2000 -7.4598 -7.4598 -7.4598 -7.4598 -5.6009 -5.6009 -5.4657 -5.4657 -5.0499 -5.0499 -4.9064 -4.9064 -4.8985 -4.8985 -4.8880 -4.8880 -3.8777 -3.8777 -3.5278 -3.5278 -3.5230 -3.5230 -3.2265 -3.2265 -2.9034 -2.9034 -2.8940 -2.8940 2.1048 2.1048 6.3854 6.3854 6.8893 6.8893 6.9261 6.9261 8.2256 8.2256 9.1314 9.1314 9.5805 9.5805 9.9050 9.9050 9.9086 9.9086 10.3282 10.3282 10.7430 10.7430 11.0194 11.0194 k = 0.0000 0.2414-0.0000 ( 5983 PWs) bands (ev): -18.7765 -18.7765 -18.5775 -18.5775 -18.5473 -18.5473 -8.2133 -8.2133 -7.4599 -7.4599 -7.4599 -7.4599 -5.6014 -5.6014 -5.4486 -5.4486 -5.0559 -5.0559 -4.9068 -4.9068 -4.8987 -4.8987 -4.8863 -4.8863 -3.8673 -3.8673 -3.5213 -3.5213 -3.5121 -3.5121 -3.2316 -3.2316 -2.9112 -2.9112 -2.8997 -2.8997 2.1272 2.1272 6.3176 6.3176 6.8831 6.8831 6.9207 6.9207 8.1351 8.1351 9.0863 9.0863 9.5539 9.5539 9.9254 9.9254 9.9729 9.9729 10.3924 10.3924 10.8344 10.8344 11.0929 11.0929 k = 0.0000 0.2586-0.0000 ( 5986 PWs) bands (ev): -18.7723 -18.7723 -18.5816 -18.5816 -18.5472 -18.5472 -8.2266 -8.2266 -7.4601 -7.4601 -7.4601 -7.4601 -5.6018 -5.6018 -5.4312 -5.4312 -5.0624 -5.0624 -4.9072 -4.9072 -4.8991 -4.8991 -4.8844 -4.8844 -3.8579 -3.8579 -3.5144 -3.5144 -3.4997 -3.4997 -3.2373 -3.2373 -2.9191 -2.9191 -2.9054 -2.9054 2.1500 2.1500 6.2505 6.2505 6.8770 6.8770 6.9154 6.9154 8.0476 8.0476 9.0433 9.0433 9.5272 9.5272 9.9456 9.9456 10.0416 10.0416 10.4606 10.4606 10.9303 10.9303 11.1718 11.1718 k = 0.0000 0.2759-0.0000 ( 5974 PWs) bands (ev): -18.7680 -18.7680 -18.5857 -18.5857 -18.5472 -18.5472 -8.2396 -8.2396 -7.4602 -7.4602 -7.4602 -7.4602 -5.6023 -5.6023 -5.4136 -5.4136 -5.0692 -5.0692 -4.9076 -4.9076 -4.8995 -4.8995 -4.8826 -4.8826 -3.8495 -3.8495 -3.5070 -3.5070 -3.4860 -3.4860 -3.2434 -3.2434 -2.9273 -2.9273 -2.9110 -2.9110 2.1729 2.1729 6.1847 6.1847 6.8711 6.8711 6.9103 6.9103 7.9635 7.9635 9.0027 9.0027 9.5009 9.5009 9.9663 9.9663 10.1133 10.1133 10.5329 10.5329 11.0303 11.0303 11.2558 11.2558 k = 0.0000 0.2931-0.0000 ( 5966 PWs) bands (ev): -18.7636 -18.7636 -18.5901 -18.5901 -18.5471 -18.5471 -8.2523 -8.2523 -7.4603 -7.4603 -7.4603 -7.4603 -5.6027 -5.6027 -5.3959 -5.3959 -5.0765 -5.0765 -4.9080 -4.9080 -4.8999 -4.8999 -4.8808 -4.8808 -3.8422 -3.8422 -3.4992 -3.4992 -3.4711 -3.4711 -3.2501 -3.2501 -2.9356 -2.9356 -2.9164 -2.9164 2.1955 2.1955 6.1210 6.1210 6.8653 6.8653 6.9054 6.9054 7.8835 7.8835 8.9647 8.9647 9.4752 9.4752 9.9874 9.9874 10.1875 10.1875 10.6092 10.6092 11.1340 11.1340 11.3447 11.3447 k = 0.0000 0.3103-0.0000 ( 5958 PWs) bands (ev): -18.7590 -18.7590 -18.5945 -18.5945 -18.5471 -18.5471 -8.2644 -8.2644 -7.4605 -7.4605 -7.4605 -7.4605 -5.6031 -5.6031 -5.3783 -5.3783 -5.0841 -5.0841 -4.9084 -4.9084 -4.9004 -4.9004 -4.8791 -4.8791 -3.8361 -3.8361 -3.4911 -3.4911 -3.4552 -3.4552 -3.2573 -3.2573 -2.9439 -2.9439 -2.9215 -2.9215 2.2176 2.2176 6.0599 6.0599 6.8598 6.8598 6.9007 6.9007 7.8080 7.8080 8.9293 8.9293 9.4506 9.4506 10.0085 10.0085 10.2636 10.2636 10.6894 10.6894 11.2411 11.2411 11.4383 11.4383 k = 0.0000 0.3276-0.0000 ( 5958 PWs) bands (ev): -18.7544 -18.7544 -18.5989 -18.5989 -18.5470 -18.5470 -8.2759 -8.2759 -7.4606 -7.4606 -7.4606 -7.4606 -5.6036 -5.6036 -5.3608 -5.3608 -5.0922 -5.0922 -4.9088 -4.9088 -4.9009 -4.9009 -4.8773 -4.8773 -3.8310 -3.8310 -3.4825 -3.4825 -3.4388 -3.4388 -3.2650 -3.2650 -2.9521 -2.9521 -2.9263 -2.9263 2.2390 2.2390 6.0020 6.0020 6.8547 6.8547 6.8964 6.8964 7.7374 7.7374 8.8966 8.8966 9.4272 9.4272 10.0295 10.0295 10.3410 10.3410 10.7733 10.7733 11.3514 11.3514 11.5361 11.5361 k = 0.0000 0.3448-0.0000 ( 5958 PWs) bands (ev): -18.7498 -18.7498 -18.6034 -18.6034 -18.5470 -18.5470 -8.2866 -8.2866 -7.4607 -7.4607 -7.4607 -7.4607 -5.6040 -5.6040 -5.3434 -5.3434 -5.1007 -5.1007 -4.9092 -4.9092 -4.9015 -4.9015 -4.8757 -4.8757 -3.8268 -3.8268 -3.4737 -3.4737 -3.4220 -3.4220 -3.2732 -3.2732 -2.9603 -2.9603 -2.9307 -2.9307 2.2594 2.2594 5.9480 5.9480 6.8499 6.8499 6.8924 6.8924 7.6721 7.6721 8.8669 8.8669 9.4054 9.4054 10.0500 10.0500 10.4187 10.4187 10.8608 10.8608 11.4646 11.4646 11.6380 11.6380 k = 0.0000 0.3621-0.0000 ( 5962 PWs) bands (ev): -18.7453 -18.7453 -18.6079 -18.6079 -18.5469 -18.5469 -8.2965 -8.2965 -7.4608 -7.4608 -7.4608 -7.4608 -5.6043 -5.6043 -5.3263 -5.3263 -5.1096 -5.1096 -4.9095 -4.9095 -4.9021 -4.9021 -4.8742 -4.8742 -3.8235 -3.8235 -3.4646 -3.4646 -3.4054 -3.4054 -3.2817 -3.2817 -2.9682 -2.9682 -2.9348 -2.9348 2.2784 2.2784 5.8984 5.8984 6.8455 6.8455 6.8887 6.8887 7.6126 7.6126 8.8400 8.8400 9.3853 9.3853 10.0697 10.0697 10.4958 10.4958 10.9517 10.9517 11.5803 11.5803 11.7435 11.7435 k = 0.0000 0.3793-0.0000 ( 5970 PWs) bands (ev): -18.7409 -18.7409 -18.6122 -18.6122 -18.5469 -18.5469 -8.3054 -8.3054 -7.4609 -7.4609 -7.4609 -7.4609 -5.6047 -5.6047 -5.3096 -5.3096 -5.1190 -5.1190 -4.9098 -4.9098 -4.9026 -4.9026 -4.8728 -4.8728 -3.8209 -3.8209 -3.4553 -3.4553 -3.3894 -3.3894 -3.2906 -3.2906 -2.9758 -2.9758 -2.9384 -2.9384 2.2959 2.2959 5.8535 5.8535 6.8416 6.8416 6.8855 6.8855 7.5591 7.5591 8.8161 8.8161 9.3671 9.3671 10.0883 10.0883 10.5708 10.5708 11.0458 11.0458 11.6980 11.6980 11.8521 11.8521 k = 0.0000 0.3966-0.0000 ( 5962 PWs) bands (ev): -18.7366 -18.7366 -18.6163 -18.6163 -18.5469 -18.5469 -8.3133 -8.3133 -7.4610 -7.4610 -7.4610 -7.4610 -5.6050 -5.6050 -5.2933 -5.2933 -5.1288 -5.1288 -4.9101 -4.9101 -4.9031 -4.9031 -4.8716 -4.8716 -3.8189 -3.8189 -3.4459 -3.4459 -3.3743 -3.3743 -3.2997 -3.2997 -2.9830 -2.9830 -2.9415 -2.9415 2.3116 2.3116 5.8137 5.8137 6.8381 6.8381 6.8827 6.8827 7.5120 7.5120 8.7953 8.7953 9.3510 9.3510 10.1054 10.1054 10.6424 10.6424 11.1427 11.1427 11.8167 11.8167 11.9625 11.9625 k = 0.0000 0.4138-0.0000 ( 5962 PWs) bands (ev): -18.7328 -18.7328 -18.6201 -18.6201 -18.5468 -18.5468 -8.3201 -8.3201 -7.4611 -7.4611 -7.4611 -7.4611 -5.6053 -5.6053 -5.2774 -5.2774 -5.1391 -5.1391 -4.9103 -4.9103 -4.9036 -4.9036 -4.8705 -4.8705 -3.8174 -3.8174 -3.4365 -3.4365 -3.3605 -3.3605 -3.3088 -3.3088 -2.9896 -2.9896 -2.9442 -2.9442 2.3253 2.3253 5.7795 5.7795 6.8351 6.8351 6.8803 6.8803 7.4717 7.4717 8.7776 8.7776 9.3372 9.3372 10.1206 10.1206 10.7086 10.7086 11.2422 11.2422 11.9329 11.9329 12.0478 12.0478 k = 0.0000 0.4310-0.0000 ( 5966 PWs) bands (ev): -18.7293 -18.7293 -18.6235 -18.6235 -18.5468 -18.5468 -8.3257 -8.3257 -7.4612 -7.4612 -7.4611 -7.4611 -5.6055 -5.6055 -5.2622 -5.2622 -5.1497 -5.1497 -4.9105 -4.9105 -4.9040 -4.9040 -4.8696 -4.8696 -3.8164 -3.8164 -3.4274 -3.4274 -3.3485 -3.3485 -3.3178 -3.3178 -2.9953 -2.9953 -2.9464 -2.9464 2.3368 2.3368 5.7511 5.7511 6.8327 6.8327 6.8784 6.8784 7.4383 7.4383 8.7631 8.7631 9.3258 9.3258 10.1337 10.1337 10.7674 10.7674 11.3438 11.3438 12.0300 12.0300 12.0309 12.0309 k = 0.0000 0.4483-0.0000 ( 5966 PWs) bands (ev): -18.7264 -18.7264 -18.6263 -18.6263 -18.5468 -18.5468 -8.3302 -8.3302 -7.4612 -7.4612 -7.4612 -7.4612 -5.6057 -5.6057 -5.2477 -5.2477 -5.1605 -5.1605 -4.9107 -4.9107 -4.9043 -4.9043 -4.8689 -4.8689 -3.8156 -3.8156 -3.4188 -3.4188 -3.3387 -3.3387 -3.3263 -3.3263 -3.0001 -3.0001 -2.9482 -2.9482 2.3459 2.3459 5.7288 5.7288 6.8308 6.8308 6.8769 6.8769 7.4121 7.4121 8.7518 8.7518 9.3168 9.3168 10.1443 10.1443 10.8165 10.8165 11.4470 11.4470 12.0082 12.0082 12.0428 12.0428 k = 0.0000 0.4655-0.0000 ( 5950 PWs) bands (ev): -18.7242 -18.7242 -18.6285 -18.6285 -18.5468 -18.5468 -8.3334 -8.3334 -7.4612 -7.4612 -7.4612 -7.4612 -5.6058 -5.6058 -5.2343 -5.2343 -5.1713 -5.1713 -4.9108 -4.9108 -4.9045 -4.9045 -4.8684 -4.8684 -3.8151 -3.8151 -3.4115 -3.4115 -3.3336 -3.3336 -3.3314 -3.3314 -3.0037 -3.0037 -2.9494 -2.9494 2.3525 2.3525 5.7127 5.7127 6.8294 6.8294 6.8758 6.8758 7.3932 7.3932 8.7436 8.7436 9.3103 9.3103 10.1521 10.1521 10.8537 10.8537 11.5508 11.5508 11.9688 11.9688 11.9919 11.9919 k = 0.0000 0.4828-0.0000 ( 5942 PWs) bands (ev): -18.7228 -18.7228 -18.6299 -18.6299 -18.5468 -18.5468 -8.3353 -8.3353 -7.4613 -7.4613 -7.4612 -7.4612 -5.6059 -5.6059 -5.2232 -5.2232 -5.1808 -5.1808 -4.9109 -4.9109 -4.9047 -4.9047 -4.8681 -4.8681 -3.8148 -3.8148 -3.4062 -3.4062 -3.3388 -3.3388 -3.3269 -3.3269 -3.0059 -3.0059 -2.9501 -2.9501 2.3565 2.3565 5.7030 5.7030 6.8285 6.8285 6.8751 6.8751 7.3818 7.3818 8.7388 8.7388 9.3064 9.3064 10.1568 10.1568 10.8769 10.8769 11.6530 11.6530 11.8754 11.8754 11.9819 11.9819 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -18.7223 -18.7223 -18.6303 -18.6303 -18.5468 -18.5468 -8.3359 -8.3359 -7.4613 -7.4613 -7.4613 -7.4613 -5.6059 -5.6059 -5.2181 -5.2181 -5.1853 -5.1853 -4.9109 -4.9109 -4.9047 -4.9047 -4.8680 -4.8680 -3.8147 -3.8147 -3.4042 -3.4042 -3.3408 -3.3408 -3.3254 -3.3254 -3.0066 -3.0066 -2.9504 -2.9504 2.3579 2.3579 5.6998 5.6998 6.8283 6.8283 6.8749 6.8749 7.3780 7.3780 8.7371 8.7371 9.3051 9.3051 10.1584 10.1584 10.8848 10.8848 11.7259 11.7259 11.8047 11.8047 11.9786 11.9786 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -18.7223 -18.7223 -18.6303 -18.6303 -18.5468 -18.5468 -8.3359 -8.3359 -7.4613 -7.4613 -7.4613 -7.4613 -5.6059 -5.6059 -5.2181 -5.2181 -5.1853 -5.1853 -4.9109 -4.9109 -4.9047 -4.9047 -4.8680 -4.8680 -3.8147 -3.8147 -3.4042 -3.4042 -3.3408 -3.3408 -3.3254 -3.3254 -3.0066 -3.0066 -2.9504 -2.9504 2.3579 2.3579 5.6998 5.6998 6.8283 6.8283 6.8749 6.8749 7.3780 7.3780 8.7371 8.7371 9.3051 9.3051 10.1584 10.1584 10.8848 10.8848 11.7259 11.7259 11.8047 11.8047 11.9786 11.9786 k = 0.0172 0.5000-0.0000 ( 5942 PWs) bands (ev): -18.7222 -18.7222 -18.6303 -18.6303 -18.5469 -18.5469 -8.3367 -8.3367 -7.4613 -7.4613 -7.4612 -7.4612 -5.6053 -5.6053 -5.2201 -5.2201 -5.1834 -5.1834 -4.9108 -4.9108 -4.9047 -4.9047 -4.8680 -4.8680 -3.8137 -3.8137 -3.4066 -3.4066 -3.3449 -3.3449 -3.3188 -3.3188 -3.0065 -3.0065 -2.9506 -2.9506 2.3580 2.3580 5.6993 5.6993 6.8256 6.8256 6.8725 6.8725 7.3802 7.3802 8.7354 8.7354 9.3024 9.3024 10.1613 10.1613 10.8851 10.8851 11.7236 11.7236 11.8097 11.8097 11.9771 11.9771 k = 0.0345 0.5000-0.0000 ( 5956 PWs) bands (ev): -18.7218 -18.7218 -18.6303 -18.6303 -18.5472 -18.5472 -8.3391 -8.3391 -7.4613 -7.4613 -7.4612 -7.4612 -5.6036 -5.6036 -5.2252 -5.2252 -5.1788 -5.1788 -4.9103 -4.9103 -4.9045 -4.9045 -4.8680 -4.8680 -3.8108 -3.8108 -3.4134 -3.4134 -3.3504 -3.3504 -3.3061 -3.3061 -3.0062 -3.0062 -2.9514 -2.9514 2.3584 2.3584 5.6978 5.6978 6.8167 6.8167 6.8664 6.8664 7.3867 7.3867 8.7302 8.7302 9.2946 9.2946 10.1701 10.1701 10.8862 10.8862 11.7169 11.7169 11.8245 11.8245 11.9727 11.9727 k = 0.0517 0.5000-0.0000 ( 5962 PWs) bands (ev): -18.7211 -18.7211 -18.6303 -18.6303 -18.5478 -18.5478 -8.3430 -8.3430 -7.4613 -7.4613 -7.4612 -7.4612 -5.6008 -5.6008 -5.2319 -5.2319 -5.1727 -5.1727 -4.9095 -4.9095 -4.9043 -4.9043 -4.8679 -4.8679 -3.8060 -3.8060 -3.4232 -3.4232 -3.3545 -3.3545 -3.2916 -3.2916 -3.0057 -3.0057 -2.9527 -2.9527 2.3590 2.3590 5.6953 5.6953 6.7994 6.7994 6.8593 6.8593 7.3973 7.3973 8.7218 8.7218 9.2817 9.2817 10.1846 10.1846 10.8879 10.8879 11.7058 11.7058 11.8488 11.8488 11.9659 11.9659 k = 0.0690 0.5000-0.0000 ( 5960 PWs) bands (ev): -18.7202 -18.7202 -18.6303 -18.6303 -18.5487 -18.5487 -8.3483 -8.3483 -7.4613 -7.4613 -7.4611 -7.4611 -5.5970 -5.5970 -5.2395 -5.2395 -5.1661 -5.1661 -4.9086 -4.9086 -4.9038 -4.9038 -4.8679 -4.8679 -3.7993 -3.7993 -3.4347 -3.4347 -3.3575 -3.3575 -3.2760 -3.2760 -3.0050 -3.0050 -2.9543 -2.9543 2.3599 2.3599 5.6919 5.6919 6.7723 6.7723 6.8527 6.8527 7.4119 7.4119 8.7103 8.7103 9.2642 9.2642 10.2048 10.2048 10.8906 10.8906 11.6907 11.6907 11.8821 11.8821 11.9571 11.9571 k = 0.0862 0.5000-0.0000 ( 5972 PWs) bands (ev): -18.7190 -18.7190 -18.6302 -18.6302 -18.5498 -18.5498 -8.3550 -8.3550 -7.4613 -7.4613 -7.4611 -7.4611 -5.5921 -5.5921 -5.2474 -5.2474 -5.1594 -5.1594 -4.9075 -4.9075 -4.9031 -4.9031 -4.8679 -4.8679 -3.7908 -3.7908 -3.4472 -3.4472 -3.3600 -3.3600 -3.2600 -3.2600 -3.0041 -3.0041 -2.9564 -2.9564 2.3610 2.3610 5.6876 5.6876 6.7363 6.7363 6.8469 6.8469 7.4302 7.4302 8.6960 8.6960 9.2426 9.2426 10.2307 10.2307 10.8944 10.8944 11.6718 11.6718 11.9233 11.9233 11.9476 11.9476 k = 0.1034 0.5000-0.0000 ( 5964 PWs) bands (ev): -18.7175 -18.7175 -18.6302 -18.6302 -18.5511 -18.5511 -8.3630 -8.3630 -7.4614 -7.4614 -7.4610 -7.4610 -5.5864 -5.5864 -5.2556 -5.2556 -5.1528 -5.1528 -4.9066 -4.9066 -4.9019 -4.9019 -4.8678 -4.8678 -3.7806 -3.7806 -3.4599 -3.4599 -3.3622 -3.3622 -3.2438 -3.2438 -3.0031 -3.0031 -2.9587 -2.9587 2.3623 2.3623 5.6824 5.6824 6.6924 6.6924 6.8413 6.8413 7.4518 7.4518 8.6794 8.6794 9.2174 9.2174 10.2621 10.2621 10.8994 10.8994 11.6494 11.6494 11.9351 11.9351 11.9745 11.9745 k = 0.1207 0.5000-0.0000 ( 5964 PWs) bands (ev): -18.7158 -18.7158 -18.6301 -18.6301 -18.5526 -18.5526 -8.3722 -8.3722 -7.4614 -7.4614 -7.4609 -7.4609 -5.5799 -5.5799 -5.2640 -5.2640 -5.1463 -5.1463 -4.9059 -4.9059 -4.9002 -4.9002 -4.8676 -4.8676 -3.7688 -3.7688 -3.4725 -3.4725 -3.3644 -3.3644 -3.2277 -3.2277 -3.0020 -3.0020 -2.9611 -2.9611 2.3639 2.3639 5.6765 5.6765 6.6419 6.6419 6.8356 6.8356 7.4766 7.4766 8.6607 8.6607 9.1892 9.1892 10.2989 10.2989 10.9059 10.9059 11.6241 11.6241 11.9245 11.9245 12.0308 12.0308 k = 0.1379 0.5000-0.0000 ( 5964 PWs) bands (ev): -18.7138 -18.7138 -18.6301 -18.6301 -18.5544 -18.5544 -8.3824 -8.3824 -7.4614 -7.4614 -7.4608 -7.4608 -5.5727 -5.5727 -5.2723 -5.2723 -5.1400 -5.1400 -4.9053 -4.9053 -4.8981 -4.8981 -4.8674 -4.8674 -3.7555 -3.7555 -3.4848 -3.4848 -3.3666 -3.3666 -3.2119 -3.2119 -3.0008 -3.0008 -2.9635 -2.9635 2.3656 2.3656 5.6698 5.6698 6.5857 6.5857 6.8298 6.8298 7.5042 7.5042 8.6405 8.6405 9.1585 9.1585 10.3408 10.3408 10.9141 10.9141 11.5965 11.5965 11.9141 11.9141 12.0934 12.0934 k = 0.1552 0.5000-0.0000 ( 5968 PWs) bands (ev): -18.7116 -18.7116 -18.6300 -18.6300 -18.5564 -18.5564 -8.3935 -8.3935 -7.4615 -7.4615 -7.4607 -7.4607 -5.5650 -5.5650 -5.2807 -5.2807 -5.1340 -5.1340 -4.9049 -4.9049 -4.8956 -4.8956 -4.8671 -4.8671 -3.7410 -3.7410 -3.4965 -3.4965 -3.3688 -3.3688 -3.1966 -3.1966 -2.9998 -2.9998 -2.9655 -2.9655 2.3675 2.3675 5.6625 5.6625 6.5249 6.5249 6.8236 6.8236 7.5342 7.5342 8.6193 8.6193 9.1260 9.1260 10.3879 10.3879 10.9242 10.9242 11.5672 11.5672 11.9045 11.9045 12.1614 12.1614 k = 0.1724 0.5000-0.0000 ( 5974 PWs) bands (ev): -18.7091 -18.7091 -18.6299 -18.6299 -18.5586 -18.5586 -8.4052 -8.4052 -7.4615 -7.4615 -7.4606 -7.4606 -5.5568 -5.5568 -5.2890 -5.2890 -5.1285 -5.1285 -4.9045 -4.9045 -4.8929 -4.8929 -4.8666 -4.8666 -3.7253 -3.7253 -3.5077 -3.5077 -3.3711 -3.3711 -3.1820 -3.1820 -2.9990 -2.9990 -2.9667 -2.9667 2.3695 2.3695 5.6546 5.6546 6.4604 6.4604 6.8173 6.8173 7.5664 7.5664 8.5977 8.5977 9.0922 9.0922 10.4397 10.4397 10.9363 10.9363 11.5369 11.5369 11.8959 11.8959 12.2337 12.2337 k = 0.1897 0.5000-0.0000 ( 5970 PWs) bands (ev): -18.7064 -18.7064 -18.6299 -18.6299 -18.5610 -18.5610 -8.4176 -8.4176 -7.4616 -7.4616 -7.4605 -7.4605 -5.5483 -5.5483 -5.2973 -5.2973 -5.1233 -5.1233 -4.9042 -4.9042 -4.8900 -4.8900 -4.8660 -4.8660 -3.7087 -3.7087 -3.5182 -3.5182 -3.3734 -3.3734 -3.1684 -3.1684 -2.9988 -2.9988 -2.9669 -2.9669 2.3716 2.3716 5.6463 5.6463 6.3931 6.3931 6.8108 6.8108 7.6002 7.6002 8.5760 8.5760 9.0576 9.0576 10.4963 10.4963 10.9505 10.9505 11.5064 11.5064 11.8886 11.8886 12.3091 12.3091 k = 0.2069 0.5000-0.0000 ( 5970 PWs) bands (ev): -18.7035 -18.7035 -18.6298 -18.6298 -18.5637 -18.5637 -8.4304 -8.4304 -7.4616 -7.4616 -7.4604 -7.4604 -5.5395 -5.5395 -5.3053 -5.3053 -5.1185 -5.1185 -4.9039 -4.9039 -4.8871 -4.8871 -4.8651 -4.8651 -3.6916 -3.6916 -3.5278 -3.5278 -3.3758 -3.3758 -3.1560 -3.1560 -2.9990 -2.9990 -2.9658 -2.9658 2.3738 2.3738 5.6376 5.6376 6.3238 6.3238 6.8042 6.8042 7.6352 7.6352 8.5550 8.5550 9.0228 9.0228 10.5572 10.5572 10.9670 10.9670 11.4765 11.4765 11.8826 11.8826 12.3858 12.3858 k = 0.2241 0.5000-0.0000 ( 5974 PWs) bands (ev): -18.7004 -18.7004 -18.6297 -18.6297 -18.5665 -18.5665 -8.4434 -8.4434 -7.4617 -7.4617 -7.4603 -7.4603 -5.5307 -5.5307 -5.3132 -5.3132 -5.1142 -5.1142 -4.9036 -4.9036 -4.8842 -4.8842 -4.8640 -4.8640 -3.6742 -3.6742 -3.5363 -3.5363 -3.3783 -3.3783 -3.1452 -3.1452 -2.9996 -2.9996 -2.9631 -2.9631 2.3762 2.3762 5.6286 5.6286 6.2534 6.2534 6.7975 6.7975 7.6708 7.6708 8.5352 8.5352 8.9881 8.9881 10.6223 10.6223 10.9858 10.9858 11.4477 11.4477 11.8778 11.8778 12.4533 12.4533 k = 0.2414 0.5000-0.0000 ( 5986 PWs) bands (ev): -18.6971 -18.6971 -18.6296 -18.6296 -18.5695 -18.5695 -8.4565 -8.4565 -7.4617 -7.4617 -7.4602 -7.4602 -5.5218 -5.5218 -5.3208 -5.3208 -5.1104 -5.1104 -4.9034 -4.9034 -4.8815 -4.8815 -4.8626 -4.8626 -3.6571 -3.6571 -3.5436 -3.5436 -3.3806 -3.3806 -3.1361 -3.1361 -3.0004 -3.0004 -2.9590 -2.9590 2.3785 2.3785 5.6195 5.6195 6.1827 6.1827 6.7908 6.7908 7.7063 7.7063 8.5171 8.5171 8.9540 8.9540 10.6914 10.6914 11.0068 11.0068 11.4209 11.4209 11.8742 11.8742 12.4722 12.4722 k = 0.2586 0.5000-0.0000 ( 5988 PWs) bands (ev): -18.6936 -18.6936 -18.6296 -18.6296 -18.5727 -18.5727 -8.4695 -8.4695 -7.4618 -7.4618 -7.4600 -7.4600 -5.5130 -5.5130 -5.3282 -5.3282 -5.1071 -5.1071 -4.9032 -4.9032 -4.8790 -4.8790 -4.8608 -4.8608 -3.6408 -3.6408 -3.5491 -3.5491 -3.3830 -3.3830 -3.1290 -3.1290 -3.0009 -3.0009 -2.9536 -2.9536 2.3809 2.3809 5.6104 5.6104 6.1125 6.1125 6.7843 6.7843 7.7410 7.7410 8.5014 8.5014 8.9209 8.9209 10.7640 10.7640 11.0300 11.0300 11.3964 11.3964 11.8716 11.8716 12.4781 12.4781 k = 0.2759 0.5000-0.0000 ( 5992 PWs) bands (ev): -18.6900 -18.6900 -18.6295 -18.6295 -18.5761 -18.5761 -8.4823 -8.4823 -7.4618 -7.4618 -7.4599 -7.4599 -5.5044 -5.5044 -5.3352 -5.3352 -5.1043 -5.1043 -4.9030 -4.9030 -4.8767 -4.8767 -4.8585 -4.8585 -3.6267 -3.6267 -3.5521 -3.5521 -3.3851 -3.3851 -3.1239 -3.1239 -3.0011 -3.0011 -2.9471 -2.9471 2.3832 2.3832 5.6012 5.6012 6.0436 6.0436 6.7779 6.7779 7.7742 7.7742 8.4886 8.4886 8.8891 8.8891 10.8400 10.8400 11.0553 11.0553 11.3748 11.3748 11.8699 11.8699 12.4811 12.4811 k = 0.2931 0.5000-0.0000 ( 5992 PWs) bands (ev): -18.6861 -18.6861 -18.6294 -18.6294 -18.5797 -18.5797 -8.4947 -8.4947 -7.4619 -7.4619 -7.4598 -7.4598 -5.4961 -5.4961 -5.3419 -5.3419 -5.1019 -5.1019 -4.9029 -4.9029 -4.8749 -4.8749 -4.8559 -4.8559 -3.6160 -3.6160 -3.5512 -3.5512 -3.3872 -3.3872 -3.1208 -3.1208 -3.0007 -3.0007 -2.9397 -2.9397 2.3855 2.3855 5.5923 5.5923 5.9767 5.9767 6.7717 6.7717 7.8051 7.8051 8.4792 8.4792 8.8589 8.8589 10.9190 10.9190 11.0824 11.0824 11.3566 11.3566 11.8690 11.8690 12.4800 12.4800 k = 0.3103 0.5000-0.0000 ( 5998 PWs) bands (ev): -18.6821 -18.6821 -18.6293 -18.6293 -18.5834 -18.5834 -8.5067 -8.5067 -7.4619 -7.4619 -7.4597 -7.4597 -5.4881 -5.4881 -5.3482 -5.3482 -5.1000 -5.1000 -4.9028 -4.9028 -4.8733 -4.8733 -4.8531 -4.8531 -3.6101 -3.6101 -3.5457 -3.5457 -3.3889 -3.3889 -3.1195 -3.1195 -2.9999 -2.9999 -2.9316 -2.9316 2.3877 2.3877 5.5836 5.5836 5.9125 5.9125 6.7658 6.7658 7.8330 7.8330 8.4735 8.4735 8.8307 8.8307 11.0007 11.0007 11.1109 11.1109 11.3422 11.3422 11.8688 11.8688 12.4715 12.4715 k = 0.3276 0.5000-0.0000 ( 6000 PWs) bands (ev): -18.6780 -18.6780 -18.6293 -18.6293 -18.5873 -18.5873 -8.5180 -8.5180 -7.4620 -7.4620 -7.4596 -7.4596 -5.4806 -5.4806 -5.3541 -5.3541 -5.0985 -5.0985 -4.9028 -4.9028 -4.8719 -4.8719 -4.8501 -4.8501 -3.6083 -3.6083 -3.5362 -3.5362 -3.3904 -3.3904 -3.1196 -3.1196 -2.9986 -2.9986 -2.9231 -2.9231 2.3899 2.3899 5.5753 5.5753 5.8516 5.8516 6.7602 6.7602 7.8572 7.8572 8.4717 8.4717 8.8046 8.8046 11.0846 11.0846 11.1405 11.1405 11.3320 11.3320 11.8691 11.8691 12.4539 12.4539 k = 0.3448 0.5000-0.0000 ( 5996 PWs) bands (ev): -18.6738 -18.6738 -18.6292 -18.6292 -18.5913 -18.5913 -8.5286 -8.5286 -7.4620 -7.4620 -7.4595 -7.4595 -5.4735 -5.4735 -5.3595 -5.3595 -5.0973 -5.0973 -4.9028 -4.9028 -4.8708 -4.8708 -4.8471 -4.8471 -3.6090 -3.6090 -3.5249 -3.5249 -3.3914 -3.3914 -3.1209 -3.1209 -2.9971 -2.9971 -2.9144 -2.9144 2.3919 2.3919 5.5674 5.5674 5.7947 5.7947 6.7551 6.7551 7.8775 7.8775 8.4735 8.4735 8.7809 8.7809 11.1690 11.1690 11.1717 11.1717 11.3263 11.3263 11.8697 11.8697 12.4291 12.4291 k = 0.3621 0.5000-0.0000 ( 5996 PWs) bands (ev): -18.6694 -18.6694 -18.6291 -18.6291 -18.5954 -18.5954 -8.5383 -8.5383 -7.4620 -7.4620 -7.4594 -7.4594 -5.4670 -5.4670 -5.3643 -5.3643 -5.0965 -5.0965 -4.9028 -4.9028 -4.8698 -4.8698 -4.8441 -4.8441 -3.6108 -3.6108 -3.5132 -3.5132 -3.3919 -3.3919 -3.1231 -3.1231 -2.9955 -2.9955 -2.9057 -2.9057 2.3938 2.3938 5.5600 5.5600 5.7422 5.7422 6.7503 6.7503 7.8939 7.8939 8.4785 8.4785 8.7599 8.7599 11.2001 11.2001 11.2560 11.2560 11.3265 11.3265 11.8705 11.8705 12.3983 12.3983 k = 0.3793 0.5000-0.0000 ( 5994 PWs) bands (ev): -18.6650 -18.6650 -18.6291 -18.6291 -18.5997 -18.5997 -8.5472 -8.5472 -7.4621 -7.4621 -7.4593 -7.4593 -5.4612 -5.4612 -5.3687 -5.3687 -5.0959 -5.0959 -4.9028 -4.9028 -4.8690 -4.8690 -4.8413 -4.8413 -3.6131 -3.6131 -3.5023 -3.5023 -3.3919 -3.3919 -3.1257 -3.1257 -2.9938 -2.9938 -2.8975 -2.8975 2.3955 2.3955 5.5532 5.5532 5.6948 5.6948 6.7460 6.7460 7.9064 7.9064 8.4858 8.4858 8.7419 8.7419 11.2285 11.2285 11.3193 11.3193 11.3547 11.3547 11.8715 11.8715 12.3617 12.3617 k = 0.3966 0.5000-0.0000 ( 5988 PWs) bands (ev): -18.6604 -18.6604 -18.6290 -18.6290 -18.6040 -18.6040 -8.5550 -8.5550 -7.4621 -7.4621 -7.4592 -7.4592 -5.4560 -5.4560 -5.3725 -5.3725 -5.0955 -5.0955 -4.9028 -4.9028 -4.8682 -4.8682 -4.8388 -4.8388 -3.6153 -3.6153 -3.4926 -3.4926 -3.3914 -3.3914 -3.1285 -3.1285 -2.9922 -2.9922 -2.8898 -2.8898 2.3970 2.3970 5.5471 5.5471 5.6528 5.6528 6.7423 6.7423 7.9156 7.9156 8.4944 8.4944 8.7269 8.7269 11.2543 11.2543 11.3326 11.3326 11.4380 11.4380 11.8724 11.8724 12.3199 12.3199 k = 0.4138 0.5000-0.0000 ( 5984 PWs) bands (ev): -18.6558 -18.6558 -18.6290 -18.6290 -18.6084 -18.6084 -8.5618 -8.5618 -7.4621 -7.4621 -7.4592 -7.4592 -5.4515 -5.4515 -5.3758 -5.3758 -5.0953 -5.0953 -4.9028 -4.9028 -4.8676 -4.8676 -4.8365 -4.8365 -3.6173 -3.6173 -3.4846 -3.4846 -3.3903 -3.3903 -3.1313 -3.1313 -2.9907 -2.9907 -2.8829 -2.8829 2.3983 2.3983 5.5415 5.5415 5.6169 5.6169 6.7390 6.7390 7.9220 7.9220 8.5032 8.5032 8.7150 8.7150 11.2766 11.2766 11.3457 11.3457 11.5254 11.5254 11.8733 11.8733 12.2735 12.2735 k = 0.4310 0.5000-0.0000 ( 5984 PWs) bands (ev): -18.6512 -18.6512 -18.6289 -18.6289 -18.6129 -18.6129 -8.5674 -8.5674 -7.4622 -7.4622 -7.4591 -7.4591 -5.4478 -5.4478 -5.3784 -5.3784 -5.0952 -5.0952 -4.9028 -4.9028 -4.8672 -4.8672 -4.8346 -4.8346 -3.6191 -3.6191 -3.4782 -3.4782 -3.3889 -3.3889 -3.1339 -3.1339 -2.9895 -2.9895 -2.8770 -2.8770 2.3994 2.3994 5.5365 5.5365 5.5874 5.5874 6.7363 6.7363 7.9263 7.9263 8.5111 8.5111 8.7062 8.7062 11.2951 11.2951 11.3610 11.3610 11.6118 11.6118 11.8741 11.8741 12.2238 12.2238 k = 0.4483 0.5000-0.0000 ( 5988 PWs) bands (ev): -18.6466 -18.6466 -18.6289 -18.6289 -18.6175 -18.6175 -8.5718 -8.5718 -7.4622 -7.4622 -7.4591 -7.4591 -5.4449 -5.4449 -5.3805 -5.3805 -5.0952 -5.0952 -4.9029 -4.9029 -4.8668 -4.8668 -4.8330 -4.8330 -3.6204 -3.6204 -3.4735 -3.4735 -3.3874 -3.3874 -3.1361 -3.1361 -2.9885 -2.9885 -2.8722 -2.8722 2.4003 2.4003 5.5316 5.5316 5.5650 5.5650 6.7342 6.7342 7.9291 7.9291 8.5176 8.5176 8.7001 8.7001 11.3098 11.3098 11.3764 11.3764 11.6954 11.6954 11.8750 11.8750 12.1716 12.1716 k = 0.4655 0.5000-0.0000 ( 5984 PWs) bands (ev): -18.6420 -18.6420 -18.6289 -18.6289 -18.6220 -18.6220 -8.5749 -8.5749 -7.4622 -7.4622 -7.4590 -7.4590 -5.4428 -5.4428 -5.3820 -5.3820 -5.0952 -5.0952 -4.9029 -4.9029 -4.8665 -4.8665 -4.8319 -4.8319 -3.6214 -3.6214 -3.4704 -3.4704 -3.3860 -3.3860 -3.1377 -3.1377 -2.9877 -2.9877 -2.8688 -2.8688 2.4009 2.4009 5.5265 5.5265 5.5505 5.5505 6.7327 6.7327 7.9307 7.9307 8.5223 8.5223 8.6964 8.6964 11.3208 11.3208 11.3894 11.3894 11.7727 11.7727 11.8768 11.8768 12.1175 12.1175 k = 0.4828 0.5000-0.0000 ( 6000 PWs) bands (ev): -18.6376 -18.6376 -18.6289 -18.6289 -18.6263 -18.6263 -8.5769 -8.5769 -7.4622 -7.4622 -7.4590 -7.4590 -5.4416 -5.4416 -5.3829 -5.3829 -5.0952 -5.0952 -4.9029 -4.9029 -4.8663 -4.8663 -4.8312 -4.8312 -3.6220 -3.6220 -3.4685 -3.4685 -3.3851 -3.3851 -3.1388 -3.1388 -2.9873 -2.9873 -2.8666 -2.8666 2.4013 2.4013 5.5219 5.5219 5.5433 5.5433 6.7318 6.7318 7.9315 7.9315 8.5250 8.5250 8.6945 8.6945 11.3278 11.3278 11.3980 11.3980 11.8331 11.8331 11.8839 11.8839 12.0657 12.0657 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -18.6351 -18.6351 -18.6289 -18.6289 -18.6289 -18.6289 -8.5775 -8.5775 -7.4622 -7.4622 -7.4590 -7.4590 -5.4411 -5.4411 -5.3832 -5.3832 -5.0952 -5.0952 -4.9029 -4.9029 -4.8663 -4.8663 -4.8310 -4.8310 -3.6222 -3.6222 -3.4679 -3.4679 -3.3848 -3.3848 -3.1391 -3.1391 -2.9871 -2.9871 -2.8659 -2.8659 2.4014 2.4014 5.5200 5.5200 5.5413 5.5413 6.7315 6.7315 7.9317 7.9317 8.5259 8.5259 8.6939 8.6939 11.3302 11.3302 11.4011 11.4011 11.8526 11.8526 11.8969 11.8969 12.0385 12.0385 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -18.6351 -18.6351 -18.6289 -18.6289 -18.6289 -18.6289 -8.5775 -8.5775 -7.4622 -7.4622 -7.4590 -7.4590 -5.4411 -5.4411 -5.3832 -5.3832 -5.0952 -5.0952 -4.9029 -4.9029 -4.8663 -4.8663 -4.8310 -4.8310 -3.6222 -3.6222 -3.4679 -3.4679 -3.3848 -3.3848 -3.1391 -3.1391 -2.9871 -2.9871 -2.8659 -2.8659 2.4014 2.4014 5.5200 5.5200 5.5413 5.5413 6.7315 6.7315 7.9317 7.9317 8.5259 8.5259 8.6939 8.6939 11.3302 11.3302 11.4011 11.4011 11.8526 11.8526 11.8969 11.8969 12.0385 12.0385 k = 0.4878 0.4878-0.0000 ( 5992 PWs) bands (ev): -18.6377 -18.6377 -18.6288 -18.6288 -18.6264 -18.6264 -8.5769 -8.5769 -7.4622 -7.4622 -7.4590 -7.4590 -5.4416 -5.4416 -5.3829 -5.3829 -5.0952 -5.0952 -4.9029 -4.9029 -4.8663 -4.8663 -4.8312 -4.8312 -3.6220 -3.6220 -3.4685 -3.4685 -3.3851 -3.3851 -3.1388 -3.1388 -2.9873 -2.9873 -2.8666 -2.8666 2.4013 2.4013 5.5220 5.5220 5.5432 5.5432 6.7318 6.7318 7.9315 7.9315 8.5250 8.5250 8.6945 8.6945 11.3276 11.3276 11.3983 11.3983 11.8358 11.8358 11.8804 11.8804 12.0664 12.0664 k = 0.4756 0.4756-0.0000 ( 5976 PWs) bands (ev): -18.6422 -18.6422 -18.6284 -18.6284 -18.6223 -18.6223 -8.5749 -8.5749 -7.4622 -7.4622 -7.4590 -7.4590 -5.4428 -5.4428 -5.3820 -5.3820 -5.0952 -5.0952 -4.9029 -4.9029 -4.8665 -4.8665 -4.8319 -4.8319 -3.6214 -3.6214 -3.4703 -3.4703 -3.3861 -3.3861 -3.1377 -3.1377 -2.9877 -2.9877 -2.8687 -2.8687 2.4009 2.4009 5.5281 5.5281 5.5490 5.5490 6.7327 6.7327 7.9307 7.9307 8.5224 8.5224 8.6963 8.6963 11.3170 11.3170 11.3930 11.3930 11.7882 11.7882 11.8549 11.8549 12.1227 12.1227 k = 0.4634 0.4634-0.0000 ( 5984 PWs) bands (ev): -18.6470 -18.6470 -18.6278 -18.6278 -18.6181 -18.6181 -8.5717 -8.5717 -7.4622 -7.4622 -7.4590 -7.4590 -5.4448 -5.4448 -5.3807 -5.3807 -5.0951 -5.0951 -4.9029 -4.9029 -4.8668 -4.8668 -4.8330 -4.8330 -3.6205 -3.6205 -3.4732 -3.4732 -3.3878 -3.3878 -3.1360 -3.1360 -2.9886 -2.9886 -2.8721 -2.8721 2.4002 2.4002 5.5381 5.5381 5.5587 5.5587 6.7342 6.7342 7.9294 7.9294 8.5181 8.5181 8.6997 8.6997 11.2938 11.2938 11.3914 11.3914 11.7284 11.7284 11.8236 11.8236 12.1840 12.1840 k = 0.4512 0.4512-0.0000 ( 5976 PWs) bands (ev): -18.6521 -18.6521 -18.6270 -18.6270 -18.6140 -18.6140 -8.5673 -8.5673 -7.4622 -7.4622 -7.4591 -7.4591 -5.4474 -5.4474 -5.3790 -5.3790 -5.0951 -5.0951 -4.9028 -4.9028 -4.8672 -4.8672 -4.8346 -4.8346 -3.6191 -3.6191 -3.4772 -3.4772 -3.3901 -3.3901 -3.1338 -3.1338 -2.9898 -2.9898 -2.8767 -2.8767 2.3992 2.3992 5.5518 5.5518 5.5724 5.5724 6.7364 6.7364 7.9274 7.9274 8.5125 8.5125 8.7050 8.7050 11.2571 11.2571 11.3960 11.3960 11.6662 11.6662 11.7831 11.7831 12.2441 12.2441 k = 0.4390 0.4390-0.0000 ( 5976 PWs) bands (ev): -18.6573 -18.6573 -18.6260 -18.6260 -18.6099 -18.6099 -8.5616 -8.5616 -7.4621 -7.4621 -7.4591 -7.4591 -5.4506 -5.4506 -5.3770 -5.3770 -5.0951 -5.0951 -4.9028 -4.9028 -4.8677 -4.8677 -4.8365 -4.8365 -3.6175 -3.6175 -3.4823 -3.4823 -3.3930 -3.3930 -3.1311 -3.1311 -2.9915 -2.9915 -2.8821 -2.8821 2.3978 2.3978 5.5690 5.5690 5.5901 5.5901 6.7391 6.7391 7.9247 7.9247 8.5061 8.5061 8.7124 8.7124 11.2100 11.2100 11.4054 11.4054 11.6045 11.6045 11.7335 11.7335 12.3039 12.3039 k = 0.4268 0.4268-0.0000 ( 5984 PWs) bands (ev): -18.6627 -18.6627 -18.6247 -18.6247 -18.6061 -18.6061 -8.5547 -8.5547 -7.4621 -7.4621 -7.4592 -7.4592 -5.4544 -5.4544 -5.3748 -5.3748 -5.0950 -5.0950 -4.9027 -4.9027 -4.8683 -4.8683 -4.8388 -4.8388 -3.6156 -3.6156 -3.4883 -3.4883 -3.3964 -3.3964 -3.1281 -3.1281 -2.9937 -2.9937 -2.8880 -2.8880 2.3958 2.3958 5.5894 5.5894 5.6121 5.6121 6.7423 6.7423 7.9212 7.9212 8.4995 8.4995 8.7221 8.7221 11.1554 11.1554 11.4180 11.4180 11.5444 11.5444 11.6762 11.6762 12.3642 12.3642 k = 0.4146 0.4146-0.0000 ( 5984 PWs) bands (ev): -18.6681 -18.6681 -18.6233 -18.6233 -18.6023 -18.6023 -8.5466 -8.5466 -7.4621 -7.4621 -7.4593 -7.4593 -5.4585 -5.4585 -5.3727 -5.3727 -5.0950 -5.0950 -4.9027 -4.9027 -4.8690 -4.8690 -4.8413 -4.8413 -3.6136 -3.6136 -3.4951 -3.4951 -3.4005 -3.4005 -3.1250 -3.1250 -2.9966 -2.9966 -2.8942 -2.8942 2.3934 2.3934 5.6129 5.6129 5.6381 5.6381 6.7462 6.7462 7.9170 7.9170 8.4936 8.4936 8.7343 8.7343 11.0955 11.0955 11.4319 11.4319 11.4871 11.4871 11.6127 11.6127 12.4228 12.4228 k = 0.4024 0.4024-0.0000 ( 5992 PWs) bands (ev): -18.6737 -18.6737 -18.6216 -18.6216 -18.5987 -18.5987 -8.5374 -8.5374 -7.4620 -7.4620 -7.4593 -7.4593 -5.4630 -5.4630 -5.3706 -5.3706 -5.0950 -5.0950 -4.9026 -4.9026 -4.8699 -4.8699 -4.8442 -4.8442 -3.6115 -3.6115 -3.5027 -3.5027 -3.4050 -3.4050 -3.1220 -3.1220 -3.0001 -3.0001 -2.9002 -2.9002 2.3902 2.3902 5.6392 5.6392 5.6680 5.6680 6.7506 6.7506 7.9121 7.9121 8.4892 8.4892 8.7488 8.7488 11.0317 11.0317 11.4244 11.4244 11.4536 11.4536 11.5451 11.5451 12.4738 12.4738 k = 0.3902 0.3902-0.0000 ( 5990 PWs) bands (ev): -18.6793 -18.6793 -18.6197 -18.6197 -18.5952 -18.5952 -8.5271 -8.5271 -7.4620 -7.4620 -7.4594 -7.4594 -5.4678 -5.4678 -5.3688 -5.3688 -5.0949 -5.0949 -4.9026 -4.9026 -4.8709 -4.8709 -4.8472 -4.8472 -3.6096 -3.6096 -3.5107 -3.5107 -3.4100 -3.4100 -3.1196 -3.1196 -3.0041 -3.0041 -2.9056 -2.9056 2.3863 2.3863 5.6684 5.6684 5.7016 5.7016 6.7554 6.7554 7.9069 7.9069 8.4869 8.4869 8.7656 8.7656 10.9652 10.9652 11.3733 11.3733 11.4518 11.4518 11.4884 11.4884 12.5079 12.5079 k = 0.3780 0.3780-0.0000 ( 5982 PWs) bands (ev): -18.6850 -18.6850 -18.6177 -18.6177 -18.5919 -18.5919 -8.5157 -8.5157 -7.4620 -7.4620 -7.4595 -7.4595 -5.4728 -5.4728 -5.3673 -5.3673 -5.0948 -5.0948 -4.9025 -4.9025 -4.8720 -4.8720 -4.8504 -4.8504 -3.6081 -3.6081 -3.5190 -3.5190 -3.4155 -3.4155 -3.1179 -3.1179 -3.0084 -3.0084 -2.9101 -2.9101 2.3814 2.3814 5.7003 5.7003 5.7386 5.7386 6.7608 6.7608 7.9016 7.9016 8.4873 8.4873 8.7847 8.7847 10.8970 10.8970 11.3217 11.3217 11.3883 11.3883 11.4928 11.4928 12.5139 12.5139 k = 0.3659 0.3659-0.0000 ( 5988 PWs) bands (ev): -18.6907 -18.6907 -18.6155 -18.6155 -18.5887 -18.5887 -8.5033 -8.5033 -7.4619 -7.4619 -7.4596 -7.4596 -5.4781 -5.4781 -5.3664 -5.3664 -5.0945 -5.0945 -4.9024 -4.9024 -4.8732 -4.8732 -4.8536 -4.8536 -3.6076 -3.6076 -3.5270 -3.5270 -3.4214 -3.4214 -3.1177 -3.1177 -3.0125 -3.0125 -2.9135 -2.9135 2.3756 2.3756 5.7349 5.7349 5.7786 5.7786 6.7667 6.7667 7.8969 7.8969 8.4909 8.4909 8.8058 8.8058 10.8278 10.8278 11.2719 11.2719 11.3116 11.3116 11.5077 11.5077 12.4864 12.4864 k = 0.3537 0.3537-0.0000 ( 5996 PWs) bands (ev): -18.6964 -18.6964 -18.6131 -18.6131 -18.5857 -18.5857 -8.4899 -8.4899 -7.4619 -7.4619 -7.4596 -7.4596 -5.4835 -5.4835 -5.3660 -5.3660 -5.0942 -5.0942 -4.9024 -4.9024 -4.8745 -4.8745 -4.8569 -4.8569 -3.6086 -3.6086 -3.5342 -3.5342 -3.4277 -3.4277 -3.1193 -3.1193 -3.0158 -3.0158 -2.9158 -2.9158 2.3687 2.3687 5.7722 5.7722 5.8214 5.8214 6.7729 6.7729 7.8933 7.8933 8.4978 8.4978 8.8289 8.8289 10.7582 10.7582 11.2212 11.2212 11.2354 11.2354 11.5214 11.5214 12.4278 12.4278 k = 0.3415 0.3415-0.0000 ( 5988 PWs) bands (ev): -18.7022 -18.7022 -18.6106 -18.6106 -18.5828 -18.5828 -8.4757 -8.4757 -7.4618 -7.4618 -7.4597 -7.4597 -5.4890 -5.4890 -5.3665 -5.3665 -5.0937 -5.0937 -4.9023 -4.9023 -4.8759 -4.8759 -4.8601 -4.8601 -3.6118 -3.6118 -3.5399 -3.5399 -3.4342 -3.4342 -3.1230 -3.1230 -3.0175 -3.0175 -2.9170 -2.9170 2.3606 2.3606 5.8119 5.8119 5.8668 5.8668 6.7796 6.7796 7.8915 7.8915 8.5081 8.5081 8.8538 8.8538 10.6886 10.6886 11.1489 11.1489 11.1818 11.1818 11.5320 11.5320 12.3450 12.3450 k = 0.3293 0.3293-0.0000 ( 5992 PWs) bands (ev): -18.7080 -18.7080 -18.6080 -18.6080 -18.5801 -18.5801 -8.4606 -8.4606 -7.4617 -7.4617 -7.4597 -7.4597 -5.4947 -5.4947 -5.3678 -5.3678 -5.0929 -5.0929 -4.9023 -4.9023 -4.8774 -4.8774 -4.8632 -4.8632 -3.6179 -3.6179 -3.5437 -3.5437 -3.4411 -3.4411 -3.1289 -3.1289 -3.0175 -3.0175 -2.9173 -2.9173 2.3512 2.3512 5.8539 5.8539 5.9142 5.9142 6.7867 6.7867 7.8922 7.8922 8.5218 8.5218 8.8805 8.8805 10.6195 10.6195 11.0687 11.0687 11.1378 11.1378 11.5381 11.5381 12.2452 12.2452 k = 0.3171 0.3171-0.0000 ( 5986 PWs) bands (ev): -18.7138 -18.7138 -18.6052 -18.6052 -18.5775 -18.5775 -8.4448 -8.4448 -7.4617 -7.4617 -7.4597 -7.4597 -5.5003 -5.5003 -5.3702 -5.3702 -5.0918 -5.0918 -4.9022 -4.9022 -4.8790 -4.8790 -4.8663 -4.8663 -3.6269 -3.6269 -3.5454 -3.5454 -3.4481 -3.4481 -3.1367 -3.1367 -3.0156 -3.0156 -2.9167 -2.9167 2.3405 2.3405 5.8982 5.8982 5.9636 5.9636 6.7941 6.7941 7.8962 7.8962 8.5387 8.5387 8.9087 8.9087 10.5512 10.5512 10.9883 10.9883 11.0960 11.0960 11.5386 11.5386 12.1338 12.1338 k = 0.3049 0.3049-0.0000 ( 5986 PWs) bands (ev): -18.7195 -18.7195 -18.6023 -18.6023 -18.5750 -18.5750 -8.4283 -8.4283 -7.4616 -7.4616 -7.4598 -7.4598 -5.5061 -5.5061 -5.3737 -5.3737 -5.0904 -5.0904 -4.9022 -4.9022 -4.8806 -4.8806 -4.8691 -4.8691 -3.6385 -3.6385 -3.5455 -3.5455 -3.4553 -3.4553 -3.1457 -3.1457 -3.0122 -3.0122 -2.9154 -2.9154 2.3285 2.3285 5.9444 5.9444 6.0145 6.0145 6.8017 6.8017 7.9040 7.9040 8.5587 8.5587 8.9385 8.9385 10.4840 10.4840 10.9084 10.9084 11.0560 11.0560 11.5325 11.5325 12.0147 12.0147 k = 0.2927 0.2927-0.0000 ( 5984 PWs) bands (ev): -18.7252 -18.7252 -18.5994 -18.5994 -18.5726 -18.5726 -8.4113 -8.4113 -7.4615 -7.4615 -7.4598 -7.4598 -5.5118 -5.5118 -5.3784 -5.3784 -5.0885 -5.0885 -4.9021 -4.9021 -4.8822 -4.8822 -4.8718 -4.8718 -3.6521 -3.6521 -3.5445 -3.5445 -3.4627 -3.4627 -3.1554 -3.1554 -3.0074 -3.0074 -2.9135 -2.9135 2.3150 2.3150 5.9925 5.9925 6.0666 6.0666 6.8097 6.8097 7.9162 7.9162 8.5818 8.5818 8.9695 8.9695 10.4181 10.4181 10.8295 10.8295 11.0172 11.0172 11.5193 11.5193 11.8909 11.8909 k = 0.2805 0.2805-0.0000 ( 5976 PWs) bands (ev): -18.7309 -18.7309 -18.5964 -18.5964 -18.5704 -18.5704 -8.3937 -8.3937 -7.4615 -7.4615 -7.4598 -7.4598 -5.5175 -5.5175 -5.3843 -5.3843 -5.0863 -5.0863 -4.9021 -4.9021 -4.8838 -4.8838 -4.8744 -4.8744 -3.6674 -3.6674 -3.5431 -3.5431 -3.4700 -3.4700 -3.1651 -3.1651 -3.0017 -3.0017 -2.9110 -2.9110 2.3002 2.3002 6.0422 6.0422 6.1197 6.1197 6.8178 6.8178 7.9332 7.9332 8.6077 8.6077 9.0018 9.0018 10.3538 10.3538 10.7520 10.7520 10.9794 10.9794 11.4985 11.4985 11.7646 11.7646 k = 0.2683 0.2683-0.0000 ( 5968 PWs) bands (ev): -18.7364 -18.7364 -18.5933 -18.5933 -18.5683 -18.5683 -8.3757 -8.3757 -7.4614 -7.4614 -7.4597 -7.4597 -5.5231 -5.5231 -5.3915 -5.3915 -5.0835 -5.0835 -4.9022 -4.9022 -4.8853 -4.8853 -4.8767 -4.8767 -3.6839 -3.6839 -3.5415 -3.5415 -3.4773 -3.4773 -3.1745 -3.1745 -2.9952 -2.9952 -2.9082 -2.9082 2.2841 2.2841 6.0933 6.0933 6.1734 6.1734 6.8262 6.8262 7.9554 7.9554 8.6364 8.6364 9.0352 9.0352 10.2912 10.2912 10.6761 10.6761 10.9422 10.9422 11.4700 11.4700 11.6378 11.6378 k = 0.2561 0.2561-0.0000 ( 5966 PWs) bands (ev): -18.7419 -18.7419 -18.5902 -18.5902 -18.5663 -18.5663 -8.3574 -8.3574 -7.4613 -7.4613 -7.4597 -7.4597 -5.5287 -5.5287 -5.3998 -5.3998 -5.0804 -5.0804 -4.9022 -4.9022 -4.8868 -4.8868 -4.8790 -4.8790 -3.7013 -3.7013 -3.5401 -3.5401 -3.4846 -3.4846 -3.1831 -3.1831 -2.9881 -2.9881 -2.9050 -2.9050 2.2668 2.2668 6.1456 6.1456 6.2275 6.2275 6.8346 6.8346 7.9829 7.9829 8.6678 8.6678 9.0696 9.0696 10.2305 10.2305 10.6022 10.6022 10.9050 10.9050 11.4327 11.4327 11.5133 11.5133 k = 0.2439 0.2439-0.0000 ( 5964 PWs) bands (ev): -18.7473 -18.7473 -18.5871 -18.5871 -18.5645 -18.5645 -8.3389 -8.3389 -7.4612 -7.4612 -7.4597 -7.4597 -5.5341 -5.5341 -5.4092 -5.4092 -5.0769 -5.0769 -4.9022 -4.9022 -4.8881 -4.8881 -4.8811 -4.8811 -3.7196 -3.7196 -3.5390 -3.5390 -3.4917 -3.4917 -3.1907 -3.1907 -2.9804 -2.9804 -2.9015 -2.9015 2.2483 2.2483 6.1988 6.1988 6.2815 6.2815 6.8432 6.8432 8.0160 8.0160 8.7019 8.7019 9.1049 9.1049 10.1718 10.1718 10.5305 10.5305 10.8674 10.8674 11.3683 11.3683 11.4113 11.4113 k = 0.2317 0.2317-0.0000 ( 5966 PWs) bands (ev): -18.7525 -18.7525 -18.5840 -18.5840 -18.5627 -18.5627 -8.3203 -8.3203 -7.4611 -7.4611 -7.4596 -7.4596 -5.5395 -5.5395 -5.4196 -5.4196 -5.0730 -5.0730 -4.9023 -4.9023 -4.8893 -4.8893 -4.8831 -4.8831 -3.7384 -3.7384 -3.5385 -3.5385 -3.4987 -3.4987 -3.1971 -3.1971 -2.9724 -2.9724 -2.8978 -2.8978 2.2288 2.2288 6.2527 6.2527 6.3354 6.3354 6.8518 6.8518 8.0546 8.0546 8.7387 8.7387 9.1409 9.1409 10.1153 10.1153 10.4611 10.4611 10.8288 10.8288 11.2541 11.2541 11.3563 11.3563 k = 0.2195 0.2195-0.0000 ( 5958 PWs) bands (ev): -18.7576 -18.7576 -18.5809 -18.5809 -18.5611 -18.5611 -8.3016 -8.3016 -7.4609 -7.4609 -7.4596 -7.4596 -5.5447 -5.5447 -5.4309 -5.4309 -5.0688 -5.0688 -4.9024 -4.9024 -4.8904 -4.8904 -4.8850 -4.8850 -3.7575 -3.7575 -3.5385 -3.5385 -3.5054 -3.5054 -3.2024 -3.2024 -2.9641 -2.9641 -2.8939 -2.8939 2.2085 2.2085 6.3069 6.3069 6.3886 6.3886 6.8604 6.8604 8.0986 8.0986 8.7781 8.7781 9.1776 9.1776 10.0610 10.0610 10.3943 10.3943 10.7885 10.7885 11.1355 11.1355 11.3052 11.3052 k = 0.2073 0.2073-0.0000 ( 5964 PWs) bands (ev): -18.7625 -18.7625 -18.5779 -18.5779 -18.5596 -18.5596 -8.2831 -8.2831 -7.4608 -7.4608 -7.4595 -7.4595 -5.5498 -5.5498 -5.4429 -5.4429 -5.0645 -5.0645 -4.9025 -4.9025 -4.8914 -4.8914 -4.8867 -4.8867 -3.7769 -3.7769 -3.5391 -3.5391 -3.5118 -3.5118 -3.2064 -3.2064 -2.9555 -2.9555 -2.8900 -2.8900 2.1876 2.1876 6.3612 6.3612 6.4410 6.4410 6.8690 6.8690 8.1480 8.1480 8.8201 8.8201 9.2149 9.2149 10.0091 10.0091 10.3303 10.3303 10.7457 10.7457 11.0201 11.0201 11.2522 11.2522 k = 0.1951 0.1951-0.0000 ( 5964 PWs) bands (ev): -18.7672 -18.7672 -18.5749 -18.5749 -18.5582 -18.5582 -8.2648 -8.2648 -7.4607 -7.4607 -7.4595 -7.4595 -5.5547 -5.5547 -5.4553 -5.4553 -5.0599 -5.0599 -4.9026 -4.9026 -4.8923 -4.8923 -4.8883 -4.8883 -3.7963 -3.7963 -3.5402 -3.5402 -3.5180 -3.5180 -3.2093 -3.2093 -2.9468 -2.9468 -2.8860 -2.8860 2.1661 2.1661 6.4153 6.4153 6.4923 6.4923 6.8775 6.8775 8.2025 8.2025 8.8647 8.8647 9.2527 9.2527 9.9597 9.9597 10.2692 10.2692 10.6992 10.6992 10.9101 10.9101 11.1978 11.1978 k = 0.1829 0.1829-0.0000 ( 5962 PWs) bands (ev): -18.7718 -18.7718 -18.5720 -18.5720 -18.5568 -18.5568 -8.2467 -8.2467 -7.4605 -7.4605 -7.4594 -7.4594 -5.5594 -5.5594 -5.4682 -5.4682 -5.0552 -5.0552 -4.9027 -4.9027 -4.8932 -4.8932 -4.8898 -4.8898 -3.8155 -3.8155 -3.5419 -3.5419 -3.5238 -3.5238 -3.2111 -3.2111 -2.9379 -2.9379 -2.8821 -2.8821 2.1445 2.1445 6.4687 6.4687 6.5422 6.5422 6.8859 6.8859 8.2617 8.2617 8.9120 8.9120 9.2908 9.2908 9.9128 9.9128 10.2111 10.2111 10.6474 10.6474 10.8074 10.8074 11.1427 11.1427 k = 0.1707 0.1707-0.0000 ( 5966 PWs) bands (ev): -18.7761 -18.7761 -18.5692 -18.5692 -18.5556 -18.5556 -8.2292 -8.2292 -7.4604 -7.4604 -7.4593 -7.4593 -5.5639 -5.5639 -5.4812 -5.4812 -5.0506 -5.0506 -4.9028 -4.9028 -4.8940 -4.8940 -4.8911 -4.8911 -3.8344 -3.8344 -3.5439 -3.5439 -3.5293 -3.5293 -3.2120 -3.2120 -2.9289 -2.9289 -2.8782 -2.8782 2.1228 2.1228 6.5211 6.5211 6.5903 6.5903 6.8941 6.8941 8.3253 8.3253 8.9619 8.9619 9.3293 9.3293 9.8687 9.8687 10.1562 10.1562 10.5877 10.5877 10.7150 10.7150 11.0878 11.0878 k = 0.1585 0.1585-0.0000 ( 5966 PWs) bands (ev): -18.7802 -18.7802 -18.5665 -18.5665 -18.5545 -18.5545 -8.2122 -8.2122 -7.4602 -7.4602 -7.4593 -7.4593 -5.5682 -5.5682 -5.4943 -5.4943 -5.0459 -5.0459 -4.9030 -4.9030 -4.8948 -4.8948 -4.8923 -4.8923 -3.8528 -3.8528 -3.5463 -3.5463 -3.5345 -3.5345 -3.2121 -3.2121 -2.9200 -2.9200 -2.8744 -2.8744 2.1013 2.1013 6.5722 6.5722 6.6366 6.6366 6.9021 6.9021 8.3926 8.3926 9.0142 9.0142 9.3679 9.3679 9.8274 9.8274 10.1046 10.1046 10.5179 10.5179 10.6359 10.6359 11.0338 11.0338 k = 0.1463 0.1463-0.0000 ( 5962 PWs) bands (ev): -18.7841 -18.7841 -18.5640 -18.5640 -18.5535 -18.5535 -8.1958 -8.1958 -7.4600 -7.4600 -7.4592 -7.4592 -5.5723 -5.5723 -5.5072 -5.5072 -5.0413 -5.0413 -4.9031 -4.9031 -4.8956 -4.8956 -4.8934 -4.8934 -3.8705 -3.8705 -3.5489 -3.5489 -3.5393 -3.5393 -3.2116 -3.2116 -2.9111 -2.9111 -2.8707 -2.8707 2.0802 2.0802 6.6215 6.6215 6.6806 6.6806 6.9098 6.9098 8.4633 8.4633 9.0687 9.0687 9.4066 9.4066 9.7891 9.7891 10.0564 10.0564 10.4397 10.4397 10.5690 10.5690 10.9811 10.9811 k = 0.1341 0.1341-0.0000 ( 5962 PWs) bands (ev): -18.7877 -18.7877 -18.5615 -18.5615 -18.5525 -18.5525 -8.1802 -8.1802 -7.4599 -7.4599 -7.4591 -7.4591 -5.5761 -5.5761 -5.5197 -5.5197 -5.0369 -5.0369 -4.9033 -4.9033 -4.8964 -4.8964 -4.8943 -4.8943 -3.8875 -3.8875 -3.5516 -3.5516 -3.5438 -3.5438 -3.2107 -3.2107 -2.9025 -2.9025 -2.8672 -2.8672 2.0598 2.0598 6.6686 6.6686 6.7222 6.7222 6.9173 6.9173 8.5365 8.5365 9.1248 9.1248 9.4452 9.4452 9.7542 9.7542 10.0117 10.0117 10.3583 10.3583 10.5104 10.5104 10.9303 10.9303 k = 0.1220 0.1220-0.0000 ( 5956 PWs) bands (ev): -18.7910 -18.7910 -18.5593 -18.5593 -18.5517 -18.5517 -8.1656 -8.1656 -7.4597 -7.4597 -7.4591 -7.4591 -5.5796 -5.5796 -5.5318 -5.5318 -5.0327 -5.0327 -4.9034 -4.9034 -4.8971 -4.8971 -4.8950 -4.8950 -3.9034 -3.9034 -3.5543 -3.5543 -3.5480 -3.5480 -3.2094 -3.2094 -2.8941 -2.8941 -2.8639 -2.8639 2.0404 2.0404 6.7132 6.7132 6.7611 6.7611 6.9244 6.9244 8.6118 8.6118 9.1819 9.1819 9.4832 9.4832 9.7232 9.7232 9.9707 9.9707 10.2776 10.2776 10.4577 10.4577 10.8815 10.8815 k = 0.1098 0.1098-0.0000 ( 5974 PWs) bands (ev): -18.7940 -18.7940 -18.5572 -18.5572 -18.5509 -18.5509 -8.1519 -8.1519 -7.4596 -7.4596 -7.4590 -7.4590 -5.5829 -5.5829 -5.5432 -5.5432 -5.0287 -5.0287 -4.9037 -4.9037 -4.8977 -4.8977 -4.8958 -4.8958 -3.9182 -3.9182 -3.5569 -3.5569 -3.5518 -3.5518 -3.2079 -3.2079 -2.8861 -2.8861 -2.8609 -2.8609 2.0220 2.0220 6.7547 6.7547 6.7971 6.7971 6.9312 6.9312 8.6884 8.6884 9.2386 9.2386 9.5192 9.5192 9.6974 9.6974 9.9333 9.9333 10.1995 10.1995 10.4111 10.4111 10.8350 10.8350 k = 0.0976 0.0976-0.0000 ( 5968 PWs) bands (ev): -18.7968 -18.7968 -18.5553 -18.5553 -18.5503 -18.5503 -8.1394 -8.1394 -7.4594 -7.4594 -7.4590 -7.4590 -5.5859 -5.5859 -5.5539 -5.5539 -5.0249 -5.0249 -4.9039 -4.9039 -4.8981 -4.8981 -4.8964 -4.8964 -3.9318 -3.9318 -3.5593 -3.5593 -3.5553 -3.5553 -3.2063 -3.2063 -2.8786 -2.8786 -2.8580 -2.8580 2.0050 2.0050 6.7929 6.7929 6.8298 6.8298 6.9378 6.9378 8.7655 8.7655 9.2933 9.2933 9.5503 9.5503 9.6798 9.6798 9.8996 9.8996 10.1245 10.1245 10.3724 10.3724 10.7911 10.7911 k = 0.0854 0.0854-0.0000 ( 5958 PWs) bands (ev): -18.7993 -18.7993 -18.5535 -18.5535 -18.5497 -18.5497 -8.1281 -8.1281 -7.4593 -7.4593 -7.4589 -7.4589 -5.5886 -5.5886 -5.5636 -5.5636 -5.0215 -5.0215 -4.9042 -4.9042 -4.8985 -4.8985 -4.8970 -4.8970 -3.9441 -3.9441 -3.5616 -3.5616 -3.5585 -3.5585 -3.2047 -3.2047 -2.8716 -2.8716 -2.8555 -2.8555 1.9894 1.9894 6.8272 6.8272 6.8590 6.8590 6.9442 6.9442 8.8427 8.8427 9.3438 9.3438 9.5693 9.5693 9.6766 9.6766 9.8698 9.8698 10.0532 10.0532 10.3446 10.3446 10.7501 10.7501 k = 0.0732 0.0732-0.0000 ( 5962 PWs) bands (ev): -18.8014 -18.8014 -18.5520 -18.5520 -18.5492 -18.5492 -8.1180 -8.1180 -7.4591 -7.4591 -7.4589 -7.4589 -5.5909 -5.5909 -5.5723 -5.5723 -5.0184 -5.0184 -4.9045 -4.9045 -4.8988 -4.8988 -4.8976 -4.8976 -3.9550 -3.9550 -3.5635 -3.5635 -3.5612 -3.5612 -3.2032 -3.2032 -2.8654 -2.8654 -2.8533 -2.8533 1.9756 1.9756 6.8574 6.8574 6.8843 6.8843 6.9507 6.9507 8.9191 8.9191 9.3877 9.3877 9.5716 9.5716 9.6912 9.6912 9.8438 9.8438 9.9859 9.9859 10.3314 10.3314 10.7124 10.7124 k = 0.0610 0.0610-0.0000 ( 5974 PWs) bands (ev): -18.8033 -18.8033 -18.5508 -18.5508 -18.5487 -18.5487 -8.1094 -8.1094 -7.4590 -7.4590 -7.4588 -7.4588 -5.5929 -5.5929 -5.5798 -5.5798 -5.0158 -5.0158 -4.9048 -4.9048 -4.8990 -4.8990 -4.8981 -4.8981 -3.9643 -3.9643 -3.5652 -3.5652 -3.5636 -3.5636 -3.2019 -3.2019 -2.8600 -2.8600 -2.8514 -2.8514 1.9636 1.9636 6.8832 6.8832 6.9050 6.9050 6.9575 6.9575 8.9940 8.9940 9.4227 9.4227 9.5632 9.5632 9.7146 9.7146 9.8218 9.8218 9.9237 9.9237 10.3366 10.3366 10.6787 10.6787 k = 0.0488 0.0488-0.0000 ( 5992 PWs) bands (ev): -18.8048 -18.8048 -18.5497 -18.5497 -18.5484 -18.5484 -8.1023 -8.1023 -7.4589 -7.4589 -7.4588 -7.4588 -5.5946 -5.5946 -5.5861 -5.5861 -5.0136 -5.0136 -4.9051 -4.9051 -4.8991 -4.8991 -4.8985 -4.8985 -3.9720 -3.9720 -3.5667 -3.5667 -3.5656 -3.5656 -3.2007 -3.2007 -2.8554 -2.8554 -2.8498 -2.8498 1.9536 1.9536 6.9043 6.9043 6.9206 6.9206 6.9650 6.9650 9.0665 9.0665 9.4476 9.4476 9.5501 9.5501 9.7371 9.7371 9.8037 9.8037 9.8688 9.8688 10.3628 10.3628 10.6496 10.6496 k = 0.0366 0.0366-0.0000 ( 6003 PWs) bands (ev): -18.8060 -18.8060 -18.5488 -18.5488 -18.5481 -18.5481 -8.0966 -8.0966 -7.4589 -7.4589 -7.4588 -7.4588 -5.5959 -5.5959 -5.5911 -5.5911 -5.0118 -5.0118 -4.9054 -4.9054 -4.8992 -4.8992 -4.8988 -4.8988 -3.9781 -3.9781 -3.5678 -3.5678 -3.5672 -3.5672 -3.1997 -3.1997 -2.8517 -2.8517 -2.8485 -2.8485 1.9458 1.9458 6.9208 6.9208 6.9311 6.9311 6.9729 6.9729 9.1351 9.1351 9.4627 9.4627 9.5328 9.5328 9.7541 9.7541 9.7897 9.7897 9.8241 9.8241 10.4102 10.4102 10.6258 10.6258 k = 0.0244 0.0244-0.0000 ( 6023 PWs) bands (ev): -18.8068 -18.8068 -18.5482 -18.5482 -18.5479 -18.5479 -8.0926 -8.0926 -7.4588 -7.4588 -7.4588 -7.4588 -5.5968 -5.5968 -5.5947 -5.5947 -5.0105 -5.0105 -4.9055 -4.9055 -4.8993 -4.8993 -4.8991 -4.8991 -3.9825 -3.9825 -3.5686 -3.5686 -3.5683 -3.5683 -3.1990 -3.1990 -2.8491 -2.8491 -2.8476 -2.8476 1.9401 1.9401 6.9325 6.9325 6.9375 6.9375 6.9799 6.9799 9.1966 9.1966 9.4703 9.4703 9.5101 9.5101 9.7649 9.7649 9.7800 9.7800 9.7926 9.7926 10.4753 10.4753 10.6082 10.6082 k = 0.0122 0.0122-0.0000 ( 6031 PWs) bands (ev): -18.8073 -18.8073 -18.5479 -18.5479 -18.5478 -18.5478 -8.0901 -8.0901 -7.4588 -7.4588 -7.4588 -7.4588 -5.5974 -5.5974 -5.5968 -5.5968 -5.0097 -5.0097 -4.9057 -4.9057 -4.8993 -4.8993 -4.8993 -4.8993 -3.9851 -3.9851 -3.5690 -3.5690 -3.5690 -3.5690 -3.1986 -3.1986 -2.8475 -2.8475 -2.8471 -2.8471 1.9366 1.9366 6.9396 6.9396 6.9409 6.9409 6.9847 6.9847 9.2442 9.2442 9.4734 9.4734 9.4860 9.4860 9.7693 9.7693 9.7746 9.7746 9.7757 9.7757 10.5488 10.5488 10.5973 10.5973 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -18.8075 -18.8075 -18.5478 -18.5478 -18.5478 -18.5478 -8.0893 -8.0893 -7.4588 -7.4588 -7.4588 -7.4588 -5.5976 -5.5976 -5.5976 -5.5976 -5.0095 -5.0095 -4.9057 -4.9057 -4.8993 -4.8993 -4.8993 -4.8993 -3.9860 -3.9860 -3.5692 -3.5692 -3.5692 -3.5692 -3.1985 -3.1985 -2.8469 -2.8469 -2.8469 -2.8469 1.9355 1.9355 6.9419 6.9419 6.9419 6.9419 6.9864 6.9864 9.2637 9.2637 9.4742 9.4742 9.4742 9.4742 9.7693 9.7693 9.7693 9.7693 9.7754 9.7754 10.5936 10.5936 10.5936 10.5936 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -18.8075 -18.8075 -18.5478 -18.5478 -18.5478 -18.5478 -8.0893 -8.0893 -7.4588 -7.4588 -7.4588 -7.4588 -5.5976 -5.5976 -5.5976 -5.5976 -5.0095 -5.0095 -4.9057 -4.9057 -4.8993 -4.8993 -4.8993 -4.8993 -3.9860 -3.9860 -3.5692 -3.5692 -3.5692 -3.5692 -3.1985 -3.1985 -2.8469 -2.8469 -2.8469 -2.8469 1.9355 1.9355 6.9419 6.9419 6.9419 6.9419 6.9864 6.9864 9.2637 9.2637 9.4742 9.4742 9.4742 9.4742 9.7693 9.7693 9.7693 9.7693 9.7754 9.7754 10.5936 10.5936 10.5936 10.5936 k = 0.0100 0.0100 0.0100 ( 6031 PWs) bands (ev): -18.8073 -18.8073 -18.5478 -18.5478 -18.5478 -18.5478 -8.0901 -8.0901 -7.4588 -7.4588 -7.4588 -7.4588 -5.5972 -5.5972 -5.5970 -5.5970 -5.0097 -5.0097 -4.9057 -4.9057 -4.8993 -4.8993 -4.8993 -4.8993 -3.9851 -3.9851 -3.5690 -3.5690 -3.5690 -3.5690 -3.1986 -3.1986 -2.8475 -2.8475 -2.8471 -2.8471 1.9366 1.9366 6.9400 6.9400 6.9404 6.9404 6.9847 6.9847 9.2441 9.2441 9.4726 9.4726 9.4867 9.4867 9.7701 9.7701 9.7727 9.7727 9.7768 9.7768 10.5480 10.5480 10.5979 10.5979 k = 0.0200 0.0200 0.0200 ( 6025 PWs) bands (ev): -18.8068 -18.8068 -18.5481 -18.5481 -18.5481 -18.5481 -8.0926 -8.0926 -7.4588 -7.4588 -7.4588 -7.4588 -5.5963 -5.5963 -5.5951 -5.5951 -5.0105 -5.0105 -4.9055 -4.9055 -4.8993 -4.8993 -4.8991 -4.8991 -3.9824 -3.9824 -3.5685 -3.5685 -3.5683 -3.5683 -3.1991 -3.1991 -2.8492 -2.8492 -2.8475 -2.8475 1.9401 1.9401 6.9344 6.9344 6.9358 6.9358 6.9795 6.9795 9.1968 9.1968 9.4680 9.4680 9.5116 9.5116 9.7705 9.7705 9.7729 9.7729 9.7947 9.7947 10.4734 10.4734 10.6106 10.6106 k = 0.0300 0.0300 0.0300 ( 5995 PWs) bands (ev): -18.8060 -18.8060 -18.5485 -18.5485 -18.5485 -18.5485 -8.0967 -8.0967 -7.4589 -7.4589 -7.4588 -7.4588 -5.5947 -5.5947 -5.5921 -5.5921 -5.0118 -5.0118 -4.9053 -4.9053 -4.8992 -4.8992 -4.8988 -4.8988 -3.9780 -3.9780 -3.5677 -3.5677 -3.5672 -3.5672 -3.1997 -3.1997 -2.8520 -2.8520 -2.8483 -2.8483 1.9458 1.9458 6.9250 6.9250 6.9283 6.9283 6.9710 6.9710 9.1362 9.1362 9.4603 9.4603 9.5305 9.5305 9.7666 9.7666 9.7778 9.7778 9.8268 9.8268 10.4072 10.4072 10.6314 10.6314 k = 0.0400 0.0400 0.0400 ( 5989 PWs) bands (ev): -18.8048 -18.8048 -18.5490 -18.5490 -18.5490 -18.5490 -8.1024 -8.1024 -7.4589 -7.4589 -7.4588 -7.4588 -5.5925 -5.5925 -5.5880 -5.5880 -5.0136 -5.0136 -4.9051 -4.9051 -4.8992 -4.8992 -4.8984 -4.8984 -3.9718 -3.9718 -3.5666 -3.5666 -3.5657 -3.5657 -3.2007 -3.2007 -2.8559 -2.8559 -2.8493 -2.8493 1.9538 1.9538 6.9118 6.9118 6.9178 6.9178 6.9593 6.9593 9.0691 9.0691 9.4497 9.4497 9.5331 9.5331 9.7640 9.7640 9.7852 9.7852 9.8715 9.8715 10.3592 10.3592 10.6599 10.6599 k = 0.0500 0.0500 0.0500 ( 5974 PWs) bands (ev): -18.8032 -18.8032 -18.5498 -18.5498 -18.5498 -18.5498 -8.1097 -8.1097 -7.4590 -7.4590 -7.4588 -7.4588 -5.5897 -5.5897 -5.5827 -5.5827 -5.0158 -5.0158 -4.9048 -4.9048 -4.8991 -4.8991 -4.8980 -4.8980 -3.9639 -3.9639 -3.5653 -3.5653 -3.5637 -3.5637 -3.2018 -3.2018 -2.8608 -2.8608 -2.8506 -2.8506 1.9638 1.9638 6.8949 6.8949 6.9043 6.9043 6.9445 6.9445 8.9983 8.9983 9.4363 9.4363 9.5155 9.5155 9.7660 9.7660 9.7956 9.7956 9.9254 9.9254 10.3333 10.3333 10.6953 10.6953 k = 0.0600 0.0600 0.0600 ( 5956 PWs) bands (ev): -18.8014 -18.8014 -18.5506 -18.5506 -18.5506 -18.5506 -8.1185 -8.1185 -7.4592 -7.4592 -7.4589 -7.4589 -5.5864 -5.5864 -5.5764 -5.5764 -5.0184 -5.0184 -4.9043 -4.9043 -4.8990 -4.8990 -4.8975 -4.8975 -3.9543 -3.9543 -3.5638 -3.5638 -3.5613 -3.5613 -3.2031 -3.2031 -2.8666 -2.8666 -2.8522 -2.8522 1.9759 1.9759 6.8742 6.8742 6.8880 6.8880 6.9269 6.9269 8.9251 8.9251 9.4206 9.4206 9.4795 9.4795 9.7743 9.7743 9.8091 9.8091 9.9841 9.9841 10.3307 10.3307 10.7372 10.7372 k = 0.0700 0.0700 0.0700 ( 5965 PWs) bands (ev): -18.7992 -18.7992 -18.5516 -18.5516 -18.5516 -18.5516 -8.1288 -8.1288 -7.4593 -7.4593 -7.4589 -7.4589 -5.5825 -5.5825 -5.5690 -5.5690 -5.0215 -5.0215 -4.9039 -4.9039 -4.8989 -4.8989 -4.8969 -4.8969 -3.9431 -3.9431 -3.5622 -3.5622 -3.5585 -3.5585 -3.2044 -3.2044 -2.8733 -2.8733 -2.8540 -2.8540 1.9897 1.9897 6.8499 6.8499 6.8688 6.8688 6.9064 6.9064 8.8501 8.8501 9.4030 9.4030 9.4303 9.4303 9.7886 9.7886 9.8259 9.8259 10.0443 10.0443 10.3502 10.3502 10.7847 10.7847 k = 0.0800 0.0800 0.0800 ( 5965 PWs) bands (ev): -18.7967 -18.7967 -18.5528 -18.5528 -18.5528 -18.5528 -8.1405 -8.1405 -7.4594 -7.4594 -7.4589 -7.4589 -5.5782 -5.5782 -5.5608 -5.5608 -5.0248 -5.0248 -4.9034 -4.9034 -4.8988 -4.8988 -4.8963 -4.8963 -3.9302 -3.9302 -3.5606 -3.5606 -3.5552 -3.5552 -3.2058 -3.2058 -2.8808 -2.8808 -2.8559 -2.8559 2.0053 2.0053 6.8221 6.8221 6.8469 6.8469 6.8833 6.8833 8.7739 8.7739 9.3737 9.3737 9.3840 9.3840 9.8078 9.8078 9.8461 9.8461 10.1035 10.1035 10.3898 10.3898 10.8375 10.8375 k = 0.0900 0.0900 0.0900 ( 5965 PWs) bands (ev): -18.7939 -18.7939 -18.5541 -18.5541 -18.5541 -18.5541 -8.1535 -8.1535 -7.4596 -7.4596 -7.4590 -7.4590 -5.5734 -5.5734 -5.5517 -5.5517 -5.0284 -5.0284 -4.9028 -4.9028 -4.8986 -4.8986 -4.8956 -4.8956 -3.9158 -3.9158 -3.5592 -3.5592 -3.5516 -3.5516 -3.2071 -3.2071 -2.8889 -2.8889 -2.8580 -2.8580 2.0223 2.0223 6.7910 6.7910 6.8224 6.8224 6.8577 6.8577 8.6967 8.6967 9.3142 9.3142 9.3641 9.3641 9.8311 9.8311 9.8696 9.8696 10.1613 10.1613 10.4461 10.4461 10.8949 10.8949 k = 0.1000 0.1000 0.1000 ( 5944 PWs) bands (ev): -18.7908 -18.7908 -18.5555 -18.5555 -18.5555 -18.5555 -8.1678 -8.1678 -7.4598 -7.4598 -7.4590 -7.4590 -5.5682 -5.5682 -5.5418 -5.5418 -5.0322 -5.0322 -4.9021 -4.9021 -4.8983 -4.8983 -4.8950 -4.8950 -3.8998 -3.8998 -3.5579 -3.5579 -3.5474 -3.5474 -3.2082 -3.2082 -2.8975 -2.8975 -2.8602 -2.8602 2.0405 2.0405 6.7568 6.7568 6.7953 6.7953 6.8297 6.8297 8.6193 8.6193 9.2550 9.2550 9.3437 9.3437 9.8579 9.8579 9.8964 9.8964 10.2187 10.2187 10.5155 10.5155 10.9564 10.9564 k = 0.1100 0.1100 0.1100 ( 5962 PWs) bands (ev): -18.7875 -18.7875 -18.5571 -18.5571 -18.5571 -18.5571 -8.1833 -8.1833 -7.4600 -7.4600 -7.4590 -7.4590 -5.5626 -5.5626 -5.5313 -5.5313 -5.0361 -5.0361 -4.9014 -4.9014 -4.8980 -4.8980 -4.8943 -4.8943 -3.8824 -3.8824 -3.5571 -3.5571 -3.5429 -3.5429 -3.2089 -3.2089 -2.9066 -2.9066 -2.8625 -2.8625 2.0598 2.0598 6.7198 6.7198 6.7658 6.7658 6.7994 6.7994 8.5421 8.5421 9.1980 9.1980 9.3234 9.3234 9.8879 9.8879 9.9263 9.9263 10.2770 10.2770 10.5946 10.5946 11.0217 11.0217 k = 0.1200 0.1200 0.1200 ( 5965 PWs) bands (ev): -18.7838 -18.7838 -18.5588 -18.5588 -18.5588 -18.5588 -8.1999 -8.1999 -7.4601 -7.4601 -7.4591 -7.4591 -5.5568 -5.5568 -5.5203 -5.5203 -5.0401 -5.0401 -4.9007 -4.9007 -4.8976 -4.8976 -4.8936 -4.8936 -3.8636 -3.8636 -3.5568 -3.5568 -3.5379 -3.5379 -3.2093 -3.2093 -2.9160 -2.9160 -2.8648 -2.8648 2.0799 2.0799 6.6802 6.6802 6.7340 6.7340 6.7668 6.7668 8.4659 8.4659 9.1445 9.1445 9.3034 9.3034 9.9208 9.9208 9.9593 9.9593 10.3374 10.3374 10.6807 10.6807 11.0901 11.0901 k = 0.1300 0.1300 0.1300 ( 5959 PWs) bands (ev): -18.7799 -18.7799 -18.5606 -18.5606 -18.5606 -18.5606 -8.2176 -8.2176 -7.4603 -7.4603 -7.4591 -7.4591 -5.5507 -5.5507 -5.5089 -5.5089 -5.0441 -5.0441 -4.9000 -4.9000 -4.8972 -4.8972 -4.8928 -4.8928 -3.8435 -3.8435 -3.5571 -3.5571 -3.5326 -3.5326 -3.2090 -3.2090 -2.9255 -2.9255 -2.8670 -2.8670 2.1004 2.1004 6.6384 6.6384 6.6999 6.6999 6.7321 6.7321 8.3914 8.3914 9.0949 9.0949 9.2842 9.2842 9.9566 9.9566 9.9951 9.9951 10.4007 10.4007 10.7717 10.7717 11.1613 11.1613 k = 0.1400 0.1400 0.1400 ( 5956 PWs) bands (ev): -18.7758 -18.7758 -18.5625 -18.5625 -18.5625 -18.5625 -8.2361 -8.2361 -7.4605 -7.4605 -7.4591 -7.4591 -5.5444 -5.5444 -5.4972 -5.4972 -5.0480 -5.0480 -4.8992 -4.8992 -4.8967 -4.8967 -4.8921 -4.8921 -3.8221 -3.8221 -3.5583 -3.5583 -3.5267 -3.5267 -3.2081 -3.2081 -2.9351 -2.9351 -2.8693 -2.8693 2.1213 2.1213 6.5946 6.5946 6.6638 6.6638 6.6953 6.6953 8.3194 8.3194 9.0497 9.0497 9.2661 9.2661 9.9949 9.9949 10.0338 10.0338 10.4671 10.4671 10.8663 10.8663 11.2348 11.2348 k = 0.1500 0.1500 0.1500 ( 5971 PWs) bands (ev): -18.7714 -18.7714 -18.5645 -18.5645 -18.5645 -18.5645 -8.2555 -8.2555 -7.4606 -7.4606 -7.4592 -7.4592 -5.5380 -5.5380 -5.4854 -5.4854 -5.0516 -5.0516 -4.8984 -4.8984 -4.8962 -4.8962 -4.8913 -4.8913 -3.7996 -3.7996 -3.5604 -3.5604 -3.5205 -3.5205 -3.2063 -3.2063 -2.9447 -2.9447 -2.8714 -2.8714 2.1420 2.1420 6.5490 6.5490 6.6257 6.6257 6.6566 6.6566 8.2506 8.2506 9.0088 9.0088 9.2492 9.2492 10.0359 10.0359 10.0750 10.0750 10.5367 10.5367 10.9633 10.9633 11.3100 11.3100 k = 0.1600 0.1600 0.1600 ( 5971 PWs) bands (ev): -18.7668 -18.7668 -18.5666 -18.5666 -18.5666 -18.5666 -8.2756 -8.2756 -7.4608 -7.4608 -7.4592 -7.4592 -5.5315 -5.5315 -5.4736 -5.4736 -5.0550 -5.0550 -4.8976 -4.8976 -4.8956 -4.8956 -4.8904 -4.8904 -3.7761 -3.7761 -3.5635 -3.5635 -3.5138 -3.5138 -3.2037 -3.2037 -2.9540 -2.9540 -2.8734 -2.8734 2.1625 2.1625 6.5021 6.5021 6.5858 6.5858 6.6162 6.6162 8.1857 8.1857 8.9723 8.9723 9.2338 9.2338 10.0792 10.0792 10.1188 10.1188 10.6095 10.6095 11.0617 11.0617 11.3863 11.3863 k = 0.1700 0.1700 0.1700 ( 5965 PWs) bands (ev): -18.7621 -18.7621 -18.5688 -18.5688 -18.5688 -18.5688 -8.2963 -8.2963 -7.4609 -7.4609 -7.4592 -7.4592 -5.5250 -5.5250 -5.4620 -5.4620 -5.0579 -5.0579 -4.8969 -4.8969 -4.8949 -4.8949 -4.8895 -4.8895 -3.7516 -3.7516 -3.5678 -3.5678 -3.5067 -3.5067 -3.2000 -3.2000 -2.9631 -2.9631 -2.8752 -2.8752 2.1824 2.1824 6.4540 6.4540 6.5443 6.5443 6.5741 6.5741 8.1254 8.1254 8.9401 8.9401 9.2201 9.2201 10.1247 10.1247 10.1650 10.1650 10.6852 10.6852 11.1604 11.1604 11.4629 11.4629 k = 0.1800 0.1800 0.1800 ( 5974 PWs) bands (ev): -18.7571 -18.7571 -18.5710 -18.5710 -18.5710 -18.5710 -8.3176 -8.3176 -7.4611 -7.4611 -7.4592 -7.4592 -5.5185 -5.5185 -5.4508 -5.4508 -5.0604 -5.0604 -4.8962 -4.8962 -4.8942 -4.8942 -4.8885 -4.8885 -3.7263 -3.7263 -3.5733 -3.5733 -3.4991 -3.4991 -3.1952 -3.1952 -2.9718 -2.9718 -2.8768 -2.8768 2.2014 2.2014 6.4050 6.4050 6.5012 6.5012 6.5304 6.5304 8.0703 8.0703 8.9120 8.9120 9.2083 9.2083 10.1724 10.1724 10.2134 10.2134 10.7633 10.7633 11.2582 11.2582 11.5388 11.5388 k = 0.1900 0.1900 0.1900 ( 5977 PWs) bands (ev): -18.7520 -18.7520 -18.5734 -18.5734 -18.5734 -18.5734 -8.3394 -8.3394 -7.4612 -7.4612 -7.4592 -7.4592 -5.5121 -5.5121 -5.4400 -5.4400 -5.0621 -5.0621 -4.8956 -4.8956 -4.8935 -4.8935 -4.8874 -4.8874 -3.7002 -3.7002 -3.5800 -3.5800 -3.4912 -3.4912 -3.1893 -3.1893 -2.9800 -2.9800 -2.8782 -2.8782 2.2193 2.2193 6.3553 6.3553 6.4568 6.4568 6.4853 6.4853 8.0209 8.0209 8.8880 8.8880 9.1984 9.1984 10.2221 10.2221 10.2639 10.2639 10.8432 10.8432 11.3536 11.3536 11.6130 11.6130 k = 0.2000 0.2000 0.2000 ( 5962 PWs) bands (ev): -18.7467 -18.7467 -18.5757 -18.5757 -18.5757 -18.5757 -8.3615 -8.3615 -7.4612 -7.4612 -7.4592 -7.4592 -5.5058 -5.5058 -5.4300 -5.4300 -5.0631 -5.0631 -4.8950 -4.8950 -4.8927 -4.8927 -4.8862 -4.8862 -3.6737 -3.6737 -3.5877 -3.5877 -3.4828 -3.4828 -3.1824 -3.1824 -2.9876 -2.9876 -2.8792 -2.8792 2.2358 2.2358 6.3053 6.3053 6.4111 6.4111 6.4390 6.4390 7.9775 7.9775 8.8679 8.8679 9.1906 9.1906 10.2737 10.2737 10.3163 10.3163 10.9240 10.9240 11.4442 11.4442 11.6839 11.6839 k = 0.2100 0.2100 0.2100 ( 5968 PWs) bands (ev): -18.7414 -18.7414 -18.5782 -18.5782 -18.5782 -18.5782 -8.3839 -8.3839 -7.4613 -7.4613 -7.4592 -7.4592 -5.4997 -5.4997 -5.4208 -5.4208 -5.0633 -5.0633 -4.8946 -4.8946 -4.8920 -4.8920 -4.8848 -4.8848 -3.6468 -3.6468 -3.5964 -3.5964 -3.4740 -3.4740 -3.1743 -3.1743 -2.9945 -2.9945 -2.8800 -2.8800 2.2507 2.2507 6.2551 6.2551 6.3645 6.3645 6.3916 6.3916 7.9407 7.9407 8.8517 8.8517 9.1850 9.1850 10.3269 10.3269 10.3704 10.3704 11.0044 11.0044 11.5259 11.5259 11.7367 11.7367 k = 0.2200 0.2200 0.2200 ( 5968 PWs) bands (ev): -18.7359 -18.7359 -18.5806 -18.5806 -18.5806 -18.5806 -8.4064 -8.4064 -7.4613 -7.4613 -7.4592 -7.4592 -5.4938 -5.4938 -5.4126 -5.4126 -5.0624 -5.0624 -4.8942 -4.8942 -4.8912 -4.8912 -4.8834 -4.8834 -3.6215 -3.6215 -3.6044 -3.6044 -3.4647 -3.4647 -3.1654 -3.1654 -3.0007 -3.0007 -2.8804 -2.8804 2.2639 2.2639 6.2050 6.2050 6.3169 6.3169 6.3432 6.3432 7.9108 7.9108 8.8392 8.8392 9.1816 9.1816 10.3816 10.3816 10.4261 10.4261 11.0822 11.0822 11.5904 11.5904 11.7402 11.7402 k = 0.2300 0.2300 0.2300 ( 5956 PWs) bands (ev): -18.7303 -18.7303 -18.5831 -18.5831 -18.5831 -18.5831 -8.4291 -8.4291 -7.4614 -7.4614 -7.4591 -7.4591 -5.4881 -5.4881 -5.4054 -5.4054 -5.0605 -5.0605 -4.8939 -4.8939 -4.8905 -4.8905 -4.8819 -4.8819 -3.6199 -3.6199 -3.5893 -3.5893 -3.4551 -3.4551 -3.1555 -3.1555 -3.0061 -3.0061 -2.8805 -2.8805 2.2751 2.2751 6.1551 6.1551 6.2687 6.2687 6.2941 6.2941 7.8879 7.8879 8.8304 8.8304 9.1806 9.1806 10.4375 10.4375 10.4830 10.4830 11.1543 11.1543 11.6292 11.6292 11.7674 11.7674 k = 0.2400 0.2400 0.2400 ( 5965 PWs) bands (ev): -18.7247 -18.7247 -18.5856 -18.5856 -18.5856 -18.5856 -8.4518 -8.4518 -7.4613 -7.4613 -7.4591 -7.4591 -5.4827 -5.4827 -5.3995 -5.3995 -5.0576 -5.0576 -4.8936 -4.8936 -4.8898 -4.8898 -4.8802 -4.8802 -3.6309 -3.6309 -3.5624 -3.5624 -3.4452 -3.4452 -3.1448 -3.1448 -3.0105 -3.0105 -2.8803 -2.8803 2.2842 2.2842 6.1056 6.1056 6.2199 6.2199 6.2443 6.2443 7.8724 7.8724 8.8253 8.8253 9.1820 9.1820 10.4943 10.4943 10.5409 10.5409 11.2160 11.2160 11.6526 11.6526 11.8095 11.8095 k = 0.2500 0.2500 0.2500 ( 5983 PWs) bands (ev): -18.7191 -18.7191 -18.5881 -18.5881 -18.5881 -18.5881 -8.4743 -8.4743 -7.4613 -7.4613 -7.4590 -7.4590 -5.4776 -5.4776 -5.3947 -5.3947 -5.0535 -5.0535 -4.8935 -4.8935 -4.8891 -4.8891 -4.8785 -4.8785 -3.6432 -3.6432 -3.5351 -3.5351 -3.4349 -3.4349 -3.1334 -3.1334 -3.0139 -3.0139 -2.8796 -2.8796 2.2911 2.2911 6.0568 6.0568 6.1707 6.1707 6.1941 6.1941 7.8643 7.8643 8.8236 8.8236 9.1857 9.1857 10.5518 10.5518 10.5996 10.5996 11.2617 11.2617 11.6808 11.6808 11.8487 11.8487 k = 0.2600 0.2600 0.2600 ( 5968 PWs) bands (ev): -18.7135 -18.7135 -18.5906 -18.5906 -18.5906 -18.5906 -8.4968 -8.4968 -7.4612 -7.4612 -7.4590 -7.4590 -5.4728 -5.4728 -5.3912 -5.3912 -5.0485 -5.0485 -4.8933 -4.8933 -4.8885 -4.8885 -4.8767 -4.8767 -3.6562 -3.6562 -3.5080 -3.5080 -3.4243 -3.4243 -3.1215 -3.1215 -3.0162 -3.0162 -2.8786 -2.8786 2.2959 2.2959 6.0086 6.0086 6.1214 6.1214 6.1436 6.1436 7.8636 7.8636 8.8255 8.8255 9.1919 9.1919 10.6094 10.6094 10.6585 10.6585 11.2882 11.2882 11.7239 11.7239 11.8753 11.8753 k = 0.2700 0.2700 0.2700 ( 5959 PWs) bands (ev): -18.7078 -18.7078 -18.5931 -18.5931 -18.5931 -18.5931 -8.5189 -8.5189 -7.4611 -7.4611 -7.4589 -7.4589 -5.4683 -5.4683 -5.3888 -5.3888 -5.0424 -5.0424 -4.8932 -4.8932 -4.8880 -4.8880 -4.8748 -4.8748 -3.6697 -3.6697 -3.4815 -3.4815 -3.4135 -3.4135 -3.1092 -3.1092 -3.0172 -3.0172 -2.8771 -2.8771 2.2984 2.2984 5.9614 5.9614 6.0721 6.0721 6.0931 6.0931 7.8705 7.8705 8.8309 8.8309 9.2005 9.2005 10.6668 10.6668 10.7174 10.7174 11.2970 11.2970 11.7822 11.7822 11.8859 11.8859 k = 0.2800 0.2800 0.2800 ( 5956 PWs) bands (ev): -18.7022 -18.7022 -18.5956 -18.5956 -18.5956 -18.5956 -8.5408 -8.5408 -7.4610 -7.4610 -7.4588 -7.4588 -5.4641 -5.4641 -5.3875 -5.3875 -5.0355 -5.0355 -4.8932 -4.8932 -4.8876 -4.8876 -4.8729 -4.8729 -3.6834 -3.6834 -3.4557 -3.4557 -3.4024 -3.4024 -3.0967 -3.0967 -3.0168 -3.0168 -2.8753 -2.8753 2.2988 2.2988 5.9151 5.9151 6.0229 6.0229 6.0426 6.0426 7.8848 7.8848 8.8396 8.8396 9.2115 9.2115 10.7234 10.7234 10.7755 10.7755 11.2926 11.2926 11.8509 11.8509 11.8808 11.8808 k = 0.2900 0.2900 0.2900 ( 5962 PWs) bands (ev): -18.6967 -18.6967 -18.5980 -18.5980 -18.5980 -18.5980 -8.5622 -8.5622 -7.4609 -7.4609 -7.4587 -7.4587 -5.4602 -5.4602 -5.3872 -5.3872 -5.0280 -5.0280 -4.8932 -4.8932 -4.8873 -4.8873 -4.8709 -4.8709 -3.6974 -3.6974 -3.4309 -3.4309 -3.3913 -3.3913 -3.0843 -3.0843 -3.0146 -3.0146 -2.8731 -2.8731 2.2971 2.2971 5.8700 5.8700 5.9742 5.9742 5.9924 5.9924 7.9063 7.9063 8.8518 8.8518 9.2250 9.2250 10.7784 10.7784 10.8324 10.8324 11.2799 11.2799 11.8600 11.8600 11.8721 11.8721 k = 0.3000 0.3000 0.3000 ( 5968 PWs) bands (ev): -18.6912 -18.6912 -18.6004 -18.6004 -18.6004 -18.6004 -8.5832 -8.5832 -7.4607 -7.4607 -7.4586 -7.4586 -5.4566 -5.4566 -5.3877 -5.3877 -5.0198 -5.0198 -4.8932 -4.8932 -4.8871 -4.8871 -4.8689 -4.8689 -3.7114 -3.7114 -3.4074 -3.4074 -3.3800 -3.3800 -3.0723 -3.0723 -3.0106 -3.0106 -2.8705 -2.8705 2.2934 2.2934 5.8262 5.8262 5.9260 5.9260 5.9428 5.9428 7.9348 7.9348 8.8673 8.8673 9.2408 9.2408 10.8307 10.8307 10.8869 10.8869 11.2620 11.2620 11.8297 11.8297 11.8336 11.8336 k = 0.3100 0.3100 0.3100 ( 5962 PWs) bands (ev): -18.6858 -18.6858 -18.6028 -18.6028 -18.6028 -18.6028 -8.6036 -8.6036 -7.4605 -7.4605 -7.4585 -7.4585 -5.4533 -5.4533 -5.3890 -5.3890 -5.0112 -5.0112 -4.8932 -4.8932 -4.8871 -4.8871 -4.8668 -4.8668 -3.7253 -3.7253 -3.3853 -3.3853 -3.3687 -3.3687 -3.0609 -3.0609 -3.0044 -3.0044 -2.8675 -2.8675 2.2879 2.2879 5.7837 5.7837 5.8785 5.8785 5.8938 5.8938 7.9700 7.9700 8.8862 8.8862 9.2589 9.2589 10.8792 10.8792 10.9381 10.9381 11.2410 11.2410 11.7902 11.7902 11.7925 11.7925 k = 0.3200 0.3200 0.3200 ( 5968 PWs) bands (ev): -18.6806 -18.6806 -18.6050 -18.6050 -18.6050 -18.6050 -8.6234 -8.6234 -7.4603 -7.4603 -7.4584 -7.4584 -5.4504 -5.4504 -5.3909 -5.3909 -5.0024 -5.0024 -4.8933 -4.8933 -4.8871 -4.8871 -4.8647 -4.8647 -3.7390 -3.7390 -3.3648 -3.3648 -3.3575 -3.3575 -3.0502 -3.0502 -2.9959 -2.9959 -2.8642 -2.8642 2.2808 2.2808 5.7427 5.7427 5.8320 5.8320 5.8457 5.8457 8.0115 8.0115 8.9085 8.9085 9.2793 9.2793 10.9221 10.9221 10.9842 10.9842 11.2179 11.2179 11.7453 11.7453 11.7527 11.7527 k = 0.3300 0.3300 0.3300 ( 5968 PWs) bands (ev): -18.6754 -18.6754 -18.6073 -18.6073 -18.6073 -18.6073 -8.6425 -8.6425 -7.4601 -7.4601 -7.4583 -7.4583 -5.4477 -5.4477 -5.3932 -5.3932 -4.9935 -4.9935 -4.8934 -4.8934 -4.8873 -4.8873 -4.8626 -4.8626 -3.7525 -3.7525 -3.3465 -3.3465 -3.3460 -3.3460 -3.0404 -3.0404 -2.9853 -2.9853 -2.8606 -2.8606 2.2723 2.2723 5.7032 5.7032 5.7867 5.7867 5.7987 5.7987 8.0587 8.0587 8.9343 8.9343 9.3018 9.3018 10.9575 10.9575 11.0232 11.0232 11.1935 11.1935 11.7022 11.7022 11.7144 11.7144 k = 0.3400 0.3400 0.3400 ( 5968 PWs) bands (ev): -18.6705 -18.6705 -18.6094 -18.6094 -18.6094 -18.6094 -8.6609 -8.6609 -7.4598 -7.4598 -7.4582 -7.4582 -5.4453 -5.4453 -5.3960 -5.3960 -4.9846 -4.9846 -4.8935 -4.8935 -4.8875 -4.8875 -4.8605 -4.8605 -3.7656 -3.7656 -3.3356 -3.3356 -3.3291 -3.3291 -3.0310 -3.0310 -2.9729 -2.9729 -2.8567 -2.8567 2.2625 2.2625 5.6654 5.6654 5.7426 5.7426 5.7530 5.7530 8.1112 8.1112 8.9634 8.9634 9.3265 9.3265 10.9829 10.9829 11.0525 11.0525 11.1680 11.1680 11.6646 11.6646 11.6815 11.6815 k = 0.3500 0.3500 0.3500 ( 5962 PWs) bands (ev): -18.6657 -18.6657 -18.6114 -18.6114 -18.6114 -18.6114 -8.6785 -8.6785 -7.4596 -7.4596 -7.4581 -7.4581 -5.4432 -5.4432 -5.3990 -5.3990 -4.9758 -4.9758 -4.8936 -4.8936 -4.8879 -4.8879 -4.8583 -4.8583 -3.7782 -3.7782 -3.3250 -3.3250 -3.3142 -3.3142 -3.0220 -3.0220 -2.9592 -2.9592 -2.8525 -2.8525 2.2518 2.2518 5.6294 5.6294 5.7001 5.7001 5.7089 5.7089 8.1681 8.1681 8.9962 8.9962 9.3531 9.3531 10.9960 10.9960 11.0692 11.0692 11.1415 11.1415 11.6362 11.6362 11.6575 11.6575 k = 0.3600 0.3600 0.3600 ( 5962 PWs) bands (ev): -18.6612 -18.6612 -18.6134 -18.6134 -18.6134 -18.6134 -8.6952 -8.6952 -7.4593 -7.4593 -7.4580 -7.4580 -5.4413 -5.4413 -5.4021 -5.4021 -4.9672 -4.9672 -4.8937 -4.8937 -4.8883 -4.8883 -4.8562 -4.8562 -3.7904 -3.7904 -3.3149 -3.3149 -3.3010 -3.3010 -3.0130 -3.0130 -2.9446 -2.9446 -2.8482 -2.8482 2.2404 2.2404 5.5952 5.5952 5.6592 5.6592 5.6664 5.6664 8.2288 8.2288 9.0326 9.0326 9.3814 9.3814 10.9955 10.9955 11.0709 11.0709 11.1139 11.1139 11.6196 11.6196 11.6446 11.6446 k = 0.3700 0.3700 0.3700 ( 5962 PWs) bands (ev): -18.6568 -18.6568 -18.6153 -18.6153 -18.6153 -18.6153 -8.7110 -8.7110 -7.4591 -7.4591 -7.4579 -7.4579 -5.4396 -5.4396 -5.4054 -5.4054 -4.9591 -4.9591 -4.8938 -4.8938 -4.8888 -4.8888 -4.8541 -4.8541 -3.8019 -3.8019 -3.3051 -3.3051 -3.2897 -3.2897 -3.0040 -3.0040 -2.9296 -2.9296 -2.8437 -2.8437 2.2285 2.2285 5.5629 5.5629 5.6203 5.6203 5.6258 5.6258 8.2923 8.2923 9.0728 9.0728 9.4115 9.4115 10.9816 10.9816 11.0574 11.0574 11.0848 11.0848 11.6156 11.6156 11.6431 11.6431 k = 0.3800 0.3800 0.3800 ( 5959 PWs) bands (ev): -18.6527 -18.6527 -18.6170 -18.6170 -18.6170 -18.6170 -8.7258 -8.7258 -7.4588 -7.4588 -7.4578 -7.4578 -5.4382 -5.4382 -5.4086 -5.4086 -4.9513 -4.9513 -4.8939 -4.8939 -4.8894 -4.8894 -4.8521 -4.8521 -3.8128 -3.8128 -3.2959 -3.2959 -3.2800 -3.2800 -2.9952 -2.9952 -2.9145 -2.9145 -2.8391 -2.8391 2.2164 2.2164 5.5327 5.5327 5.5834 5.5834 5.5874 5.5874 8.3575 8.3575 9.1170 9.1170 9.4429 9.4429 10.9563 10.9563 11.0307 11.0307 11.0542 11.0542 11.6223 11.6223 11.6514 11.6514 k = 0.3900 0.3900 0.3900 ( 5962 PWs) bands (ev): -18.6489 -18.6489 -18.6186 -18.6186 -18.6186 -18.6186 -8.7397 -8.7397 -7.4586 -7.4586 -7.4577 -7.4577 -5.4369 -5.4369 -5.4118 -5.4118 -4.9440 -4.9440 -4.8941 -4.8941 -4.8900 -4.8900 -4.8501 -4.8501 -3.8230 -3.8230 -3.2872 -3.2872 -3.2717 -3.2717 -2.9865 -2.9865 -2.8994 -2.8994 -2.8345 -2.8345 2.2043 2.2043 5.5045 5.5045 5.5488 5.5488 5.5512 5.5512 8.4234 8.4234 9.1653 9.1653 9.4755 9.4755 10.9224 10.9224 10.9940 10.9940 11.0216 11.0216 11.6366 11.6366 11.6668 11.6668 k = 0.4000 0.4000 0.4000 ( 5968 PWs) bands (ev): -18.6454 -18.6454 -18.6202 -18.6202 -18.6202 -18.6202 -8.7525 -8.7525 -7.4583 -7.4583 -7.4576 -7.4576 -5.4358 -5.4358 -5.4149 -5.4149 -4.9373 -4.9373 -4.8942 -4.8942 -4.8907 -4.8907 -4.8481 -4.8481 -3.8324 -3.8324 -3.2791 -3.2791 -3.2648 -3.2648 -2.9781 -2.9781 -2.8848 -2.8848 -2.8299 -2.8299 2.1925 2.1925 5.4786 5.4786 5.5165 5.5165 5.5175 5.5175 8.4886 8.4886 9.2179 9.2179 9.5090 9.5090 10.8829 10.8829 10.9510 10.9510 10.9868 10.9868 11.6552 11.6552 11.6865 11.6865 k = 0.4100 0.4100 0.4100 ( 5962 PWs) bands (ev): -18.6421 -18.6421 -18.6215 -18.6215 -18.6215 -18.6215 -8.7641 -8.7641 -7.4581 -7.4581 -7.4575 -7.4575 -5.4349 -5.4349 -5.4178 -5.4178 -4.9312 -4.9312 -4.8943 -4.8943 -4.8913 -4.8913 -4.8462 -4.8462 -3.8411 -3.8411 -3.2717 -3.2717 -3.2591 -3.2591 -2.9701 -2.9701 -2.8708 -2.8708 -2.8254 -2.8254 2.1810 2.1810 5.4548 5.4548 5.4865 5.4865 5.4868 5.4868 8.5519 8.5519 9.2748 9.2748 9.5429 9.5429 10.8406 10.8406 10.9045 10.9045 10.9494 10.9494 11.6755 11.6755 11.7078 11.7078 k = 0.4200 0.4200 0.4200 ( 5965 PWs) bands (ev): -18.6391 -18.6391 -18.6228 -18.6228 -18.6228 -18.6228 -8.7747 -8.7747 -7.4579 -7.4579 -7.4574 -7.4574 -5.4341 -5.4341 -5.4205 -5.4205 -4.9257 -4.9257 -4.8944 -4.8944 -4.8919 -4.8919 -4.8445 -4.8445 -3.8489 -3.8489 -3.2650 -3.2650 -3.2543 -3.2543 -2.9627 -2.9627 -2.8576 -2.8576 -2.8212 -2.8212 2.1703 2.1703 5.4333 5.4333 5.4584 5.4584 5.4598 5.4598 8.6121 8.6121 9.3357 9.3357 9.5769 9.5769 10.7977 10.7977 10.8568 10.8568 10.9090 10.9090 11.6956 11.6956 11.7289 11.7289 k = 0.4300 0.4300 0.4300 ( 5971 PWs) bands (ev): -18.6365 -18.6365 -18.6239 -18.6239 -18.6239 -18.6239 -8.7841 -8.7841 -7.4577 -7.4577 -7.4573 -7.4573 -5.4335 -5.4335 -5.4230 -5.4230 -4.9208 -4.9208 -4.8945 -4.8945 -4.8925 -4.8925 -4.8429 -4.8429 -3.8559 -3.8559 -3.2591 -3.2591 -3.2504 -3.2504 -2.9559 -2.9559 -2.8455 -2.8455 -2.8172 -2.8172 2.1603 2.1603 5.4141 5.4141 5.4332 5.4332 5.4356 5.4356 8.6679 8.6679 9.4002 9.4002 9.6102 9.6102 10.7559 10.7559 10.8097 10.8097 10.8654 10.8654 11.7143 11.7143 11.7482 11.7482 k = 0.4400 0.4400 0.4400 ( 5959 PWs) bands (ev): -18.6342 -18.6342 -18.6249 -18.6249 -18.6249 -18.6249 -8.7923 -8.7923 -7.4575 -7.4575 -7.4572 -7.4572 -5.4329 -5.4329 -5.4252 -5.4252 -4.9166 -4.9166 -4.8946 -4.8946 -4.8931 -4.8931 -4.8414 -4.8414 -3.8620 -3.8620 -3.2539 -3.2539 -3.2472 -3.2472 -2.9498 -2.9498 -2.8346 -2.8346 -2.8136 -2.8136 2.1514 2.1514 5.3971 5.3971 5.4114 5.4114 5.4144 5.4144 8.7182 8.7182 9.4670 9.4670 9.6424 9.6424 10.7166 10.7166 10.7648 10.7648 10.8189 10.8189 11.7310 11.7310 11.7644 11.7644 k = 0.4500 0.4500 0.4500 ( 5956 PWs) bands (ev): -18.6322 -18.6322 -18.6257 -18.6257 -18.6257 -18.6257 -8.7993 -8.7993 -7.4574 -7.4574 -7.4571 -7.4571 -5.4325 -5.4325 -5.4271 -5.4271 -4.9130 -4.9130 -4.8946 -4.8946 -4.8935 -4.8935 -4.8401 -4.8401 -3.8672 -3.8672 -3.2495 -3.2495 -3.2446 -3.2446 -2.9446 -2.9446 -2.8252 -2.8252 -2.8104 -2.8104 2.1435 2.1435 5.3824 5.3824 5.3930 5.3930 5.3963 5.3963 8.7621 8.7621 9.5346 9.5346 9.6724 9.6724 10.6809 10.6809 10.7234 10.7234 10.7705 10.7705 11.7452 11.7452 11.7763 11.7763 k = 0.4600 0.4600 0.4600 ( 5956 PWs) bands (ev): -18.6306 -18.6306 -18.6264 -18.6264 -18.6264 -18.6264 -8.8050 -8.8050 -7.4572 -7.4572 -7.4571 -7.4571 -5.4321 -5.4321 -5.4287 -5.4287 -4.9101 -4.9101 -4.8947 -4.8947 -4.8940 -4.8940 -4.8390 -4.8390 -3.8715 -3.8715 -3.2458 -3.2458 -3.2426 -3.2426 -2.9402 -2.9402 -2.8172 -2.8172 -2.8077 -2.8077 2.1370 2.1370 5.3697 5.3697 5.3783 5.3783 5.3813 5.3813 8.7990 8.7990 9.6002 9.6002 9.6994 9.6994 10.6495 10.6495 10.6867 10.6867 10.7222 10.7222 11.7568 11.7568 11.7827 11.7827 k = 0.4700 0.4700 0.4700 ( 5956 PWs) bands (ev): -18.6293 -18.6293 -18.6269 -18.6269 -18.6269 -18.6269 -8.8095 -8.8095 -7.4571 -7.4571 -7.4570 -7.4570 -5.4319 -5.4319 -5.4299 -5.4299 -4.9078 -4.9078 -4.8947 -4.8947 -4.8943 -4.8943 -4.8381 -4.8381 -3.8748 -3.8748 -3.2430 -3.2430 -3.2412 -3.2412 -2.9368 -2.9368 -2.8109 -2.8109 -2.8055 -2.8055 2.1318 2.1318 5.3591 5.3591 5.3675 5.3675 5.3696 5.3696 8.8283 8.8283 9.6601 9.6601 9.7221 9.7221 10.6229 10.6229 10.6563 10.6563 10.6777 10.6777 11.7658 11.7658 11.7836 11.7836 k = 0.4800 0.4800 0.4800 ( 5956 PWs) bands (ev): -18.6284 -18.6284 -18.6273 -18.6273 -18.6273 -18.6273 -8.8127 -8.8127 -7.4571 -7.4571 -7.4570 -7.4570 -5.4317 -5.4317 -5.4308 -5.4308 -4.9063 -4.9063 -4.8947 -4.8947 -4.8946 -4.8946 -4.8374 -4.8374 -3.8772 -3.8772 -3.2409 -3.2409 -3.2401 -3.2401 -2.9343 -2.9343 -2.8063 -2.8063 -2.8039 -2.8039 2.1280 2.1280 5.3512 5.3512 5.3601 5.3601 5.3612 5.3612 8.8495 8.8495 9.7094 9.7094 9.7395 9.7395 10.6006 10.6006 10.6333 10.6333 10.6422 10.6422 11.7721 11.7721 11.7811 11.7811 k = 0.4900 0.4900 0.4900 ( 5944 PWs) bands (ev): -18.6278 -18.6278 -18.6276 -18.6276 -18.6276 -18.6276 -8.8146 -8.8146 -7.4570 -7.4570 -7.4570 -7.4570 -5.4316 -5.4316 -5.4314 -5.4314 -4.9053 -4.9053 -4.8947 -4.8947 -4.8947 -4.8947 -4.8370 -4.8370 -3.8786 -3.8786 -3.2397 -3.2397 -3.2395 -3.2395 -2.9328 -2.9328 -2.8036 -2.8036 -2.8030 -2.8030 2.1257 2.1257 5.3463 5.3463 5.3558 5.3558 5.3561 5.3561 8.8623 8.8623 9.7424 9.7424 9.7504 9.7504 10.5838 10.5838 10.6190 10.6190 10.6209 10.6209 11.7758 11.7758 11.7782 11.7782 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -18.6276 -18.6276 -18.6276 -18.6276 -18.6276 -18.6276 -8.8153 -8.8153 -7.4570 -7.4570 -7.4570 -7.4570 -5.4316 -5.4316 -5.4316 -5.4316 -4.9050 -4.9050 -4.8947 -4.8947 -4.8947 -4.8947 -4.8369 -4.8369 -3.8791 -3.8791 -3.2393 -3.2393 -3.2393 -3.2393 -2.9323 -2.9323 -2.8027 -2.8027 -2.8027 -2.8027 2.1249 2.1249 5.3446 5.3446 5.3544 5.3544 5.3544 5.3544 8.8666 8.8666 9.7542 9.7542 9.7542 9.7542 10.5770 10.5770 10.6142 10.6142 10.6142 10.6142 11.7771 11.7771 11.7771 11.7771 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -18.6276 -18.6276 -18.6276 -18.6276 -18.6276 -18.6276 -8.8153 -8.8153 -7.4570 -7.4570 -7.4570 -7.4570 -5.4316 -5.4316 -5.4316 -5.4316 -4.9050 -4.9050 -4.8947 -4.8947 -4.8947 -4.8947 -4.8369 -4.8369 -3.8791 -3.8791 -3.2393 -3.2393 -3.2393 -3.2393 -2.9323 -2.9323 -2.8027 -2.8027 -2.8027 -2.8027 2.1249 2.1249 5.3446 5.3446 5.3544 5.3544 5.3544 5.3544 8.8666 8.8666 9.7542 9.7542 9.7542 9.7542 10.5770 10.5770 10.6142 10.6142 10.6142 10.6142 11.7771 11.7771 11.7771 11.7771 k = 0.4878 0.5000 0.4878 ( 5950 PWs) bands (ev): -18.6278 -18.6278 -18.6276 -18.6276 -18.6275 -18.6275 -8.8146 -8.8146 -7.4570 -7.4570 -7.4570 -7.4570 -5.4316 -5.4316 -5.4314 -5.4314 -4.9053 -4.9053 -4.8948 -4.8948 -4.8947 -4.8947 -4.8370 -4.8370 -3.8786 -3.8786 -3.2397 -3.2397 -3.2395 -3.2395 -2.9328 -2.9328 -2.8035 -2.8035 -2.8030 -2.8030 2.1257 2.1257 5.3462 5.3462 5.3555 5.3555 5.3565 5.3565 8.8624 8.8624 9.7429 9.7429 9.7501 9.7501 10.5837 10.5837 10.6192 10.6192 10.6206 10.6206 11.7759 11.7759 11.7781 11.7781 k = 0.4756 0.5000 0.4756 ( 5954 PWs) bands (ev): -18.6282 -18.6282 -18.6277 -18.6277 -18.6272 -18.6272 -8.8127 -8.8127 -7.4571 -7.4571 -7.4570 -7.4570 -5.4317 -5.4317 -5.4309 -5.4309 -4.9062 -4.9062 -4.8948 -4.8948 -4.8945 -4.8945 -4.8374 -4.8374 -3.8772 -3.8772 -3.2410 -3.2410 -3.2401 -3.2401 -2.9343 -2.9343 -2.8062 -2.8062 -2.8041 -2.8041 2.1279 2.1279 5.3501 5.3501 5.3595 5.3595 5.3627 5.3627 8.8497 8.8497 9.7108 9.7108 9.7384 9.7384 10.5993 10.5993 10.6369 10.6369 10.6396 10.6396 11.7724 11.7724 11.7809 11.7809 k = 0.4634 0.5000 0.4634 ( 5954 PWs) bands (ev): -18.6289 -18.6289 -18.6277 -18.6277 -18.6266 -18.6266 -8.8095 -8.8095 -7.4571 -7.4571 -7.4570 -7.4570 -5.4319 -5.4319 -5.4300 -5.4300 -4.9078 -4.9078 -4.8948 -4.8948 -4.8942 -4.8942 -4.8381 -4.8381 -3.8748 -3.8748 -3.2430 -3.2430 -3.2410 -3.2410 -2.9368 -2.9368 -2.8104 -2.8104 -2.8059 -2.8059 2.1317 2.1317 5.3543 5.3543 5.3681 5.3681 5.3734 5.3734 8.8288 8.8288 9.6621 9.6621 9.7203 9.7203 10.6171 10.6171 10.6685 10.6685 10.6708 10.6708 11.7665 11.7665 11.7835 11.7835 k = 0.4512 0.5000 0.4512 ( 5954 PWs) bands (ev): -18.6299 -18.6299 -18.6277 -18.6277 -18.6258 -18.6258 -8.8051 -8.8051 -7.4572 -7.4572 -7.4571 -7.4571 -5.4321 -5.4321 -5.4288 -5.4288 -4.9101 -4.9101 -4.8949 -4.8949 -4.8938 -4.8938 -4.8389 -4.8389 -3.8715 -3.8715 -3.2459 -3.2459 -3.2424 -3.2424 -2.9403 -2.9403 -2.8163 -2.8163 -2.8083 -2.8083 2.1369 2.1369 5.3587 5.3587 5.3812 5.3812 5.3887 5.3887 8.8003 8.8003 9.6014 9.6014 9.6978 9.6978 10.6365 10.6365 10.7064 10.7064 10.7154 10.7154 11.7581 11.7581 11.7836 11.7836 k = 0.4390 0.5000 0.4390 ( 5954 PWs) bands (ev): -18.6311 -18.6311 -18.6277 -18.6277 -18.6248 -18.6248 -8.7995 -8.7995 -7.4574 -7.4574 -7.4571 -7.4571 -5.4324 -5.4324 -5.4272 -5.4272 -4.9130 -4.9130 -4.8949 -4.8949 -4.8932 -4.8932 -4.8399 -4.8399 -3.8673 -3.8673 -3.2497 -3.2497 -3.2442 -3.2442 -2.9448 -2.9448 -2.8235 -2.8235 -2.8114 -2.8114 2.1434 2.1434 5.3636 5.3636 5.3981 5.3981 5.4087 5.4087 8.7647 8.7647 9.5327 9.5327 9.6724 9.6724 10.6593 10.6593 10.7496 10.7496 10.7665 10.7665 11.7471 11.7471 11.7787 11.7787 k = 0.4268 0.5000 0.4268 ( 5952 PWs) bands (ev): -18.6327 -18.6327 -18.6278 -18.6278 -18.6235 -18.6235 -8.7926 -8.7926 -7.4575 -7.4575 -7.4572 -7.4572 -5.4328 -5.4328 -5.4253 -5.4253 -4.9167 -4.9167 -4.8950 -4.8950 -4.8926 -4.8926 -4.8411 -4.8411 -3.8621 -3.8621 -3.2544 -3.2544 -3.2464 -3.2464 -2.9503 -2.9503 -2.8319 -2.8319 -2.8152 -2.8152 2.1513 2.1513 5.3693 5.3693 5.4186 5.4186 5.4330 5.4330 8.7230 8.7230 9.4592 9.4592 9.6455 9.6455 10.6860 10.6860 10.7958 10.7958 10.8209 10.8209 11.7335 11.7335 11.7684 11.7684 k = 0.4146 0.5000 0.4146 ( 5964 PWs) bands (ev): -18.6344 -18.6344 -18.6278 -18.6278 -18.6221 -18.6221 -8.7845 -8.7845 -7.4577 -7.4577 -7.4573 -7.4573 -5.4334 -5.4334 -5.4231 -5.4231 -4.9211 -4.9211 -4.8951 -4.8951 -4.8919 -4.8919 -4.8424 -4.8424 -3.8561 -3.8561 -3.2601 -3.2601 -3.2490 -3.2490 -2.9568 -2.9568 -2.8412 -2.8412 -2.8195 -2.8195 2.1602 2.1602 5.3758 5.3758 5.4424 5.4424 5.4616 5.4616 8.6761 8.6761 9.3829 9.3829 9.6182 9.6182 10.7166 10.7166 10.8428 10.8428 10.8767 10.8767 11.7174 11.7174 11.7534 11.7534 k = 0.4024 0.5000 0.4024 ( 5964 PWs) bands (ev): -18.6364 -18.6364 -18.6279 -18.6279 -18.6204 -18.6204 -8.7754 -8.7754 -7.4579 -7.4579 -7.4574 -7.4574 -5.4340 -5.4340 -5.4206 -5.4206 -4.9262 -4.9262 -4.8952 -4.8952 -4.8911 -4.8911 -4.8438 -4.8438 -3.8491 -3.8491 -3.2667 -3.2667 -3.2521 -3.2521 -2.9642 -2.9642 -2.8513 -2.8513 -2.8244 -2.8244 2.1703 2.1703 5.3832 5.3832 5.4696 5.4696 5.4941 5.4941 8.6251 8.6251 9.3055 9.3055 9.5912 9.5912 10.7511 10.7511 10.8891 10.8891 10.9325 10.9325 11.6990 11.6990 11.7342 11.7342 k = 0.3902 0.5000 0.3902 ( 5960 PWs) bands (ev): -18.6387 -18.6387 -18.6279 -18.6279 -18.6185 -18.6185 -8.7651 -8.7651 -7.4581 -7.4581 -7.4575 -7.4575 -5.4349 -5.4349 -5.4179 -5.4179 -4.9319 -4.9319 -4.8953 -4.8953 -4.8902 -4.8902 -4.8452 -4.8452 -3.8414 -3.8414 -3.2745 -3.2745 -3.2557 -3.2557 -2.9724 -2.9724 -2.8619 -2.8619 -2.8298 -2.8298 2.1812 2.1812 5.3915 5.3915 5.5001 5.5001 5.5302 5.5302 8.5713 8.5713 9.2280 9.2280 9.5647 9.5647 10.7891 10.7891 10.9340 10.9340 10.9871 10.9871 11.6784 11.6784 11.7114 11.7114 k = 0.3780 0.5000 0.3780 ( 5964 PWs) bands (ev): -18.6411 -18.6411 -18.6280 -18.6280 -18.6165 -18.6165 -8.7538 -8.7538 -7.4583 -7.4583 -7.4576 -7.4576 -5.4359 -5.4359 -5.4148 -5.4148 -4.9384 -4.9384 -4.8954 -4.8954 -4.8893 -4.8893 -4.8466 -4.8466 -3.8327 -3.8327 -3.2835 -3.2835 -3.2597 -3.2597 -2.9813 -2.9813 -2.8729 -2.8729 -2.8357 -2.8357 2.1929 2.1929 5.4005 5.4005 5.5336 5.5336 5.5698 5.5698 8.5156 8.5156 9.1512 9.1512 9.5391 9.5391 10.8305 10.8305 10.9771 10.9771 11.0391 11.0391 11.6555 11.6555 11.6857 11.6857 k = 0.3659 0.5000 0.3659 ( 5976 PWs) bands (ev): -18.6438 -18.6438 -18.6281 -18.6281 -18.6143 -18.6143 -8.7415 -8.7415 -7.4586 -7.4586 -7.4577 -7.4577 -5.4371 -5.4371 -5.4115 -5.4115 -4.9455 -4.9455 -4.8955 -4.8955 -4.8884 -4.8884 -4.8481 -4.8481 -3.8233 -3.8233 -3.2938 -3.2938 -3.2641 -3.2641 -2.9907 -2.9907 -2.8840 -2.8840 -2.8419 -2.8419 2.2052 2.2052 5.4102 5.4102 5.5702 5.5702 5.6125 5.6125 8.4591 8.4591 9.0757 9.0757 9.5144 9.5144 10.8748 10.8748 11.0184 11.0184 11.0869 11.0869 11.6297 11.6297 11.6586 11.6586 k = 0.3537 0.5000 0.3537 ( 5968 PWs) bands (ev): -18.6466 -18.6466 -18.6281 -18.6281 -18.6119 -18.6119 -8.7282 -8.7282 -7.4588 -7.4588 -7.4578 -7.4578 -5.4386 -5.4386 -5.4079 -5.4079 -4.9533 -4.9533 -4.8957 -4.8957 -4.8874 -4.8874 -4.8496 -4.8496 -3.8131 -3.8131 -3.3056 -3.3056 -3.2689 -3.2689 -3.0003 -3.0003 -2.8951 -2.8951 -2.8485 -2.8485 2.2179 2.2179 5.4207 5.4207 5.6095 5.6095 5.6580 5.6580 8.4028 8.4028 9.0019 9.0019 9.4906 9.4906 10.9218 10.9218 11.0580 11.0580 11.1290 11.1290 11.5998 11.5998 11.6322 11.6322 k = 0.3415 0.5000 0.3415 ( 5964 PWs) bands (ev): -18.6496 -18.6496 -18.6282 -18.6282 -18.6094 -18.6094 -8.7141 -8.7141 -7.4590 -7.4590 -7.4579 -7.4579 -5.4404 -5.4404 -5.4041 -5.4041 -4.9615 -4.9615 -4.8958 -4.8958 -4.8865 -4.8865 -4.8511 -4.8511 -3.8023 -3.8023 -3.3190 -3.3190 -3.2740 -3.2740 -3.0098 -3.0098 -2.9063 -2.9063 -2.8554 -2.8554 2.2309 2.2309 5.4317 5.4317 5.6516 5.6516 5.7061 5.7061 8.3474 8.3474 8.9303 8.9303 9.4676 9.4676 10.9711 10.9711 11.0961 11.0961 11.1640 11.1640 11.5651 11.5651 11.6083 11.6083 k = 0.3293 0.5000 0.3293 ( 5964 PWs) bands (ev): -18.6528 -18.6528 -18.6283 -18.6283 -18.6068 -18.6068 -8.6992 -8.6992 -7.4593 -7.4593 -7.4581 -7.4581 -5.4426 -5.4426 -5.4000 -5.4000 -4.9703 -4.9703 -4.8960 -4.8960 -4.8855 -4.8855 -4.8526 -4.8526 -3.7907 -3.7907 -3.3341 -3.3341 -3.2793 -3.2793 -3.0190 -3.0190 -2.9174 -2.9174 -2.8625 -2.8625 2.2440 2.2440 5.4433 5.4433 5.6960 5.6960 5.7564 5.7564 8.2936 8.2936 8.8614 8.8614 9.4455 9.4455 11.0222 11.0222 11.1325 11.1325 11.1903 11.1903 11.5264 11.5264 11.5877 11.5877 k = 0.3171 0.5000 0.3171 ( 5960 PWs) bands (ev): -18.6561 -18.6561 -18.6284 -18.6284 -18.6040 -18.6040 -8.6835 -8.6835 -7.4595 -7.4595 -7.4582 -7.4582 -5.4451 -5.4451 -5.3957 -5.3957 -4.9794 -4.9794 -4.8962 -4.8962 -4.8847 -4.8847 -4.8540 -4.8540 -3.7785 -3.7785 -3.3508 -3.3508 -3.2848 -3.2848 -3.0276 -3.0276 -2.9285 -2.9285 -2.8697 -2.8697 2.2569 2.2569 5.4554 5.4554 5.7428 5.7428 5.8086 5.8086 8.2418 8.2418 8.7955 8.7955 9.4241 9.4241 11.0748 11.0748 11.1658 11.1658 11.2082 11.2082 11.4850 11.4850 11.5708 11.5708 k = 0.3049 0.5000 0.3049 ( 5956 PWs) bands (ev): -18.6594 -18.6594 -18.6285 -18.6285 -18.6012 -18.6012 -8.6672 -8.6672 -7.4598 -7.4598 -7.4584 -7.4584 -5.4482 -5.4482 -5.3911 -5.3911 -4.9888 -4.9888 -4.8965 -4.8965 -4.8838 -4.8838 -4.8555 -4.8555 -3.7658 -3.7658 -3.3692 -3.3692 -3.2904 -3.2904 -3.0355 -3.0355 -2.9395 -2.9395 -2.8770 -2.8770 2.2696 2.2696 5.4679 5.4679 5.7916 5.7916 5.8625 5.8625 8.1922 8.1922 8.7332 8.7332 9.4035 9.4035 11.1273 11.1273 11.1884 11.1884 11.2254 11.2254 11.4418 11.4418 11.5578 11.5578 k = 0.2927 0.5000 0.2927 ( 5966 PWs) bands (ev): -18.6629 -18.6629 -18.6286 -18.6286 -18.5982 -18.5982 -8.6503 -8.6503 -7.4600 -7.4600 -7.4585 -7.4585 -5.4518 -5.4518 -5.3862 -5.3862 -4.9985 -4.9985 -4.8968 -4.8968 -4.8831 -4.8831 -4.8570 -4.8570 -3.7526 -3.7526 -3.3891 -3.3891 -3.2961 -3.2961 -3.0425 -3.0425 -2.9505 -2.9505 -2.8843 -2.8843 2.2819 2.2819 5.4807 5.4807 5.8422 5.8422 5.9176 5.9176 8.1449 8.1449 8.6750 8.6750 9.3836 9.3836 11.1674 11.1674 11.2002 11.2002 11.2539 11.2539 11.3976 11.3976 11.5490 11.5490 k = 0.2805 0.5000 0.2805 ( 5966 PWs) bands (ev): -18.6665 -18.6665 -18.6287 -18.6287 -18.5952 -18.5952 -8.6330 -8.6330 -7.4602 -7.4602 -7.4587 -7.4587 -5.4559 -5.4559 -5.3810 -5.3810 -5.0083 -5.0083 -4.8971 -4.8971 -4.8824 -4.8824 -4.8585 -4.8585 -3.7390 -3.7390 -3.4104 -3.4104 -3.3017 -3.3017 -3.0489 -3.0489 -2.9613 -2.9613 -2.8915 -2.8915 2.2936 2.2936 5.4938 5.4938 5.8945 5.8945 5.9738 5.9738 8.0997 8.0997 8.6217 8.6217 9.3645 9.3645 11.1568 11.1568 11.2447 11.2447 11.2887 11.2887 11.3535 11.3535 11.5436 11.5436 k = 0.2683 0.5000 0.2683 ( 5972 PWs) bands (ev): -18.6701 -18.6701 -18.6288 -18.6288 -18.5922 -18.5922 -8.6153 -8.6153 -7.4604 -7.4604 -7.4589 -7.4589 -5.4607 -5.4607 -5.3756 -5.3756 -5.0181 -5.0181 -4.8974 -4.8974 -4.8819 -4.8819 -4.8599 -4.8599 -3.7250 -3.7250 -3.4328 -3.4328 -3.3071 -3.3071 -3.0546 -3.0546 -2.9719 -2.9719 -2.8987 -2.8987 2.3046 2.3046 5.5070 5.5070 5.9481 5.9481 6.0306 6.0306 8.0564 8.0564 8.5740 8.5740 9.3460 9.3460 11.1257 11.1257 11.2899 11.2899 11.3140 11.3140 11.3294 11.3294 11.5409 11.5409 k = 0.2561 0.5000 0.2561 ( 5964 PWs) bands (ev): -18.6737 -18.6737 -18.6289 -18.6289 -18.5891 -18.5891 -8.5972 -8.5972 -7.4606 -7.4606 -7.4590 -7.4590 -5.4660 -5.4660 -5.3699 -5.3699 -5.0280 -5.0280 -4.8977 -4.8977 -4.8816 -4.8816 -4.8613 -4.8613 -3.7108 -3.7108 -3.4559 -3.4559 -3.3124 -3.3124 -3.0600 -3.0600 -2.9820 -2.9820 -2.9057 -2.9057 2.3148 2.3148 5.5204 5.5204 6.0028 6.0028 6.0878 6.0878 8.0144 8.0144 8.5326 8.5326 9.3283 9.3283 11.0844 11.0844 11.2626 11.2626 11.3417 11.3417 11.3780 11.3780 11.5401 11.5401 k = 0.2439 0.5000 0.2439 ( 5972 PWs) bands (ev): -18.6773 -18.6773 -18.6290 -18.6290 -18.5860 -18.5860 -8.5790 -8.5790 -7.4607 -7.4607 -7.4592 -7.4592 -5.4720 -5.4720 -5.3639 -5.3639 -5.0377 -5.0377 -4.8981 -4.8981 -4.8815 -4.8815 -4.8626 -4.8626 -3.6966 -3.6966 -3.4795 -3.4795 -3.3175 -3.3175 -3.0654 -3.0654 -2.9913 -2.9913 -2.9125 -2.9125 2.3241 2.3241 5.5338 5.5338 6.0583 6.0583 6.1450 6.1450 7.9732 7.9732 8.4984 8.4984 9.3113 9.3113 11.0356 11.0356 11.2212 11.2212 11.3780 11.3780 11.4344 11.4344 11.5410 11.5410 k = 0.2317 0.5000 0.2317 ( 5978 PWs) bands (ev): -18.6809 -18.6809 -18.6291 -18.6291 -18.5829 -18.5829 -8.5607 -8.5607 -7.4609 -7.4609 -7.4593 -7.4593 -5.4787 -5.4787 -5.3576 -5.3576 -5.0473 -5.0473 -4.8986 -4.8986 -4.8817 -4.8817 -4.8638 -4.8638 -3.6825 -3.6825 -3.5031 -3.5031 -3.3223 -3.3223 -3.0714 -3.0714 -2.9993 -2.9993 -2.9190 -2.9190 2.3324 2.3324 5.5471 5.5471 6.1144 6.1144 6.2019 6.2019 7.9324 7.9324 8.4719 8.4719 9.2952 9.2952 10.9810 10.9810 11.1811 11.1811 11.4118 11.4118 11.4938 11.4938 11.5437 11.5437 k = 0.2195 0.5000 0.2195 ( 5970 PWs) bands (ev): -18.6845 -18.6845 -18.6292 -18.6292 -18.5798 -18.5798 -8.5424 -8.5424 -7.4610 -7.4610 -7.4595 -7.4595 -5.4859 -5.4859 -5.3510 -5.3510 -5.0566 -5.0566 -4.8990 -4.8990 -4.8821 -4.8821 -4.8649 -4.8649 -3.6690 -3.6690 -3.5262 -3.5262 -3.3269 -3.3269 -3.0786 -3.0786 -3.0057 -3.0057 -2.9253 -2.9253 2.3396 2.3396 5.5603 5.5603 6.1707 6.1707 6.2582 6.2582 7.8915 7.8915 8.4537 8.4537 9.2799 9.2799 10.9222 10.9222 11.1431 11.1431 11.4435 11.4435 11.5463 11.5463 11.5573 11.5573 k = 0.2073 0.5000 0.2073 ( 5972 PWs) bands (ev): -18.6880 -18.6880 -18.6293 -18.6293 -18.5768 -18.5768 -8.5242 -8.5242 -7.4611 -7.4611 -7.4597 -7.4597 -5.4937 -5.4937 -5.3442 -5.3442 -5.0657 -5.0657 -4.8995 -4.8995 -4.8829 -4.8829 -4.8658 -4.8658 -3.6567 -3.6567 -3.5476 -3.5476 -3.3311 -3.3311 -3.0872 -3.0872 -3.0102 -3.0102 -2.9313 -2.9313 2.3459 2.3459 5.5733 5.5733 6.2269 6.2269 6.3137 6.3137 7.8503 7.8503 8.4437 8.4437 9.2657 9.2657 10.8605 10.8605 11.1076 11.1076 11.4727 11.4727 11.5563 11.5563 11.6180 11.6180 k = 0.1951 0.5000 0.1951 ( 5976 PWs) bands (ev): -18.6914 -18.6914 -18.6294 -18.6294 -18.5738 -18.5738 -8.5063 -8.5063 -7.4612 -7.4612 -7.4598 -7.4598 -5.5019 -5.5019 -5.3370 -5.3370 -5.0746 -5.0746 -4.8999 -4.8999 -4.8841 -4.8841 -4.8665 -4.8665 -3.6477 -3.6477 -3.5654 -3.5654 -3.3350 -3.3350 -3.0974 -3.0974 -3.0128 -3.0128 -2.9368 -2.9368 2.3511 2.3511 5.5860 5.5860 6.2827 6.2827 6.3680 6.3680 7.8089 7.8089 8.4418 8.4418 9.2526 9.2526 10.7971 10.7971 11.0747 11.0747 11.4978 11.4978 11.5699 11.5699 11.6811 11.6811 k = 0.1829 0.5000 0.1829 ( 5976 PWs) bands (ev): -18.6948 -18.6948 -18.6295 -18.6295 -18.5710 -18.5710 -8.4887 -8.4887 -7.4613 -7.4613 -7.4600 -7.4600 -5.5106 -5.5106 -5.3297 -5.3297 -5.0832 -5.0832 -4.9004 -4.9004 -4.8855 -4.8855 -4.8670 -4.8670 -3.6459 -3.6459 -3.5755 -3.5755 -3.3386 -3.3386 -3.1091 -3.1091 -3.0137 -3.0137 -2.9420 -2.9420 2.3553 2.3553 5.5983 5.5983 6.3377 6.3377 6.4209 6.4209 7.7675 7.7675 8.4476 8.4476 9.2409 9.2409 10.7331 10.7331 11.0448 11.0448 11.5178 11.5178 11.5898 11.5898 11.7452 11.7452 k = 0.1707 0.5000 0.1707 ( 5964 PWs) bands (ev): -18.6980 -18.6980 -18.6296 -18.6296 -18.5682 -18.5682 -8.4715 -8.4715 -7.4613 -7.4613 -7.4601 -7.4601 -5.5195 -5.5195 -5.3220 -5.3220 -5.0915 -5.0915 -4.9010 -4.9010 -4.8872 -4.8872 -4.8673 -4.8673 -3.6541 -3.6541 -3.5746 -3.5746 -3.3418 -3.3418 -3.1220 -3.1220 -3.0133 -3.0133 -2.9467 -2.9467 2.3586 2.3586 5.6102 5.6102 6.3917 6.3917 6.4720 6.4720 7.7263 7.7263 8.4602 8.4602 9.2307 9.2307 10.6695 10.6695 11.0177 11.0177 11.5338 11.5338 11.6151 11.6151 11.8100 11.8100 k = 0.1585 0.5000 0.1585 ( 5964 PWs) bands (ev): -18.7011 -18.7011 -18.6297 -18.6297 -18.5655 -18.5655 -8.4549 -8.4549 -7.4613 -7.4613 -7.4603 -7.4603 -5.5286 -5.5286 -5.3142 -5.3142 -5.0996 -5.0996 -4.9015 -4.9015 -4.8892 -4.8892 -4.8676 -4.8676 -3.6692 -3.6692 -3.5659 -3.5659 -3.3447 -3.3447 -3.1358 -3.1358 -3.0120 -3.0120 -2.9508 -2.9508 2.3610 2.3610 5.6216 5.6216 6.4442 6.4442 6.5211 6.5211 7.6859 7.6859 8.4788 8.4788 9.2223 9.2223 10.6072 10.6072 10.9937 10.9937 11.5480 11.5480 11.6435 11.6435 11.8755 11.8755 k = 0.1463 0.5000 0.1463 ( 5976 PWs) bands (ev): -18.7040 -18.7040 -18.6298 -18.6298 -18.5629 -18.5629 -8.4390 -8.4390 -7.4614 -7.4614 -7.4604 -7.4604 -5.5378 -5.5378 -5.3061 -5.3061 -5.1075 -5.1075 -4.9020 -4.9020 -4.8912 -4.8912 -4.8677 -4.8677 -3.6869 -3.6869 -3.5536 -3.5536 -3.3473 -3.3473 -3.1503 -3.1503 -3.0102 -3.0102 -2.9543 -2.9543 2.3626 2.3626 5.6324 5.6324 6.4948 6.4948 6.5680 6.5680 7.6464 7.6464 8.5021 8.5021 9.2162 9.2162 10.5471 10.5471 10.9726 10.9726 11.5619 11.5619 11.6735 11.6735 11.9415 11.9415 k = 0.1341 0.5000 0.1341 ( 5984 PWs) bands (ev): -18.7068 -18.7068 -18.6299 -18.6299 -18.5605 -18.5605 -8.4239 -8.4239 -7.4614 -7.4614 -7.4605 -7.4605 -5.5469 -5.5469 -5.2979 -5.2979 -5.1152 -5.1152 -4.9026 -4.9026 -4.8934 -4.8934 -4.8678 -4.8678 -3.7050 -3.7050 -3.5397 -3.5397 -3.3495 -3.3495 -3.1654 -3.1654 -3.0083 -3.0083 -2.9570 -2.9570 2.3635 2.3635 5.6425 5.6425 6.5432 6.5432 6.6125 6.6125 7.6085 7.6085 8.5291 8.5291 9.2125 9.2125 10.4896 10.4896 10.9543 10.9543 11.5765 11.5765 11.7039 11.7039 12.0079 12.0079 k = 0.1220 0.5000 0.1220 ( 5970 PWs) bands (ev): -18.7093 -18.7093 -18.6299 -18.6299 -18.5582 -18.5582 -8.4097 -8.4097 -7.4614 -7.4614 -7.4606 -7.4606 -5.5557 -5.5557 -5.2896 -5.2896 -5.1227 -5.1227 -4.9031 -4.9031 -4.8956 -4.8956 -4.8679 -4.8679 -3.7226 -3.7226 -3.5251 -3.5251 -3.3515 -3.3515 -3.1810 -3.1810 -3.0065 -3.0065 -2.9588 -2.9588 2.3638 2.3638 5.6520 5.6520 6.5890 6.5890 6.6542 6.6542 7.5724 7.5724 8.5583 8.5583 9.2117 9.2117 10.4356 10.4356 10.9388 10.9388 11.5920 11.5920 11.7341 11.7341 12.0744 12.0744 k = 0.1098 0.5000 0.1098 ( 5980 PWs) bands (ev): -18.7117 -18.7117 -18.6300 -18.6300 -18.5561 -18.5561 -8.3964 -8.3964 -7.4614 -7.4614 -7.4608 -7.4608 -5.5642 -5.5642 -5.2812 -5.2812 -5.1301 -5.1301 -4.9037 -4.9037 -4.8977 -4.8977 -4.8679 -4.8679 -3.7391 -3.7391 -3.5101 -3.5101 -3.3531 -3.3531 -3.1968 -3.1968 -3.0051 -3.0051 -2.9597 -2.9597 2.3637 2.3637 5.6608 5.6608 6.6318 6.6318 6.6930 6.6930 7.5385 7.5385 8.5883 8.5883 9.2140 9.2140 10.3853 10.3853 10.9258 10.9258 11.6084 11.6084 11.7634 11.7634 12.1400 12.1400 k = 0.0976 0.5000 0.0976 ( 5984 PWs) bands (ev): -18.7139 -18.7139 -18.6301 -18.6301 -18.5542 -18.5542 -8.3843 -8.3843 -7.4614 -7.4614 -7.4609 -7.4609 -5.5722 -5.5722 -5.2727 -5.2727 -5.1374 -5.1374 -4.9044 -4.9044 -4.8996 -4.8996 -4.8679 -4.8679 -3.7543 -3.7543 -3.4949 -3.4949 -3.3544 -3.3544 -3.2128 -3.2128 -3.0043 -3.0043 -2.9596 -2.9596 2.3632 2.3632 5.6687 5.6687 6.6712 6.6712 6.7287 6.7287 7.5071 7.5071 8.6178 8.6178 9.2198 9.2198 10.3394 10.3394 10.9151 10.9151 11.6256 11.6256 11.7914 11.7914 12.1518 12.1518 k = 0.0854 0.5000 0.0854 ( 5976 PWs) bands (ev): -18.7158 -18.7158 -18.6301 -18.6301 -18.5525 -18.5525 -8.3734 -8.3734 -7.4614 -7.4614 -7.4609 -7.4609 -5.5796 -5.5796 -5.2642 -5.2642 -5.1447 -5.1447 -4.9052 -4.9052 -4.9013 -4.9013 -4.8679 -4.8679 -3.7681 -3.7681 -3.4798 -3.4798 -3.3553 -3.3553 -3.2289 -3.2289 -3.0041 -3.0041 -2.9588 -2.9588 2.3624 2.3624 5.6758 5.6758 6.7069 6.7069 6.7610 6.7610 7.4785 7.4785 8.6454 8.6454 9.2288 9.2288 10.2981 10.2981 10.9065 10.9065 11.6432 11.6432 11.8169 11.8169 12.0994 12.0994 k = 0.0732 0.5000 0.0732 ( 5980 PWs) bands (ev): -18.7175 -18.7175 -18.6302 -18.6302 -18.5510 -18.5510 -8.3637 -8.3637 -7.4613 -7.4613 -7.4610 -7.4610 -5.5862 -5.5862 -5.2558 -5.2558 -5.1518 -5.1518 -4.9062 -4.9062 -4.9025 -4.9025 -4.8679 -4.8679 -3.7802 -3.7802 -3.4648 -3.4648 -3.3558 -3.3558 -3.2450 -3.2450 -3.0042 -3.0042 -2.9574 -2.9574 2.3616 2.3616 5.6821 5.6821 6.7384 6.7384 6.7899 6.7899 7.4530 7.4530 8.6701 8.6701 9.2408 9.2408 10.2617 10.2617 10.8997 10.8997 11.6607 11.6607 11.8382 11.8382 12.0496 12.0496 k = 0.0610 0.5000 0.0610 ( 5974 PWs) bands (ev): -18.7190 -18.7190 -18.6302 -18.6302 -18.5497 -18.5497 -8.3554 -8.3554 -7.4613 -7.4613 -7.4611 -7.4611 -5.5920 -5.5920 -5.2476 -5.2476 -5.1589 -5.1589 -4.9073 -4.9073 -4.9034 -4.9034 -4.8679 -4.8679 -3.7906 -3.7906 -3.4502 -3.4502 -3.3558 -3.3558 -3.2610 -3.2610 -3.0047 -3.0047 -2.9558 -2.9558 2.3606 2.3606 5.6874 5.6874 6.7655 6.7655 6.8149 6.8149 7.4308 7.4308 8.6911 8.6911 9.2548 9.2548 10.2306 10.2306 10.8945 10.8945 11.6777 11.6777 11.8520 11.8520 12.0081 12.0081 k = 0.0488 0.5000 0.0488 ( 5964 PWs) bands (ev): -18.7202 -18.7202 -18.6303 -18.6303 -18.5487 -18.5487 -8.3484 -8.3484 -7.4613 -7.4613 -7.4612 -7.4612 -5.5969 -5.5969 -5.2395 -5.2395 -5.1659 -5.1659 -4.9085 -4.9085 -4.9039 -4.9039 -4.8680 -4.8680 -3.7992 -3.7992 -3.4364 -3.4364 -3.3551 -3.3551 -3.2767 -3.2767 -3.0052 -3.0052 -2.9541 -2.9541 2.3597 2.3597 5.6918 5.6918 6.7879 6.7879 6.8360 6.8360 7.4122 7.4122 8.7081 8.7081 9.2695 9.2695 10.2048 10.2048 10.8907 10.8907 11.6932 11.6932 11.8532 11.8532 11.9816 11.9816 k = 0.0366 0.5000 0.0366 ( 5966 PWs) bands (ev): -18.7211 -18.7211 -18.6303 -18.6303 -18.5478 -18.5478 -8.3430 -8.3430 -7.4613 -7.4613 -7.4612 -7.4612 -5.6008 -5.6008 -5.2320 -5.2320 -5.1726 -5.1726 -4.9095 -4.9095 -4.9043 -4.9043 -4.8680 -4.8680 -3.8060 -3.8060 -3.4238 -3.4238 -3.3534 -3.3534 -3.2920 -3.2920 -3.0058 -3.0058 -2.9526 -2.9526 2.3590 2.3590 5.6953 5.6953 6.8055 6.8055 6.8527 6.8527 7.3974 7.3974 8.7211 8.7211 9.2835 9.2835 10.1846 10.1846 10.8880 10.8880 11.7066 11.7066 11.8406 11.8406 11.9727 11.9727 k = 0.0244 0.5000 0.0244 ( 5954 PWs) bands (ev): -18.7218 -18.7218 -18.6303 -18.6303 -18.5472 -18.5472 -8.3391 -8.3391 -7.4613 -7.4613 -7.4612 -7.4612 -5.6036 -5.6036 -5.2252 -5.2252 -5.1787 -5.1787 -4.9103 -4.9103 -4.9045 -4.9045 -4.8680 -4.8680 -3.8108 -3.8108 -3.4135 -3.4135 -3.3500 -3.3500 -3.3063 -3.3063 -3.0062 -3.0062 -2.9514 -2.9514 2.3584 2.3584 5.6978 5.6978 6.8181 6.8181 6.8650 6.8650 7.3867 7.3867 8.7301 8.7301 9.2949 9.2949 10.1701 10.1701 10.8862 10.8862 11.7170 11.7170 11.8230 11.8230 11.9739 11.9739 k = 0.0122 0.5000 0.0122 ( 5942 PWs) bands (ev): -18.7222 -18.7222 -18.6303 -18.6303 -18.5469 -18.5469 -8.3367 -8.3367 -7.4613 -7.4613 -7.4612 -7.4612 -5.6053 -5.6053 -5.2201 -5.2201 -5.1834 -5.1834 -4.9108 -4.9108 -4.9047 -4.9047 -4.8680 -4.8680 -3.8137 -3.8137 -3.4066 -3.4066 -3.3448 -3.3448 -3.3188 -3.3188 -3.0065 -3.0065 -2.9506 -2.9506 2.3580 2.3580 5.6993 5.6993 6.8257 6.8257 6.8724 6.8724 7.3802 7.3802 8.7354 8.7354 9.3025 9.3025 10.1613 10.1613 10.8851 10.8851 11.7236 11.7236 11.8096 11.8096 11.9771 11.9771 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -18.7223 -18.7223 -18.6303 -18.6303 -18.5468 -18.5468 -8.3359 -8.3359 -7.4613 -7.4613 -7.4613 -7.4613 -5.6059 -5.6059 -5.2181 -5.2181 -5.1853 -5.1853 -4.9109 -4.9109 -4.9047 -4.9047 -4.8680 -4.8680 -3.8147 -3.8147 -3.4042 -3.4042 -3.3408 -3.3408 -3.3254 -3.3254 -3.0066 -3.0066 -2.9504 -2.9504 2.3579 2.3579 5.6998 5.6998 6.8283 6.8283 6.8749 6.8749 7.3780 7.3780 8.7371 8.7371 9.3051 9.3051 10.1584 10.1584 10.8848 10.8848 11.7259 11.7259 11.8047 11.8047 11.9786 11.9786 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -18.6351 -18.6351 -18.6289 -18.6289 -18.6289 -18.6289 -8.5775 -8.5775 -7.4622 -7.4622 -7.4590 -7.4590 -5.4411 -5.4411 -5.3832 -5.3832 -5.0952 -5.0952 -4.9029 -4.9029 -4.8663 -4.8663 -4.8310 -4.8310 -3.6222 -3.6222 -3.4679 -3.4679 -3.3848 -3.3848 -3.1391 -3.1391 -2.9871 -2.9871 -2.8659 -2.8659 2.4014 2.4014 5.5200 5.5200 5.5413 5.5413 6.7315 6.7315 7.9317 7.9317 8.5259 8.5259 8.6939 8.6939 11.3302 11.3302 11.4011 11.4011 11.8526 11.8526 11.8969 11.8969 12.0385 12.0385 k = 0.5000 0.5000 0.0172 ( 5992 PWs) bands (ev): -18.6350 -18.6350 -18.6289 -18.6289 -18.6289 -18.6289 -8.5783 -8.5783 -7.4622 -7.4622 -7.4590 -7.4590 -5.4411 -5.4411 -5.3832 -5.3832 -5.0945 -5.0945 -4.9029 -4.9029 -4.8664 -4.8664 -4.8311 -4.8311 -3.6238 -3.6238 -3.4671 -3.4671 -3.3836 -3.3836 -3.1387 -3.1387 -2.9866 -2.9866 -2.8659 -2.8659 2.4006 2.4006 5.5195 5.5195 5.5407 5.5407 6.7269 6.7269 7.9337 7.9337 8.5280 8.5280 8.6962 8.6962 11.3306 11.3306 11.4014 11.4014 11.8488 11.8488 11.8953 11.8953 11.9946 11.9946 k = 0.5000 0.5000 0.0345 ( 5976 PWs) bands (ev): -18.6350 -18.6350 -18.6289 -18.6289 -18.6288 -18.6288 -8.5805 -8.5805 -7.4621 -7.4621 -7.4590 -7.4590 -5.4410 -5.4410 -5.3835 -5.3835 -5.0925 -5.0925 -4.9028 -4.9028 -4.8666 -4.8666 -4.8313 -4.8313 -3.6283 -3.6283 -3.4645 -3.4645 -3.3800 -3.3800 -3.1375 -3.1375 -2.9850 -2.9850 -2.8658 -2.8658 2.3980 2.3980 5.5179 5.5179 5.5391 5.5391 6.7133 6.7133 7.9398 7.9398 8.5342 8.5342 8.7030 8.7030 11.3317 11.3317 11.4025 11.4025 11.8314 11.8314 11.8906 11.8906 11.9261 11.9261 k = 0.5000 0.5000 0.0517 ( 5976 PWs) bands (ev): -18.6349 -18.6349 -18.6288 -18.6288 -18.6288 -18.6288 -8.5843 -8.5843 -7.4621 -7.4621 -7.4589 -7.4589 -5.4409 -5.4409 -5.3839 -5.3839 -5.0891 -5.0891 -4.9027 -4.9027 -4.8670 -4.8670 -4.8317 -4.8317 -3.6355 -3.6355 -3.4603 -3.4603 -3.3743 -3.3743 -3.1354 -3.1354 -2.9824 -2.9824 -2.8656 -2.8656 2.3937 2.3937 5.5154 5.5154 5.5363 5.5363 6.6907 6.6907 7.9498 7.9498 8.5445 8.5445 8.7142 8.7142 11.3335 11.3335 11.4043 11.4043 11.7809 11.7809 11.8827 11.8827 11.8843 11.8843 k = 0.5000 0.5000 0.0690 ( 5972 PWs) bands (ev): -18.6347 -18.6347 -18.6288 -18.6288 -18.6288 -18.6288 -8.5895 -8.5895 -7.4620 -7.4620 -7.4589 -7.4589 -5.4407 -5.4407 -5.3845 -5.3845 -5.0844 -5.0844 -4.9025 -4.9025 -4.8676 -4.8676 -4.8322 -4.8322 -3.6449 -3.6449 -3.4545 -3.4545 -3.3671 -3.3671 -3.1325 -3.1325 -2.9789 -2.9789 -2.8654 -2.8654 2.3878 2.3878 5.5119 5.5119 5.5325 5.5325 6.6598 6.6598 7.9638 7.9638 8.5589 8.5589 8.7299 8.7299 11.3359 11.3359 11.4065 11.4065 11.7050 11.7050 11.8669 11.8669 11.8717 11.8717 k = 0.5000 0.5000 0.0862 ( 5980 PWs) bands (ev): -18.6345 -18.6345 -18.6288 -18.6288 -18.6288 -18.6288 -8.5961 -8.5961 -7.4618 -7.4618 -7.4589 -7.4589 -5.4404 -5.4404 -5.3853 -5.3853 -5.0786 -5.0786 -4.9024 -4.9024 -4.8683 -4.8683 -4.8328 -4.8328 -3.6560 -3.6560 -3.4471 -3.4471 -3.3588 -3.3588 -3.1288 -3.1288 -2.9743 -2.9743 -2.8651 -2.8651 2.3804 2.3804 5.5074 5.5074 5.5278 5.5278 6.6209 6.6209 7.9817 7.9817 8.5774 8.5774 8.7500 8.7500 11.3386 11.3386 11.4089 11.4089 11.6241 11.6241 11.8550 11.8550 11.8578 11.8578 k = 0.5000 0.5000 0.1034 ( 5980 PWs) bands (ev): -18.6343 -18.6343 -18.6288 -18.6288 -18.6287 -18.6287 -8.6039 -8.6039 -7.4617 -7.4617 -7.4588 -7.4588 -5.4401 -5.4401 -5.3863 -5.3863 -5.0716 -5.0716 -4.9021 -4.9021 -4.8691 -4.8691 -4.8335 -4.8335 -3.6683 -3.6683 -3.4384 -3.4384 -3.3498 -3.3498 -3.1242 -3.1242 -2.9688 -2.9688 -2.8648 -2.8648 2.3715 2.3715 5.5021 5.5021 5.5220 5.5220 6.5747 6.5747 8.0033 8.0033 8.6000 8.6000 8.7742 8.7742 11.3413 11.3413 11.4113 11.4113 11.5441 11.5441 11.8411 11.8411 11.8434 11.8434 k = 0.5000 0.5000 0.1207 ( 5976 PWs) bands (ev): -18.6340 -18.6340 -18.6287 -18.6287 -18.6287 -18.6287 -8.6128 -8.6128 -7.4615 -7.4615 -7.4587 -7.4587 -5.4397 -5.4397 -5.3875 -5.3875 -5.0636 -5.0636 -4.9018 -4.9018 -4.8701 -4.8701 -4.8344 -4.8344 -3.6815 -3.6815 -3.4284 -3.4284 -3.3405 -3.3405 -3.1187 -3.1187 -2.9624 -2.9624 -2.8643 -2.8643 2.3613 2.3613 5.4960 5.4960 5.5154 5.5154 6.5220 6.5220 8.0286 8.0286 8.6267 8.6267 8.8026 8.8026 11.3434 11.3434 11.4131 11.4131 11.4670 11.4670 11.8220 11.8220 11.8307 11.8307 k = 0.5000 0.5000 0.1379 ( 5980 PWs) bands (ev): -18.6337 -18.6337 -18.6287 -18.6287 -18.6286 -18.6286 -8.6227 -8.6227 -7.4613 -7.4613 -7.4586 -7.4586 -5.4393 -5.4393 -5.3890 -5.3890 -5.0547 -5.0547 -4.9015 -4.9015 -4.8712 -4.8712 -4.8353 -4.8353 -3.6953 -3.6953 -3.4173 -3.4173 -3.3312 -3.3312 -3.1123 -3.1123 -2.9551 -2.9551 -2.8637 -2.8637 2.3499 2.3499 5.4892 5.4892 5.5080 5.5080 6.4635 6.4635 8.0574 8.0574 8.6573 8.6573 8.8348 8.8348 11.3421 11.3421 11.3956 11.3956 11.4136 11.4136 11.8010 11.8010 11.8166 11.8166 k = 0.5000 0.5000 0.1552 ( 5988 PWs) bands (ev): -18.6334 -18.6334 -18.6286 -18.6286 -18.6286 -18.6286 -8.6335 -8.6335 -7.4611 -7.4611 -7.4586 -7.4586 -5.4389 -5.4389 -5.3908 -5.3908 -5.0450 -5.0450 -4.9012 -4.9012 -4.8724 -4.8724 -4.8362 -4.8362 -3.7094 -3.7094 -3.4053 -3.4053 -3.3220 -3.3220 -3.1050 -3.1050 -2.9471 -2.9471 -2.8631 -2.8631 2.3376 2.3376 5.4817 5.4817 5.4999 5.4999 6.4002 6.4002 8.0895 8.0895 8.6919 8.6919 8.8707 8.8707 11.3095 11.3095 11.3574 11.3574 11.4118 11.4118 11.7792 11.7792 11.8011 11.8011 k = 0.5000 0.5000 0.1724 ( 5996 PWs) bands (ev): -18.6331 -18.6331 -18.6286 -18.6286 -18.6285 -18.6285 -8.6451 -8.6451 -7.4608 -7.4608 -7.4585 -7.4585 -5.4384 -5.4384 -5.3927 -5.3927 -5.0348 -5.0348 -4.9008 -4.9008 -4.8737 -4.8737 -4.8372 -4.8372 -3.7235 -3.7235 -3.3927 -3.3927 -3.3132 -3.3132 -3.0967 -3.0967 -2.9385 -2.9385 -2.8623 -2.8623 2.3243 2.3243 5.4736 5.4736 5.4912 5.4912 6.3328 6.3328 8.1249 8.1249 8.7303 8.7303 8.9101 8.9101 11.2452 11.2452 11.3523 11.3523 11.4063 11.4063 11.7578 11.7578 11.7845 11.7845 k = 0.5000 0.5000 0.1897 ( 5980 PWs) bands (ev): -18.6327 -18.6327 -18.6285 -18.6285 -18.6285 -18.6285 -8.6572 -8.6572 -7.4606 -7.4606 -7.4584 -7.4584 -5.4379 -5.4379 -5.3949 -5.3949 -5.0241 -5.0241 -4.9004 -4.9004 -4.8751 -4.8751 -4.8381 -4.8381 -3.7375 -3.7375 -3.3796 -3.3796 -3.3048 -3.3048 -3.0875 -3.0875 -2.9293 -2.9293 -2.8613 -2.8613 2.3104 2.3104 5.4651 5.4651 5.4819 5.4819 6.2624 6.2624 8.1632 8.1632 8.7725 8.7725 8.9528 8.9528 11.1806 11.1806 11.3479 11.3479 11.3955 11.3955 11.7385 11.7385 11.7676 11.7676 k = 0.5000 0.5000 0.2069 ( 5980 PWs) bands (ev): -18.6323 -18.6323 -18.6284 -18.6284 -18.6284 -18.6284 -8.6697 -8.6697 -7.4603 -7.4603 -7.4583 -7.4583 -5.4374 -5.4374 -5.3973 -5.3973 -5.0132 -5.0132 -4.9000 -4.9000 -4.8765 -4.8765 -4.8390 -4.8390 -3.7513 -3.7513 -3.3662 -3.3662 -3.2970 -3.2970 -3.0774 -3.0774 -2.9197 -2.9197 -2.8602 -2.8602 2.2959 2.2959 5.4562 5.4562 5.4723 5.4723 6.1898 6.1898 8.2042 8.2042 8.8184 8.8184 8.9984 8.9984 11.1189 11.1189 11.3401 11.3401 11.3778 11.3778 11.7229 11.7229 11.7512 11.7512 k = 0.5000 0.5000 0.2241 ( 5972 PWs) bands (ev): -18.6319 -18.6319 -18.6284 -18.6284 -18.6283 -18.6283 -8.6825 -8.6825 -7.4600 -7.4600 -7.4582 -7.4582 -5.4369 -5.4369 -5.3999 -5.3999 -5.0021 -5.0021 -4.8996 -4.8996 -4.8780 -4.8780 -4.8399 -4.8399 -3.7647 -3.7647 -3.3529 -3.3529 -3.2897 -3.2897 -3.0664 -3.0664 -2.9098 -2.9098 -2.8588 -2.8588 2.2811 2.2811 5.4471 5.4471 5.4624 5.4624 6.1159 6.1159 8.2478 8.2478 8.8678 8.8678 9.0467 9.0467 11.0603 11.0603 11.3271 11.3271 11.3519 11.3519 11.7123 11.7123 11.7364 11.7364 k = 0.5000 0.5000 0.2414 ( 5972 PWs) bands (ev): -18.6316 -18.6316 -18.6283 -18.6283 -18.6283 -18.6283 -8.6954 -8.6954 -7.4598 -7.4598 -7.4581 -7.4581 -5.4363 -5.4363 -5.4026 -5.4026 -4.9912 -4.9912 -4.8992 -4.8992 -4.8796 -4.8796 -4.8407 -4.8407 -3.7776 -3.7776 -3.3398 -3.3398 -3.2829 -3.2829 -3.0547 -3.0547 -2.8997 -2.8997 -2.8572 -2.8572 2.2661 2.2661 5.4378 5.4378 5.4523 5.4523 6.0416 6.0416 8.2935 8.2935 8.9205 8.9205 9.0973 9.0973 11.0051 11.0051 11.3075 11.3075 11.3176 11.3176 11.7073 11.7073 11.7244 11.7244 k = 0.5000 0.5000 0.2586 ( 5964 PWs) bands (ev): -18.6311 -18.6311 -18.6282 -18.6282 -18.6282 -18.6282 -8.7082 -8.7082 -7.4595 -7.4595 -7.4579 -7.4579 -5.4358 -5.4358 -5.4053 -5.4053 -4.9805 -4.9805 -4.8988 -4.8988 -4.8811 -4.8811 -4.8413 -4.8413 -3.7899 -3.7899 -3.3271 -3.3271 -3.2768 -3.2768 -3.0423 -3.0423 -2.8895 -2.8895 -2.8553 -2.8553 2.2512 2.2512 5.4285 5.4285 5.4422 5.4422 5.9677 5.9677 8.3411 8.3411 8.9764 8.9764 9.1499 9.1499 10.9533 10.9533 11.2756 11.2756 11.2805 11.2805 11.7074 11.7074 11.7159 11.7159 k = 0.5000 0.5000 0.2759 ( 5972 PWs) bands (ev): -18.6308 -18.6308 -18.6282 -18.6282 -18.6282 -18.6282 -8.7208 -8.7208 -7.4592 -7.4592 -7.4578 -7.4578 -5.4353 -5.4353 -5.4081 -5.4081 -4.9701 -4.9701 -4.8983 -4.8983 -4.8826 -4.8826 -4.8419 -4.8419 -3.8017 -3.8017 -3.3151 -3.3151 -3.2712 -3.2712 -3.0295 -3.0295 -2.8795 -2.8795 -2.8530 -2.8530 2.2365 2.2365 5.4193 5.4193 5.4321 5.4321 5.8950 5.8950 8.3901 8.3901 9.0353 9.0353 9.2040 9.2040 10.9050 10.9050 11.2269 11.2269 11.2457 11.2457 11.7114 11.7114 11.7117 11.7117 k = 0.5000 0.5000 0.2931 ( 5968 PWs) bands (ev): -18.6304 -18.6304 -18.6281 -18.6281 -18.6281 -18.6281 -8.7331 -8.7331 -7.4589 -7.4589 -7.4577 -7.4577 -5.4348 -5.4348 -5.4110 -5.4110 -4.9603 -4.9603 -4.8979 -4.8979 -4.8842 -4.8842 -4.8422 -4.8422 -3.8127 -3.8127 -3.3037 -3.3037 -3.2661 -3.2661 -3.0165 -3.0165 -2.8696 -2.8696 -2.8503 -2.8503 2.2221 2.2221 5.4102 5.4102 5.4223 5.4223 5.8243 5.8243 8.4402 8.4402 9.0968 9.0968 9.2593 9.2593 10.8601 10.8601 11.1730 11.1730 11.2034 11.2034 11.7107 11.7107 11.7191 11.7191 k = 0.5000 0.5000 0.3103 ( 5968 PWs) bands (ev): -18.6300 -18.6300 -18.6280 -18.6280 -18.6280 -18.6280 -8.7449 -8.7449 -7.4586 -7.4586 -7.4576 -7.4576 -5.4343 -5.4343 -5.4138 -5.4138 -4.9511 -4.9511 -4.8975 -4.8975 -4.8856 -4.8856 -4.8424 -4.8424 -3.8230 -3.8230 -3.2933 -3.2933 -3.2615 -3.2615 -3.0037 -3.0037 -2.8601 -2.8601 -2.8471 -2.8471 2.2082 2.2082 5.4015 5.4015 5.4127 5.4127 5.7564 5.7564 8.4908 8.4908 9.1606 9.1606 9.3152 9.3152 10.8187 10.8187 11.1152 11.1152 11.1543 11.1543 11.7132 11.7132 11.7286 11.7286 k = 0.5000 0.5000 0.3276 ( 5980 PWs) bands (ev): -18.6296 -18.6296 -18.6280 -18.6280 -18.6280 -18.6280 -8.7561 -8.7561 -7.4584 -7.4584 -7.4575 -7.4575 -5.4339 -5.4339 -5.4165 -5.4165 -4.9426 -4.9426 -4.8971 -4.8971 -4.8871 -4.8871 -4.8424 -4.8424 -3.8325 -3.8325 -3.2837 -3.2837 -3.2575 -3.2575 -2.9913 -2.9913 -2.8510 -2.8510 -2.8434 -2.8434 2.1950 2.1950 5.3931 5.3931 5.4036 5.4036 5.6919 5.6919 8.5414 8.5414 9.2264 9.2264 9.3713 9.3713 10.7809 10.7809 11.0549 11.0549 11.0994 11.0994 11.7182 11.7182 11.7394 11.7394 k = 0.5000 0.5000 0.3448 ( 5972 PWs) bands (ev): -18.6293 -18.6293 -18.6279 -18.6279 -18.6279 -18.6279 -8.7667 -8.7667 -7.4581 -7.4581 -7.4574 -7.4574 -5.4335 -5.4335 -5.4190 -5.4190 -4.9350 -4.9350 -4.8967 -4.8967 -4.8884 -4.8884 -4.8421 -4.8421 -3.8412 -3.8412 -3.2751 -3.2751 -3.2539 -3.2539 -2.9797 -2.9797 -2.8425 -2.8425 -2.8391 -2.8391 2.1826 2.1826 5.3852 5.3852 5.3950 5.3950 5.6315 5.6315 8.5913 8.5913 9.2937 9.2937 9.4269 9.4269 10.7465 10.7465 10.9934 10.9934 11.0400 11.0400 11.7250 11.7250 11.7505 11.7505 k = 0.5000 0.5000 0.3621 ( 5956 PWs) bands (ev): -18.6289 -18.6289 -18.6279 -18.6279 -18.6279 -18.6279 -8.7763 -8.7763 -7.4579 -7.4579 -7.4573 -7.4573 -5.4331 -5.4331 -5.4215 -5.4215 -4.9282 -4.9282 -4.8964 -4.8964 -4.8896 -4.8896 -4.8417 -4.8417 -3.8491 -3.8491 -3.2675 -3.2675 -3.2507 -3.2507 -2.9692 -2.9692 -2.8346 -2.8346 -2.8343 -2.8343 2.1712 2.1712 5.3778 5.3778 5.3870 5.3870 5.5757 5.5757 8.6398 8.6398 9.3618 9.3618 9.4815 9.4815 10.7157 10.7157 10.9317 10.9317 10.9773 10.9773 11.7328 11.7328 11.7612 11.7612 k = 0.5000 0.5000 0.3793 ( 5956 PWs) bands (ev): -18.6287 -18.6287 -18.6278 -18.6278 -18.6278 -18.6278 -8.7851 -8.7851 -7.4577 -7.4577 -7.4573 -7.4573 -5.4327 -5.4327 -5.4237 -5.4237 -4.9224 -4.9224 -4.8960 -4.8960 -4.8908 -4.8908 -4.8411 -4.8411 -3.8560 -3.8560 -3.2607 -3.2607 -3.2480 -3.2480 -2.9599 -2.9599 -2.8290 -2.8290 -2.8274 -2.8274 2.1608 2.1608 5.3711 5.3711 5.3797 5.3797 5.5252 5.5252 8.6861 8.6861 9.4299 9.4299 9.5341 9.5341 10.6884 10.6884 10.8713 10.8713 10.9128 10.9128 11.7411 11.7411 11.7707 11.7707 k = 0.5000 0.5000 0.3966 ( 5956 PWs) bands (ev): -18.6284 -18.6284 -18.6278 -18.6278 -18.6278 -18.6278 -8.7929 -8.7929 -7.4575 -7.4575 -7.4572 -7.4572 -5.4324 -5.4324 -5.4257 -5.4257 -4.9174 -4.9174 -4.8957 -4.8957 -4.8918 -4.8918 -4.8404 -4.8404 -3.8621 -3.8621 -3.2550 -3.2550 -3.2456 -3.2456 -2.9521 -2.9521 -2.8235 -2.8235 -2.8210 -2.8210 2.1515 2.1515 5.3652 5.3652 5.3732 5.3732 5.4804 5.4804 8.7291 8.7291 9.4969 9.4969 9.5840 9.5840 10.6645 10.6645 10.8135 10.8135 10.8480 10.8480 11.7494 11.7494 11.7781 11.7781 k = 0.5000 0.5000 0.4138 ( 5956 PWs) bands (ev): -18.6282 -18.6282 -18.6277 -18.6277 -18.6277 -18.6277 -8.7996 -8.7996 -7.4574 -7.4574 -7.4571 -7.4571 -5.4322 -5.4322 -5.4274 -5.4274 -4.9134 -4.9134 -4.8955 -4.8955 -4.8927 -4.8927 -4.8396 -4.8396 -3.8673 -3.8673 -3.2502 -3.2502 -3.2437 -3.2437 -2.9457 -2.9457 -2.8181 -2.8181 -2.8155 -2.8155 2.1436 2.1436 5.3599 5.3599 5.3676 5.3676 5.4418 5.4418 8.7681 8.7681 9.5615 9.5615 9.6301 9.6301 10.6441 10.6441 10.7597 10.7597 10.7850 10.7850 11.7571 11.7571 11.7827 11.7827 k = 0.5000 0.5000 0.4310 ( 5956 PWs) bands (ev): -18.6280 -18.6280 -18.6277 -18.6277 -18.6277 -18.6277 -8.8052 -8.8052 -7.4572 -7.4572 -7.4571 -7.4571 -5.4320 -5.4320 -5.4289 -5.4289 -4.9103 -4.9103 -4.8952 -4.8952 -4.8934 -4.8934 -4.8387 -4.8387 -3.8715 -3.8715 -3.2462 -3.2462 -3.2421 -3.2421 -2.9407 -2.9407 -2.8131 -2.8131 -2.8110 -2.8110 2.1369 2.1369 5.3555 5.3555 5.3629 5.3629 5.4097 5.4097 8.8018 8.8018 9.6216 9.6216 9.6711 9.6711 10.6268 10.6268 10.7116 10.7116 10.7263 10.7263 11.7639 11.7639 11.7839 11.7839 k = 0.5000 0.5000 0.4483 ( 5956 PWs) bands (ev): -18.6278 -18.6278 -18.6277 -18.6277 -18.6277 -18.6277 -8.8096 -8.8096 -7.4571 -7.4571 -7.4570 -7.4570 -5.4318 -5.4318 -5.4300 -5.4300 -4.9079 -4.9079 -4.8950 -4.8950 -4.8940 -4.8940 -4.8380 -4.8380 -3.8748 -3.8748 -3.2432 -3.2432 -3.2409 -3.2409 -2.9369 -2.9369 -2.8088 -2.8088 -2.8074 -2.8074 2.1317 2.1317 5.3519 5.3519 5.3592 5.3592 5.3846 5.3846 8.8293 8.8293 9.6745 9.6745 9.7056 9.7056 10.6120 10.6120 10.6711 10.6711 10.6755 10.6755 11.7695 11.7695 11.7825 11.7825 k = 0.5000 0.5000 0.4655 ( 5956 PWs) bands (ev): -18.6277 -18.6277 -18.6277 -18.6277 -18.6277 -18.6277 -8.8127 -8.8127 -7.4571 -7.4571 -7.4570 -7.4570 -5.4317 -5.4317 -5.4309 -5.4309 -4.9063 -4.9063 -4.8949 -4.8949 -4.8944 -4.8944 -4.8374 -4.8374 -3.8772 -3.8772 -3.2410 -3.2410 -3.2400 -3.2400 -2.9343 -2.9343 -2.8055 -2.8055 -2.8048 -2.8048 2.1279 2.1279 5.3488 5.3488 5.3566 5.3566 5.3669 5.3669 8.8498 8.8498 9.7168 9.7168 9.7319 9.7319 10.5978 10.5978 10.6382 10.6382 10.6403 10.6403 11.7736 11.7736 11.7800 11.7800 k = 0.5000 0.5000 0.4828 ( 5956 PWs) bands (ev): -18.6277 -18.6277 -18.6276 -18.6276 -18.6276 -18.6276 -8.8146 -8.8146 -7.4570 -7.4570 -7.4570 -7.4570 -5.4316 -5.4316 -5.4314 -5.4314 -4.9053 -4.9053 -4.8948 -4.8948 -4.8947 -4.8947 -4.8370 -4.8370 -3.8786 -3.8786 -3.2397 -3.2397 -3.2395 -3.2395 -2.9328 -2.9328 -2.8034 -2.8034 -2.8032 -2.8032 2.1257 2.1257 5.3460 5.3460 5.3550 5.3550 5.3572 5.3572 8.8624 8.8624 9.7445 9.7445 9.7485 9.7485 10.5835 10.5835 10.6192 10.6192 10.6208 10.6208 11.7762 11.7762 11.7779 11.7779 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -18.6276 -18.6276 -18.6276 -18.6276 -18.6276 -18.6276 -8.8153 -8.8153 -7.4570 -7.4570 -7.4570 -7.4570 -5.4316 -5.4316 -5.4316 -5.4316 -4.9050 -4.9050 -4.8947 -4.8947 -4.8947 -4.8947 -4.8369 -4.8369 -3.8791 -3.8791 -3.2393 -3.2393 -3.2393 -3.2393 -2.9323 -2.9323 -2.8027 -2.8027 -2.8027 -2.8027 2.1249 2.1249 5.3446 5.3446 5.3544 5.3544 5.3544 5.3544 8.8666 8.8666 9.7542 9.7542 9.7542 9.7542 10.5770 10.5770 10.6142 10.6142 10.6142 10.6142 11.7771 11.7771 11.7771 11.7771 Writing output data file Ba3PbO.save init_run : 0.36s CPU 0.51s WALL ( 1 calls) electrons : 153.56s CPU 155.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 153.55s CPU 155.59s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 225 calls) cegterg : 143.09s CPU 144.70s WALL ( 283 calls) Called by sum_band: Called by *egterg: h_psi : 80.17s CPU 81.44s WALL ( 4801 calls) s_psi : 5.24s CPU 5.31s WALL ( 4801 calls) g_psi : 0.29s CPU 0.26s WALL ( 4293 calls) cdiaghg : 46.54s CPU 47.06s WALL ( 4518 calls) cegterg:over : 6.82s CPU 6.90s WALL ( 4293 calls) cegterg:upda : 6.68s CPU 6.65s WALL ( 4293 calls) cegterg:last : 3.28s CPU 3.28s WALL ( 812 calls) cdiaghg:chol : 2.91s CPU 2.72s WALL ( 4518 calls) cdiaghg:inve : 1.71s CPU 1.89s WALL ( 4518 calls) cdiaghg:para : 3.17s CPU 3.27s WALL ( 9036 calls) Called by h_psi: h_psi:vloc : 69.12s CPU 70.11s WALL ( 4801 calls) h_psi:vnl : 10.79s CPU 11.04s WALL ( 4801 calls) add_vuspsi : 5.72s CPU 5.80s WALL ( 4801 calls) General routines calbec : 5.06s CPU 5.23s WALL ( 4801 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.88s CPU 65.85s WALL ( 606472 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 450 calls) Parallel routines fft_scatter : 21.84s CPU 22.10s WALL ( 606495 calls) PWSCF : 2m49.90s CPU 3m 0.07s WALL This run was terminated on: 13:57: 6 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=