Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:34:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CrPbO3.save/ 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 41 40 11 1185 1154 181 Max 42 41 12 1188 1169 186 Sum 1481 1457 421 42691 41851 6619 bravais-lattice index = 14 lattice parameter (alat) = 7.5627 a.u. unit-cell volume = 432.5415 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.562683 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 Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 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 Cr 14.00 51.99610 Cr( 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= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032680 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032680 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032680 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032680 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032680 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032680 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032680 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032680 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032680 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032680 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032680 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032680 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032680 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032680 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032680 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032680 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032680 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032680 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032680 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032680 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032680 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032680 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032680 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032680 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032680 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032680 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032680 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032680 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032680 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032680 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032680 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032680 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032680 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032680 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032680 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032680 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032680 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032680 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032680 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032680 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032680 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032680 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032680 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032680 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032680 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032680 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032680 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032680 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032680 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032680 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032680 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032680 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032680 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032680 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032680 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032680 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032680 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032680 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032680 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032680 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032680 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032680 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032680 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032680 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032680 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032680 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032680 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032680 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032680 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032680 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032680 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032680 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032680 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032680 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032680 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032680 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032680 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032680 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032680 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032680 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032680 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032680 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032680 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032680 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032680 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032680 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032680 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032680 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032680 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032680 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032680 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032680 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032680 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032680 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032680 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 141) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0032680 k( 142) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0032680 k( 143) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0032680 k( 144) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0032680 k( 145) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0032680 k( 146) = ( 0.0441177 0.0441176 0.0441176), wk = 0.0032680 k( 147) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0032680 k( 148) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0032680 k( 149) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0032680 k( 150) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0032680 k( 151) = ( 0.0808824 0.0808823 0.0808823), wk = 0.0032680 k( 152) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0032680 k( 153) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0032680 k( 154) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0032680 k( 155) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0032680 k( 156) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0032680 k( 157) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032680 k( 158) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0032680 k( 159) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0032680 k( 160) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0032680 k( 161) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0032680 k( 162) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0032680 k( 163) = ( 0.1691177 0.1691176 0.1691176), wk = 0.0032680 k( 164) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0032680 k( 165) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0032680 k( 166) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0032680 k( 167) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0032680 k( 168) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0032680 k( 169) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0032680 k( 170) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0032680 k( 171) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0032680 k( 172) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0032680 k( 173) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0032680 k( 174) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 175) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0032680 k( 176) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0032680 k( 177) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0032680 k( 178) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0032680 k( 179) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0032680 k( 180) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0032680 k( 181) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0032680 k( 182) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0032680 k( 183) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0032680 k( 184) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0032680 k( 185) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0032680 k( 186) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0032680 k( 187) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0032680 k( 188) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0032680 k( 189) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0032680 k( 190) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0032680 k( 191) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032680 k( 192) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0032680 k( 193) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0032680 k( 194) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0032680 k( 195) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0032680 k( 196) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0032680 k( 197) = ( 0.4191177 0.4191176 0.4191176), wk = 0.0032680 k( 198) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0032680 k( 199) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0032680 k( 200) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0032680 k( 201) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0032680 k( 202) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0032680 k( 203) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0032680 k( 204) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0032680 k( 205) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0032680 k( 206) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0032680 k( 207) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0032680 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 210) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032680 k( 211) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032680 k( 212) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032680 k( 213) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032680 k( 214) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032680 k( 215) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032680 k( 216) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032680 k( 217) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032680 k( 218) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032680 k( 219) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032680 k( 220) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032680 k( 221) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032680 k( 222) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032680 k( 223) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032680 k( 224) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032680 k( 225) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032680 k( 226) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032680 k( 227) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032680 k( 228) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032680 k( 229) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032680 k( 230) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032680 k( 231) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032680 k( 232) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032680 k( 233) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032680 k( 234) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032680 k( 235) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032680 k( 236) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032680 k( 237) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032680 k( 238) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032680 k( 239) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032680 k( 240) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032680 k( 241) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032680 k( 242) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032680 k( 243) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032680 k( 244) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032680 k( 245) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032680 k( 246) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032680 k( 247) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032680 k( 248) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032680 k( 249) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032680 k( 250) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032680 k( 251) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032680 k( 252) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032680 k( 253) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032680 k( 254) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032680 k( 255) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032680 k( 256) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032680 k( 257) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032680 k( 258) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032680 k( 259) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032680 k( 260) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032680 k( 261) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032680 k( 262) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032680 k( 263) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032680 k( 264) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032680 k( 265) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 266) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 267) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032680 k( 268) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032680 k( 269) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032680 k( 270) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032680 k( 271) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032680 k( 272) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032680 k( 273) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032680 k( 274) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032680 k( 275) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032680 k( 276) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032680 k( 277) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032680 k( 278) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032680 k( 279) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032680 k( 280) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032680 k( 281) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032680 k( 282) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032680 k( 283) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032680 k( 284) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032680 k( 285) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032680 k( 286) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032680 k( 287) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032680 k( 288) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032680 k( 289) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032680 k( 290) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032680 k( 291) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032680 k( 292) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032680 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032680 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032680 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032680 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032680 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032680 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032680 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032680 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032680 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032680 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032680 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032680 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032680 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032680 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032680 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032680 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032680 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032680 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032680 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032680 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032680 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032680 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032680 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032680 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032680 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032680 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032680 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032680 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032680 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032680 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032680 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032680 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032680 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032680 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032680 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032680 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032680 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032680 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032680 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032680 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032680 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032680 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032680 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032680 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032680 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032680 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032680 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032680 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032680 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032680 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032680 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032680 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032680 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032680 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032680 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032680 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032680 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032680 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032680 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032680 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032680 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032680 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032680 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032680 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032680 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032680 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032680 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032680 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032680 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032680 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032680 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032680 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032680 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032680 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032680 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032680 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032680 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032680 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032680 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032680 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032680 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032680 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032680 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032680 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032680 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032680 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032680 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032680 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032680 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032680 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032680 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032680 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032680 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032680 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032680 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032680 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 141) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0032680 k( 142) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0032680 k( 143) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0032680 k( 144) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0032680 k( 145) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0032680 k( 146) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0032680 k( 147) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0032680 k( 148) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0032680 k( 149) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0032680 k( 150) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0032680 k( 151) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0032680 k( 152) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0032680 k( 153) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0032680 k( 154) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0032680 k( 155) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0032680 k( 156) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0032680 k( 157) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032680 k( 158) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0032680 k( 159) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0032680 k( 160) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0032680 k( 161) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0032680 k( 162) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0032680 k( 163) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0032680 k( 164) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0032680 k( 165) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0032680 k( 166) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0032680 k( 167) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0032680 k( 168) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0032680 k( 169) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0032680 k( 170) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0032680 k( 171) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0032680 k( 172) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0032680 k( 173) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0032680 k( 174) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 175) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0032680 k( 176) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0032680 k( 177) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0032680 k( 178) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0032680 k( 179) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0032680 k( 180) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0032680 k( 181) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0032680 k( 182) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0032680 k( 183) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0032680 k( 184) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0032680 k( 185) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0032680 k( 186) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0032680 k( 187) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0032680 k( 188) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0032680 k( 189) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0032680 k( 190) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0032680 k( 191) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032680 k( 192) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0032680 k( 193) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0032680 k( 194) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0032680 k( 195) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0032680 k( 196) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0032680 k( 197) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0032680 k( 198) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0032680 k( 199) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0032680 k( 200) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0032680 k( 201) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0032680 k( 202) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0032680 k( 203) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0032680 k( 204) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0032680 k( 205) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0032680 k( 206) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0032680 k( 207) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0032680 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 210) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032680 k( 211) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032680 k( 212) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032680 k( 213) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032680 k( 214) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032680 k( 215) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032680 k( 216) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032680 k( 217) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032680 k( 218) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032680 k( 219) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032680 k( 220) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032680 k( 221) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032680 k( 222) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032680 k( 223) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032680 k( 224) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032680 k( 225) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032680 k( 226) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032680 k( 227) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032680 k( 228) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032680 k( 229) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032680 k( 230) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032680 k( 231) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032680 k( 232) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032680 k( 233) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032680 k( 234) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032680 k( 235) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032680 k( 236) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032680 k( 237) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032680 k( 238) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032680 k( 239) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032680 k( 240) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032680 k( 241) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032680 k( 242) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032680 k( 243) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032680 k( 244) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032680 k( 245) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032680 k( 246) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032680 k( 247) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032680 k( 248) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032680 k( 249) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032680 k( 250) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032680 k( 251) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032680 k( 252) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032680 k( 253) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032680 k( 254) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032680 k( 255) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032680 k( 256) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032680 k( 257) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032680 k( 258) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032680 k( 259) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032680 k( 260) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032680 k( 261) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032680 k( 262) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032680 k( 263) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032680 k( 264) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032680 k( 265) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 266) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 267) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032680 k( 268) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032680 k( 269) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032680 k( 270) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032680 k( 271) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032680 k( 272) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032680 k( 273) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032680 k( 274) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032680 k( 275) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032680 k( 276) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032680 k( 277) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032680 k( 278) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032680 k( 279) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032680 k( 280) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032680 k( 281) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032680 k( 282) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032680 k( 283) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032680 k( 284) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032680 k( 285) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032680 k( 286) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032680 k( 287) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032680 k( 288) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032680 k( 289) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032680 k( 290) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032680 k( 291) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032680 k( 292) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 Dense grid: 42691 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 41851 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 300, 56) NL pseudopotentials 0.25 Mb ( 150, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1188) G-vector shells 0.00 Mb ( 298) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 300, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.19 Mb ( 110, 2, 56) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CrPbO3.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 10.9 secs Computing kpt #: 20 total cpu time spent up to now is 11.4 secs Computing kpt #: 21 total cpu time spent up to now is 11.8 secs Computing kpt #: 22 total cpu time spent up to now is 12.3 secs Computing kpt #: 23 total cpu time spent up to now is 12.7 secs Computing kpt #: 24 total cpu time spent up to now is 13.2 secs Computing kpt #: 25 total cpu time spent up to now is 13.6 secs Computing kpt #: 26 total cpu time spent up to now is 14.1 secs Computing kpt #: 27 total cpu time spent up to now is 14.5 secs Computing kpt #: 28 total cpu time spent up to now is 15.0 secs Computing kpt #: 29 total cpu time spent up to now is 15.4 secs Computing kpt #: 30 total cpu time spent up to now is 15.9 secs Computing kpt #: 31 total cpu time spent up to now is 16.3 secs Computing kpt #: 32 total cpu time spent up to now is 16.8 secs Computing kpt #: 33 total cpu time spent up to now is 17.2 secs Computing kpt #: 34 total cpu time spent up to now is 17.6 secs Computing kpt #: 35 total cpu time spent up to now is 18.0 secs Computing kpt #: 36 total cpu time spent up to now is 18.5 secs Computing kpt #: 37 total cpu time spent up to now is 18.9 secs Computing kpt #: 38 total cpu time spent up to now is 19.3 secs Computing kpt #: 39 total cpu time spent up to now is 19.7 secs Computing kpt #: 40 total cpu time spent up to now is 20.2 secs Computing kpt #: 41 total cpu time spent up to now is 20.6 secs Computing kpt #: 42 total cpu time spent up to now is 21.0 secs Computing kpt #: 43 total cpu time spent up to now is 21.5 secs Computing kpt #: 44 total cpu time spent up to now is 21.9 secs Computing kpt #: 45 total cpu time spent up to now is 22.3 secs Computing kpt #: 46 total cpu time spent up to now is 22.7 secs Computing kpt #: 47 total cpu time spent up to now is 23.2 secs Computing kpt #: 48 total cpu time spent up to now is 23.6 secs Computing kpt #: 49 total cpu time spent up to now is 24.1 secs Computing kpt #: 50 total cpu time spent up to now is 24.5 secs Computing kpt #: 51 total cpu time spent up to now is 24.9 secs Computing kpt #: 52 total cpu time spent up to now is 25.4 secs Computing kpt #: 53 total cpu time spent up to now is 25.8 secs Computing kpt #: 54 total cpu time spent up to now is 26.3 secs Computing kpt #: 55 total cpu time spent up to now is 26.7 secs Computing kpt #: 56 total cpu time spent up to now is 27.2 secs Computing kpt #: 57 total cpu time spent up to now is 27.6 secs Computing kpt #: 58 total cpu time spent up to now is 28.1 secs Computing kpt #: 59 total cpu time spent up to now is 28.5 secs Computing kpt #: 60 total cpu time spent up to now is 29.0 secs Computing kpt #: 61 total cpu time spent up to now is 29.4 secs Computing kpt #: 62 total cpu time spent up to now is 29.9 secs Computing kpt #: 63 total cpu time spent up to now is 30.4 secs Computing kpt #: 64 total cpu time spent up to now is 30.8 secs Computing kpt #: 65 total cpu time spent up to now is 31.3 secs Computing kpt #: 66 total cpu time spent up to now is 31.8 secs Computing kpt #: 67 total cpu time spent up to now is 32.2 secs Computing kpt #: 68 total cpu time spent up to now is 32.7 secs Computing kpt #: 69 total cpu time spent up to now is 33.2 secs Computing kpt #: 70 total cpu time spent up to now is 33.6 secs Computing kpt #: 71 total cpu time spent up to now is 34.1 secs Computing kpt #: 72 total cpu time spent up to now is 34.6 secs Computing kpt #: 73 total cpu time spent up to now is 35.1 secs Computing kpt #: 74 total cpu time spent up to now is 35.6 secs Computing kpt #: 75 total cpu time spent up to now is 36.1 secs Computing kpt #: 76 total cpu time spent up to now is 36.7 secs Computing kpt #: 77 total cpu time spent up to now is 37.2 secs Computing kpt #: 78 total cpu time spent up to now is 37.8 secs Computing kpt #: 79 total cpu time spent up to now is 38.4 secs Computing kpt #: 80 total cpu time spent up to now is 38.9 secs Computing kpt #: 81 total cpu time spent up to now is 39.5 secs Computing kpt #: 82 total cpu time spent up to now is 40.1 secs Computing kpt #: 83 total cpu time spent up to now is 40.7 secs Computing kpt #: 84 total cpu time spent up to now is 41.3 secs Computing kpt #: 85 total cpu time spent up to now is 42.0 secs Computing kpt #: 86 total cpu time spent up to now is 42.5 secs Computing kpt #: 87 total cpu time spent up to now is 43.1 secs Computing kpt #: 88 total cpu time spent up to now is 43.6 secs Computing kpt #: 89 total cpu time spent up to now is 44.2 secs Computing kpt #: 90 total cpu time spent up to now is 44.8 secs Computing kpt #: 91 total cpu time spent up to now is 45.3 secs Computing kpt #: 92 total cpu time spent up to now is 45.8 secs Computing kpt #: 93 total cpu time spent up to now is 46.3 secs Computing kpt #: 94 total cpu time spent up to now is 46.8 secs Computing kpt #: 95 total cpu time spent up to now is 47.3 secs Computing kpt #: 96 total cpu time spent up to now is 47.8 secs Computing kpt #: 97 total cpu time spent up to now is 48.3 secs Computing kpt #: 98 total cpu time spent up to now is 48.7 secs Computing kpt #: 99 total cpu time spent up to now is 49.2 secs Computing kpt #: 100 total cpu time spent up to now is 49.6 secs Computing kpt #: 101 total cpu time spent up to now is 50.1 secs Computing kpt #: 102 total cpu time spent up to now is 50.6 secs Computing kpt #: 103 total cpu time spent up to now is 51.0 secs Computing kpt #: 104 total cpu time spent up to now is 51.5 secs Computing kpt #: 105 total cpu time spent up to now is 51.9 secs Computing kpt #: 106 total cpu time spent up to now is 52.4 secs Computing kpt #: 107 total cpu time spent up to now is 52.8 secs Computing kpt #: 108 total cpu time spent up to now is 53.3 secs Computing kpt #: 109 total cpu time spent up to now is 53.7 secs Computing kpt #: 110 total cpu time spent up to now is 54.1 secs Computing kpt #: 111 total cpu time spent up to now is 54.6 secs Computing kpt #: 112 total cpu time spent up to now is 55.0 secs Computing kpt #: 113 total cpu time spent up to now is 55.4 secs Computing kpt #: 114 total cpu time spent up to now is 55.8 secs Computing kpt #: 115 total cpu time spent up to now is 56.2 secs Computing kpt #: 116 total cpu time spent up to now is 56.7 secs Computing kpt #: 117 total cpu time spent up to now is 57.1 secs Computing kpt #: 118 total cpu time spent up to now is 57.5 secs Computing kpt #: 119 total cpu time spent up to now is 57.9 secs Computing kpt #: 120 total cpu time spent up to now is 58.3 secs Computing kpt #: 121 total cpu time spent up to now is 58.7 secs Computing kpt #: 122 total cpu time spent up to now is 59.1 secs Computing kpt #: 123 total cpu time spent up to now is 59.5 secs Computing kpt #: 124 total cpu time spent up to now is 59.9 secs Computing kpt #: 125 total cpu time spent up to now is 60.3 secs Computing kpt #: 126 total cpu time spent up to now is 60.7 secs Computing kpt #: 127 total cpu time spent up to now is 61.1 secs Computing kpt #: 128 total cpu time spent up to now is 61.5 secs Computing kpt #: 129 total cpu time spent up to now is 61.9 secs Computing kpt #: 130 total cpu time spent up to now is 62.3 secs Computing kpt #: 131 total cpu time spent up to now is 62.8 secs Computing kpt #: 132 total cpu time spent up to now is 63.2 secs Computing kpt #: 133 total cpu time spent up to now is 63.5 secs Computing kpt #: 134 total cpu time spent up to now is 63.9 secs Computing kpt #: 135 total cpu time spent up to now is 64.3 secs Computing kpt #: 136 total cpu time spent up to now is 64.7 secs Computing kpt #: 137 total cpu time spent up to now is 65.0 secs Computing kpt #: 138 total cpu time spent up to now is 65.4 secs Computing kpt #: 139 total cpu time spent up to now is 65.8 secs Computing kpt #: 140 total cpu time spent up to now is 66.2 secs Computing kpt #: 141 total cpu time spent up to now is 66.5 secs Computing kpt #: 142 total cpu time spent up to now is 66.9 secs Computing kpt #: 143 total cpu time spent up to now is 67.3 secs Computing kpt #: 144 total cpu time spent up to now is 67.7 secs Computing kpt #: 145 total cpu time spent up to now is 68.0 secs Computing kpt #: 146 total cpu time spent up to now is 68.4 secs Computing kpt #: 147 total cpu time spent up to now is 68.8 secs Computing kpt #: 148 total cpu time spent up to now is 69.2 secs Computing kpt #: 149 total cpu time spent up to now is 69.6 secs Computing kpt #: 150 total cpu time spent up to now is 69.9 secs Computing kpt #: 151 total cpu time spent up to now is 70.3 secs Computing kpt #: 152 total cpu time spent up to now is 70.7 secs Computing kpt #: 153 total cpu time spent up to now is 71.1 secs Computing kpt #: 154 total cpu time spent up to now is 71.5 secs Computing kpt #: 155 total cpu time spent up to now is 71.9 secs Computing kpt #: 156 total cpu time spent up to now is 72.2 secs Computing kpt #: 157 total cpu time spent up to now is 72.6 secs Computing kpt #: 158 total cpu time spent up to now is 73.0 secs Computing kpt #: 159 total cpu time spent up to now is 73.5 secs Computing kpt #: 160 total cpu time spent up to now is 73.9 secs Computing kpt #: 161 total cpu time spent up to now is 74.3 secs Computing kpt #: 162 total cpu time spent up to now is 74.7 secs Computing kpt #: 163 total cpu time spent up to now is 75.2 secs Computing kpt #: 164 total cpu time spent up to now is 75.6 secs Computing kpt #: 165 total cpu time spent up to now is 76.0 secs Computing kpt #: 166 total cpu time spent up to now is 76.5 secs Computing kpt #: 167 total cpu time spent up to now is 76.9 secs Computing kpt #: 168 total cpu time spent up to now is 77.4 secs Computing kpt #: 169 total cpu time spent up to now is 77.8 secs Computing kpt #: 170 total cpu time spent up to now is 78.3 secs Computing kpt #: 171 total cpu time spent up to now is 78.7 secs Computing kpt #: 172 total cpu time spent up to now is 79.2 secs Computing kpt #: 173 total cpu time spent up to now is 79.6 secs Computing kpt #: 174 total cpu time spent up to now is 80.1 secs Computing kpt #: 175 total cpu time spent up to now is 80.5 secs Computing kpt #: 176 total cpu time spent up to now is 81.0 secs Computing kpt #: 177 total cpu time spent up to now is 81.4 secs Computing kpt #: 178 total cpu time spent up to now is 81.9 secs Computing kpt #: 179 total cpu time spent up to now is 82.3 secs Computing kpt #: 180 total cpu time spent up to now is 82.8 secs Computing kpt #: 181 total cpu time spent up to now is 83.2 secs Computing kpt #: 182 total cpu time spent up to now is 83.7 secs Computing kpt #: 183 total cpu time spent up to now is 84.2 secs Computing kpt #: 184 total cpu time spent up to now is 84.6 secs Computing kpt #: 185 total cpu time spent up to now is 85.1 secs Computing kpt #: 186 total cpu time spent up to now is 85.5 secs Computing kpt #: 187 total cpu time spent up to now is 86.0 secs Computing kpt #: 188 total cpu time spent up to now is 86.4 secs Computing kpt #: 189 total cpu time spent up to now is 86.9 secs Computing kpt #: 190 total cpu time spent up to now is 87.4 secs Computing kpt #: 191 total cpu time spent up to now is 87.8 secs Computing kpt #: 192 total cpu time spent up to now is 88.3 secs Computing kpt #: 193 total cpu time spent up to now is 88.7 secs Computing kpt #: 194 total cpu time spent up to now is 89.2 secs Computing kpt #: 195 total cpu time spent up to now is 89.6 secs Computing kpt #: 196 total cpu time spent up to now is 90.1 secs Computing kpt #: 197 total cpu time spent up to now is 90.5 secs Computing kpt #: 198 total cpu time spent up to now is 91.0 secs Computing kpt #: 199 total cpu time spent up to now is 91.4 secs Computing kpt #: 200 total cpu time spent up to now is 91.8 secs Computing kpt #: 201 total cpu time spent up to now is 92.3 secs Computing kpt #: 202 total cpu time spent up to now is 92.7 secs Computing kpt #: 203 total cpu time spent up to now is 93.1 secs Computing kpt #: 204 total cpu time spent up to now is 93.5 secs Computing kpt #: 205 total cpu time spent up to now is 93.8 secs Computing kpt #: 206 total cpu time spent up to now is 94.3 secs Computing kpt #: 207 total cpu time spent up to now is 94.7 secs Computing kpt #: 208 total cpu time spent up to now is 95.0 secs Computing kpt #: 209 total cpu time spent up to now is 95.4 secs Computing kpt #: 210 total cpu time spent up to now is 95.8 secs Computing kpt #: 211 total cpu time spent up to now is 96.2 secs Computing kpt #: 212 total cpu time spent up to now is 96.6 secs Computing kpt #: 213 total cpu time spent up to now is 97.0 secs Computing kpt #: 214 total cpu time spent up to now is 97.4 secs Computing kpt #: 215 total cpu time spent up to now is 97.8 secs Computing kpt #: 216 total cpu time spent up to now is 98.2 secs Computing kpt #: 217 total cpu time spent up to now is 98.6 secs Computing kpt #: 218 total cpu time spent up to now is 99.0 secs Computing kpt #: 219 total cpu time spent up to now is 99.5 secs Computing kpt #: 220 total cpu time spent up to now is 99.9 secs Computing kpt #: 221 total cpu time spent up to now is 100.4 secs Computing kpt #: 222 total cpu time spent up to now is 100.8 secs Computing kpt #: 223 total cpu time spent up to now is 101.2 secs Computing kpt #: 224 total cpu time spent up to now is 101.6 secs Computing kpt #: 225 total cpu time spent up to now is 102.1 secs Computing kpt #: 226 total cpu time spent up to now is 102.5 secs Computing kpt #: 227 total cpu time spent up to now is 103.0 secs Computing kpt #: 228 total cpu time spent up to now is 103.4 secs Computing kpt #: 229 total cpu time spent up to now is 103.9 secs Computing kpt #: 230 total cpu time spent up to now is 104.3 secs Computing kpt #: 231 total cpu time spent up to now is 104.8 secs Computing kpt #: 232 total cpu time spent up to now is 105.2 secs Computing kpt #: 233 total cpu time spent up to now is 105.7 secs Computing kpt #: 234 total cpu time spent up to now is 106.1 secs Computing kpt #: 235 total cpu time spent up to now is 106.6 secs Computing kpt #: 236 total cpu time spent up to now is 107.0 secs Computing kpt #: 237 total cpu time spent up to now is 107.5 secs Computing kpt #: 238 total cpu time spent up to now is 107.9 secs Computing kpt #: 239 total cpu time spent up to now is 108.4 secs Computing kpt #: 240 total cpu time spent up to now is 108.8 secs Computing kpt #: 241 total cpu time spent up to now is 109.3 secs Computing kpt #: 242 total cpu time spent up to now is 109.7 secs Computing kpt #: 243 total cpu time spent up to now is 110.1 secs Computing kpt #: 244 total cpu time spent up to now is 110.6 secs Computing kpt #: 245 total cpu time spent up to now is 111.0 secs Computing kpt #: 246 total cpu time spent up to now is 111.5 secs Computing kpt #: 247 total cpu time spent up to now is 111.9 secs Computing kpt #: 248 total cpu time spent up to now is 112.4 secs Computing kpt #: 249 total cpu time spent up to now is 112.8 secs Computing kpt #: 250 total cpu time spent up to now is 113.2 secs Computing kpt #: 251 total cpu time spent up to now is 113.7 secs Computing kpt #: 252 total cpu time spent up to now is 114.1 secs Computing kpt #: 253 total cpu time spent up to now is 114.5 secs Computing kpt #: 254 total cpu time spent up to now is 115.0 secs Computing kpt #: 255 total cpu time spent up to now is 115.4 secs Computing kpt #: 256 total cpu time spent up to now is 115.9 secs Computing kpt #: 257 total cpu time spent up to now is 116.3 secs Computing kpt #: 258 total cpu time spent up to now is 116.7 secs Computing kpt #: 259 total cpu time spent up to now is 117.1 secs Computing kpt #: 260 total cpu time spent up to now is 117.6 secs Computing kpt #: 261 total cpu time spent up to now is 118.0 secs Computing kpt #: 262 total cpu time spent up to now is 118.4 secs Computing kpt #: 263 total cpu time spent up to now is 118.8 secs Computing kpt #: 264 total cpu time spent up to now is 119.2 secs Computing kpt #: 265 total cpu time spent up to now is 119.7 secs Computing kpt #: 266 total cpu time spent up to now is 120.2 secs Computing kpt #: 267 total cpu time spent up to now is 120.9 secs Computing kpt #: 268 total cpu time spent up to now is 121.5 secs Computing kpt #: 269 total cpu time spent up to now is 122.0 secs Computing kpt #: 270 total cpu time spent up to now is 122.7 secs Computing kpt #: 271 total cpu time spent up to now is 123.3 secs Computing kpt #: 272 total cpu time spent up to now is 123.9 secs Computing kpt #: 273 total cpu time spent up to now is 124.4 secs Computing kpt #: 274 total cpu time spent up to now is 125.0 secs Computing kpt #: 275 total cpu time spent up to now is 125.5 secs Computing kpt #: 276 total cpu time spent up to now is 126.1 secs Computing kpt #: 277 total cpu time spent up to now is 126.5 secs Computing kpt #: 278 total cpu time spent up to now is 127.1 secs Computing kpt #: 279 total cpu time spent up to now is 127.6 secs Computing kpt #: 280 total cpu time spent up to now is 128.0 secs Computing kpt #: 281 total cpu time spent up to now is 128.6 secs Computing kpt #: 282 total cpu time spent up to now is 129.0 secs Computing kpt #: 283 total cpu time spent up to now is 129.5 secs Computing kpt #: 284 total cpu time spent up to now is 129.9 secs Computing kpt #: 285 total cpu time spent up to now is 130.3 secs Computing kpt #: 286 total cpu time spent up to now is 130.8 secs Computing kpt #: 287 total cpu time spent up to now is 131.2 secs Computing kpt #: 288 total cpu time spent up to now is 131.6 secs Computing kpt #: 289 total cpu time spent up to now is 132.1 secs Computing kpt #: 290 total cpu time spent up to now is 132.6 secs Computing kpt #: 291 total cpu time spent up to now is 133.1 secs Computing kpt #: 292 total cpu time spent up to now is 133.7 secs Computing kpt #: 293 total cpu time spent up to now is 134.1 secs Computing kpt #: 294 total cpu time spent up to now is 134.5 secs Computing kpt #: 295 total cpu time spent up to now is 134.9 secs Computing kpt #: 296 total cpu time spent up to now is 135.3 secs Computing kpt #: 297 total cpu time spent up to now is 135.7 secs Computing kpt #: 298 total cpu time spent up to now is 136.2 secs Computing kpt #: 299 total cpu time spent up to now is 136.6 secs Computing kpt #: 300 total cpu time spent up to now is 137.0 secs Computing kpt #: 301 total cpu time spent up to now is 137.4 secs Computing kpt #: 302 total cpu time spent up to now is 137.8 secs Computing kpt #: 303 total cpu time spent up to now is 138.2 secs Computing kpt #: 304 total cpu time spent up to now is 138.6 secs Computing kpt #: 305 total cpu time spent up to now is 139.0 secs Computing kpt #: 306 total cpu time spent up to now is 139.4 secs ethr = 2.17E-08, avg # of iterations = 15.5 total cpu time spent up to now is 139.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -61.6047 -61.6047 -33.6095 -33.6095 -32.6239 -32.6239 -32.6239 -32.6239 -7.9927 -7.9927 -7.2362 -7.2362 -7.2362 -7.2362 -6.5731 -6.5731 -6.5731 -6.5731 -4.5110 -4.5110 -4.4894 -4.4894 -4.4894 -4.4894 4.0600 4.0600 5.7451 5.7451 5.9297 5.9297 5.9297 5.9297 8.5199 8.5199 8.5199 8.5199 8.5365 8.5365 8.6794 8.6794 8.8225 8.8225 8.8225 8.8225 9.9782 9.9782 9.9782 9.9782 10.0335 10.0335 11.4143 11.4143 11.4143 11.4143 15.3441 15.3441 k = 0.0000 0.0125-0.0000 ( 5205 PWs) bands (ev): -61.6062 -61.6062 -33.6098 -33.6098 -32.6242 -32.6242 -32.6241 -32.6241 -7.9921 -7.9921 -7.2362 -7.2362 -7.2361 -7.2361 -6.5732 -6.5732 -6.5732 -6.5732 -4.5110 -4.5110 -4.4896 -4.4896 -4.4894 -4.4894 4.0567 4.0567 5.7465 5.7465 5.9303 5.9303 5.9314 5.9314 8.5178 8.5178 8.5189 8.5189 8.5350 8.5350 8.6771 8.6771 8.8192 8.8192 8.8208 8.8208 9.9764 9.9764 9.9773 9.9773 10.0322 10.0322 11.4131 11.4131 11.4168 11.4168 15.3406 15.3406 k = 0.0000 0.0250-0.0000 ( 5217 PWs) bands (ev): -61.6071 -61.6071 -33.6099 -33.6099 -32.6243 -32.6243 -32.6243 -32.6243 -7.9902 -7.9902 -7.2360 -7.2360 -7.2356 -7.2356 -6.5736 -6.5736 -6.5734 -6.5734 -4.5111 -4.5111 -4.4899 -4.4899 -4.4894 -4.4894 4.0468 4.0468 5.7505 5.7505 5.9323 5.9323 5.9364 5.9364 8.5116 8.5116 8.5155 8.5155 8.5312 8.5312 8.6704 8.6704 8.8098 8.8098 8.8162 8.8162 9.9769 9.9769 9.9875 9.9875 10.0387 10.0387 11.4107 11.4107 11.4330 11.4330 15.3299 15.3299 k = 0.0000 0.0375-0.0000 ( 5217 PWs) bands (ev): -61.6071 -61.6071 -33.6099 -33.6099 -32.6244 -32.6244 -32.6242 -32.6242 -7.9871 -7.9871 -7.2358 -7.2358 -7.2348 -7.2348 -6.5741 -6.5741 -6.5737 -6.5737 -4.5114 -4.5114 -4.4906 -4.4906 -4.4893 -4.4893 4.0306 4.0306 5.7571 5.7571 5.9355 5.9355 5.9446 5.9446 8.5006 8.5006 8.5078 8.5078 8.5264 8.5264 8.6599 8.6599 8.7953 8.7953 8.8093 8.8093 9.9805 9.9805 10.0068 10.0068 10.0545 10.0545 11.4107 11.4107 11.4611 11.4611 15.3121 15.3121 k = 0.0000 0.0500-0.0000 ( 5209 PWs) bands (ev): -61.6065 -61.6065 -33.6099 -33.6099 -32.6243 -32.6243 -32.6242 -32.6242 -7.9827 -7.9827 -7.2354 -7.2354 -7.2338 -7.2338 -6.5749 -6.5749 -6.5743 -6.5743 -4.5117 -4.5117 -4.4915 -4.4915 -4.4893 -4.4893 4.0087 4.0087 5.7656 5.7656 5.9400 5.9400 5.9557 5.9557 8.4842 8.4842 8.4942 8.4942 8.5222 8.5222 8.6461 8.6461 8.7776 8.7776 8.8011 8.8011 9.9839 9.9839 10.0350 10.0350 10.0797 10.0797 11.4108 11.4108 11.5016 11.5016 15.2873 15.2873 k = 0.0000 0.0625-0.0000 ( 5221 PWs) bands (ev): -61.6074 -61.6074 -33.6100 -33.6100 -32.6246 -32.6246 -32.6242 -32.6242 -7.9772 -7.9772 -7.2350 -7.2350 -7.2324 -7.2324 -6.5760 -6.5760 -6.5749 -6.5749 -4.5121 -4.5121 -4.4927 -4.4927 -4.4892 -4.4892 3.9814 3.9814 5.7759 5.7759 5.9458 5.9458 5.9692 5.9692 8.4619 8.4619 8.4746 8.4746 8.5181 8.5181 8.6293 8.6293 8.7587 8.7587 8.7927 8.7927 9.9858 9.9858 10.0649 10.0649 10.1080 10.1080 11.4105 11.4105 11.5430 11.5430 15.2555 15.2555 k = 0.0000 0.0750-0.0000 ( 5229 PWs) bands (ev): -61.6080 -61.6080 -33.6101 -33.6101 -32.6248 -32.6248 -32.6243 -32.6243 -7.9704 -7.9704 -7.2344 -7.2344 -7.2307 -7.2307 -6.5773 -6.5773 -6.5757 -6.5757 -4.5126 -4.5126 -4.4941 -4.4941 -4.4891 -4.4891 3.9496 3.9496 5.7874 5.7874 5.9528 5.9528 5.9843 5.9843 8.4336 8.4336 8.4492 8.4492 8.5139 8.5139 8.6093 8.6093 8.7413 8.7413 8.7849 8.7849 9.9869 9.9869 10.0999 10.0999 10.1419 10.1419 11.4097 11.4097 11.5972 11.5972 15.2166 15.2166 k = 0.0000 0.0875-0.0000 ( 5237 PWs) bands (ev): -61.6086 -61.6086 -33.6103 -33.6103 -32.6251 -32.6251 -32.6244 -32.6244 -7.9625 -7.9625 -7.2338 -7.2338 -7.2287 -7.2287 -6.5788 -6.5788 -6.5766 -6.5766 -4.5132 -4.5132 -4.4957 -4.4957 -4.4890 -4.4890 3.9139 3.9139 5.8000 5.8000 5.9611 5.9611 6.0004 6.0004 8.3997 8.3997 8.4186 8.4186 8.5092 8.5092 8.5862 8.5862 8.7274 8.7274 8.7785 8.7785 9.9875 9.9875 10.1392 10.1392 10.1807 10.1807 11.4081 11.4081 11.6588 11.6588 15.1709 15.1709 k = 0.0000 0.1000-0.0000 ( 5233 PWs) bands (ev): -61.6083 -61.6083 -33.6103 -33.6103 -32.6252 -32.6252 -32.6243 -32.6243 -7.9534 -7.9534 -7.2331 -7.2331 -7.2265 -7.2265 -6.5806 -6.5806 -6.5777 -6.5777 -4.5139 -4.5139 -4.4976 -4.4976 -4.4889 -4.4889 3.8749 3.8749 5.8134 5.8134 5.9706 5.9706 6.0162 6.0162 8.3612 8.3612 8.3833 8.3833 8.5041 8.5041 8.5608 8.5608 8.7178 8.7178 8.7737 8.7737 9.9893 9.9893 10.1850 10.1850 10.2260 10.2260 11.4090 11.4090 11.7263 11.7263 15.1184 15.1184 k = 0.0000 0.1125-0.0000 ( 5237 PWs) bands (ev): -61.6086 -61.6086 -33.6104 -33.6104 -32.6254 -32.6254 -32.6243 -32.6243 -7.9432 -7.9432 -7.2323 -7.2323 -7.2239 -7.2239 -6.5827 -6.5827 -6.5789 -6.5789 -4.5148 -4.5148 -4.4996 -4.4996 -4.4888 -4.4888 3.8333 3.8333 5.8276 5.8276 5.9814 5.9814 6.0308 6.0308 8.3186 8.3186 8.3437 8.3437 8.4985 8.4985 8.5347 8.5347 8.7121 8.7121 8.7707 8.7707 9.9898 9.9898 10.2324 10.2324 10.2733 10.2733 11.4090 11.4090 11.7958 11.7958 15.0593 15.0593 k = 0.0000 0.1250-0.0000 ( 5233 PWs) bands (ev): -61.6083 -61.6083 -33.6104 -33.6104 -32.6255 -32.6255 -32.6243 -32.6243 -7.9319 -7.9319 -7.2314 -7.2314 -7.2212 -7.2212 -6.5850 -6.5850 -6.5802 -6.5802 -4.5157 -4.5157 -4.5018 -4.5018 -4.4887 -4.4887 3.7896 3.7896 5.8424 5.8424 5.9934 5.9934 6.0431 6.0431 8.2729 8.2729 8.3007 8.3007 8.4924 8.4924 8.5101 8.5101 8.7097 8.7097 8.7693 8.7693 9.9907 9.9907 10.2839 10.2839 10.3249 10.3249 11.4094 11.4094 11.8702 11.8702 14.9937 14.9937 k = 0.0000 0.1375-0.0000 ( 5217 PWs) bands (ev): -61.6071 -61.6071 -33.6103 -33.6103 -32.6254 -32.6254 -32.6241 -32.6241 -7.9196 -7.9196 -7.2305 -7.2305 -7.2181 -7.2181 -6.5876 -6.5876 -6.5816 -6.5816 -4.5168 -4.5168 -4.5041 -4.5041 -4.4885 -4.4885 3.7446 3.7446 5.8578 5.8578 6.0066 6.0066 6.0520 6.0520 8.2252 8.2252 8.2554 8.2554 8.4859 8.4859 8.4890 8.4890 8.7098 8.7098 8.7694 8.7694 9.9923 9.9923 10.3400 10.3400 10.3810 10.3810 11.4116 11.4116 11.9482 11.9482 14.9219 14.9219 k = 0.0000 0.1500-0.0000 ( 5209 PWs) bands (ev): -61.6066 -61.6066 -33.6103 -33.6103 -32.6254 -32.6254 -32.6240 -32.6240 -7.9063 -7.9063 -7.2296 -7.2296 -7.2149 -7.2149 -6.5905 -6.5905 -6.5832 -6.5832 -4.5180 -4.5180 -4.5064 -4.5064 -4.4884 -4.4884 3.6986 3.6986 5.8736 5.8736 6.0210 6.0210 6.0570 6.0570 8.1751 8.1751 8.2073 8.2073 8.4733 8.4733 8.4790 8.4790 8.7119 8.7119 8.7707 8.7707 9.9954 9.9954 10.3936 10.3936 10.4349 10.4349 11.4087 11.4087 12.0323 12.0323 14.8442 14.8442 k = 0.0000 0.1625-0.0000 ( 5205 PWs) bands (ev): -61.6063 -61.6063 -33.6103 -33.6103 -32.6255 -32.6255 -32.6240 -32.6240 -7.8920 -7.8920 -7.2286 -7.2286 -7.2114 -7.2114 -6.5937 -6.5937 -6.5848 -6.5848 -4.5195 -4.5195 -4.5088 -4.5088 -4.4882 -4.4882 3.6520 3.6520 5.8895 5.8895 6.0366 6.0366 6.0572 6.0572 8.1235 8.1235 8.1575 8.1575 8.4639 8.4639 8.4717 8.4717 8.7155 8.7155 8.7731 8.7731 9.9959 9.9959 10.4482 10.4482 10.4898 10.4898 11.4087 11.4087 12.1133 12.1133 14.7610 14.7610 k = 0.0000 0.1750-0.0000 ( 5205 PWs) bands (ev): -61.6063 -61.6063 -33.6104 -33.6104 -32.6257 -32.6257 -32.6240 -32.6240 -7.8768 -7.8768 -7.2276 -7.2276 -7.2078 -7.2078 -6.5972 -6.5972 -6.5866 -6.5866 -4.5212 -4.5212 -4.5111 -4.5111 -4.4881 -4.4881 3.6054 3.6054 5.9048 5.9048 6.0528 6.0528 6.0532 6.0532 8.0707 8.0707 8.1063 8.1063 8.4618 8.4618 8.4641 8.4641 8.7203 8.7203 8.7764 8.7764 9.9961 9.9961 10.5024 10.5024 10.5444 10.5444 11.4086 11.4086 12.1932 12.1932 14.6727 14.6727 k = 0.0000 0.1875-0.0000 ( 5201 PWs) bands (ev): -61.6061 -61.6061 -33.6104 -33.6104 -32.6259 -32.6259 -32.6239 -32.6239 -7.8608 -7.8608 -7.2266 -7.2266 -7.2039 -7.2039 -6.6010 -6.6010 -6.5885 -6.5885 -4.5232 -4.5232 -4.5132 -4.5132 -4.4879 -4.4879 3.5590 3.5590 5.9183 5.9183 6.0450 6.0450 6.0711 6.0711 8.0171 8.0171 8.0542 8.0542 8.4562 8.4562 8.4677 8.4677 8.7262 8.7262 8.7805 8.7805 9.9984 9.9984 10.5575 10.5575 10.5999 10.5999 11.4070 11.4070 12.2731 12.2731 14.5797 14.5797 k = 0.0000 0.2000-0.0000 ( 5201 PWs) bands (ev): -61.6061 -61.6061 -33.6105 -33.6105 -32.6261 -32.6261 -32.6239 -32.6239 -7.8441 -7.8441 -7.2255 -7.2255 -7.1999 -7.1999 -6.6052 -6.6052 -6.5904 -6.5904 -4.5256 -4.5256 -4.5152 -4.5152 -4.4877 -4.4877 3.5131 3.5131 5.9267 5.9267 6.0368 6.0368 6.0899 6.0899 7.9629 7.9629 8.0013 8.0013 8.4481 8.4481 8.4819 8.4819 8.7331 8.7331 8.7852 8.7852 9.9986 9.9986 10.6116 10.6116 10.6544 10.6544 11.4070 11.4070 12.3513 12.3513 14.4827 14.4827 k = 0.0000 0.2125-0.0000 ( 5205 PWs) bands (ev): -61.6064 -61.6064 -33.6106 -33.6106 -32.6264 -32.6264 -32.6239 -32.6239 -7.8266 -7.8266 -7.2245 -7.2245 -7.1958 -7.1958 -6.6097 -6.6097 -6.5924 -6.5924 -4.5283 -4.5283 -4.5169 -4.5169 -4.4875 -4.4875 3.4681 3.4681 5.9245 5.9245 6.0340 6.0340 6.1099 6.1099 7.9082 7.9082 7.9479 7.9479 8.4398 8.4398 8.5041 8.5041 8.7408 8.7408 8.7905 8.7905 9.9987 9.9987 10.6651 10.6651 10.7084 10.7084 11.4078 11.4078 12.4235 12.4235 14.3822 14.3822 k = 0.0000 0.2250-0.0000 ( 5205 PWs) bands (ev): -61.6064 -61.6064 -33.6107 -33.6107 -32.6266 -32.6266 -32.6239 -32.6239 -7.8085 -7.8085 -7.2235 -7.2235 -7.1915 -7.1915 -6.6145 -6.6145 -6.5945 -6.5945 -4.5313 -4.5313 -4.5185 -4.5185 -4.4873 -4.4873 3.4242 3.4242 5.9079 5.9079 6.0410 6.0410 6.1309 6.1309 7.8533 7.8533 7.8944 7.8944 8.4313 8.4313 8.5341 8.5341 8.7494 8.7494 8.7963 8.7963 9.9989 9.9989 10.7181 10.7181 10.7619 10.7619 11.4078 11.4078 12.4977 12.4977 14.2790 14.2790 k = 0.0000 0.2375-0.0000 ( 5202 PWs) bands (ev): -61.6062 -61.6062 -33.6108 -33.6108 -32.6268 -32.6268 -32.6238 -32.6238 -7.7898 -7.7898 -7.2226 -7.2226 -7.1872 -7.1872 -6.6196 -6.6196 -6.5967 -6.5967 -4.5345 -4.5345 -4.5199 -4.5199 -4.4872 -4.4872 3.3815 3.3815 5.8792 5.8792 6.0561 6.0561 6.1530 6.1530 7.7985 7.7985 7.8408 7.8408 8.4229 8.4229 8.5710 8.5710 8.7591 8.7591 8.8024 8.8024 10.0007 10.0007 10.7707 10.7707 10.8151 10.8151 11.4078 11.4078 12.5684 12.5684 14.1737 14.1737 k = 0.0000 0.2500-0.0000 ( 5202 PWs) bands (ev): -61.6062 -61.6062 -33.6109 -33.6109 -32.6271 -32.6271 -32.6238 -32.6238 -7.7707 -7.7707 -7.2216 -7.2216 -7.1828 -7.1828 -6.6251 -6.6251 -6.5989 -6.5989 -4.5378 -4.5378 -4.5212 -4.5212 -4.4870 -4.4870 3.3402 3.3402 5.8423 5.8423 6.0761 6.0761 6.1760 6.1760 7.7437 7.7437 7.7872 7.7872 8.4143 8.4143 8.6136 8.6136 8.7705 8.7705 8.8088 8.8088 10.0009 10.0009 10.8216 10.8216 10.8666 10.8666 11.4079 11.4079 12.6363 12.6363 14.0673 14.0673 k = 0.0000 0.2625-0.0000 ( 5202 PWs) bands (ev): -61.6062 -61.6062 -33.6110 -33.6110 -32.6273 -32.6273 -32.6238 -32.6238 -7.7511 -7.7511 -7.2208 -7.2208 -7.1783 -7.1783 -6.6308 -6.6308 -6.6012 -6.6012 -4.5411 -4.5411 -4.5225 -4.5225 -4.4868 -4.4868 3.3006 3.3006 5.7999 5.7999 6.0991 6.0991 6.2001 6.2001 7.6891 7.6891 7.7339 7.7339 8.4059 8.4059 8.6597 8.6597 8.7850 8.7850 8.8153 8.8153 10.0011 10.0011 10.8712 10.8712 10.9168 10.9168 11.4079 11.4079 12.7001 12.7001 13.9607 13.9607 k = 0.0000 0.2750-0.0000 ( 5202 PWs) bands (ev): -61.6062 -61.6062 -33.6110 -33.6110 -32.6275 -32.6275 -32.6237 -32.6237 -7.7313 -7.7313 -7.2200 -7.2200 -7.1739 -7.1739 -6.6369 -6.6369 -6.6034 -6.6034 -4.5445 -4.5445 -4.5237 -4.5237 -4.4866 -4.4866 3.2627 3.2627 5.7538 5.7538 6.1242 6.1242 6.2251 6.2251 7.6348 7.6348 7.6809 7.6809 8.3975 8.3975 8.7048 8.7048 8.8061 8.8061 8.8221 8.8221 10.0013 10.0013 10.9193 10.9193 10.9655 10.9655 11.4080 11.4080 12.7590 12.7590 13.8551 13.8551 k = 0.0000 0.2875-0.0000 ( 5206 PWs) bands (ev): -61.6065 -61.6065 -33.6112 -33.6112 -32.6278 -32.6278 -32.6237 -32.6237 -7.7113 -7.7113 -7.2193 -7.2193 -7.1694 -7.1694 -6.6432 -6.6432 -6.6057 -6.6057 -4.5480 -4.5480 -4.5248 -4.5248 -4.4864 -4.4864 3.2266 3.2266 5.7049 5.7049 6.1508 6.1508 6.2511 6.2511 7.5808 7.5808 7.6282 7.6282 8.3893 8.3893 8.7412 8.7412 8.8289 8.8289 8.8406 8.8406 10.0015 10.0015 10.9657 10.9657 11.0126 11.0126 11.4082 11.4082 12.8084 12.8084 13.7521 13.7521 k = 0.0000 0.3000-0.0000 ( 5214 PWs) bands (ev): -61.6070 -61.6070 -33.6114 -33.6114 -32.6281 -32.6281 -32.6239 -32.6239 -7.6912 -7.6912 -7.2187 -7.2187 -7.1650 -7.1650 -6.6498 -6.6498 -6.6080 -6.6080 -4.5513 -4.5513 -4.5259 -4.5259 -4.4863 -4.4863 3.1925 3.1925 5.6551 5.6551 6.1788 6.1788 6.2780 6.2780 7.5270 7.5270 7.5757 7.5757 8.3812 8.3812 8.7651 8.7651 8.8357 8.8357 8.8915 8.8915 9.9970 9.9970 11.0088 11.0088 11.0563 11.0563 11.4079 11.4079 12.8550 12.8550 13.6542 13.6542 k = 0.0000 0.3125-0.0000 ( 5214 PWs) bands (ev): -61.6070 -61.6070 -33.6114 -33.6114 -32.6283 -32.6283 -32.6239 -32.6239 -7.6711 -7.6711 -7.2182 -7.2182 -7.1607 -7.1607 -6.6566 -6.6566 -6.6102 -6.6102 -4.5546 -4.5546 -4.5270 -4.5270 -4.4861 -4.4861 3.1603 3.1603 5.6045 5.6045 6.2079 6.2079 6.3058 6.3058 7.4739 7.4739 7.5241 7.5241 8.3734 8.3734 8.7811 8.7811 8.8425 8.8425 8.9536 8.9536 9.9972 9.9972 11.0513 11.0513 11.0996 11.0996 11.4081 11.4081 12.8885 12.8885 13.5645 13.5645 k = 0.0000 0.3250-0.0000 ( 5206 PWs) bands (ev): -61.6064 -61.6064 -33.6114 -33.6114 -32.6283 -32.6283 -32.6238 -32.6238 -7.6512 -7.6512 -7.2178 -7.2178 -7.1564 -7.1564 -6.6635 -6.6635 -6.6124 -6.6124 -4.5579 -4.5579 -4.5279 -4.5279 -4.4859 -4.4859 3.1303 3.1303 5.5543 5.5543 6.2382 6.2382 6.3345 6.3345 7.4216 7.4216 7.4732 7.4732 8.3658 8.3658 8.7934 8.7934 8.8491 8.8491 9.0216 9.0216 9.9975 9.9975 11.0933 11.0933 11.1423 11.1423 11.4086 11.4086 12.9091 12.9091 13.4883 13.4883 k = 0.0000 0.3375-0.0000 ( 5210 PWs) bands (ev): -61.6067 -61.6067 -33.6115 -33.6115 -32.6286 -32.6286 -32.6238 -32.6238 -7.6315 -7.6315 -7.2175 -7.2175 -7.1523 -7.1523 -6.6705 -6.6705 -6.6146 -6.6146 -4.5610 -4.5610 -4.5289 -4.5289 -4.4858 -4.4858 3.1023 3.1023 5.5043 5.5043 6.2695 6.2695 6.3641 6.3641 7.3696 7.3696 7.4227 7.4227 8.3586 8.3586 8.8039 8.8039 8.8556 8.8556 9.0928 9.0928 9.9977 9.9977 11.1314 11.1314 11.1810 11.1810 11.4090 11.4090 12.9039 12.9039 13.4299 13.4299 k = 0.0000 0.3500-0.0000 ( 5206 PWs) bands (ev): -61.6064 -61.6064 -33.6116 -33.6116 -32.6288 -32.6288 -32.6237 -32.6237 -7.6123 -7.6123 -7.2174 -7.2174 -7.1484 -7.1484 -6.6776 -6.6776 -6.6167 -6.6167 -4.5640 -4.5640 -4.5298 -4.5298 -4.4856 -4.4856 3.0765 3.0765 5.4566 5.4566 6.3017 6.3017 6.3945 6.3945 7.3182 7.3182 7.3728 7.3728 8.3518 8.3518 8.8132 8.8132 8.8619 8.8619 9.1658 9.1658 9.9992 9.9992 11.1666 11.1666 11.2168 11.2168 11.4113 11.4113 12.8780 12.8780 13.3957 13.3957 k = 0.0000 0.3625-0.0000 ( 5206 PWs) bands (ev): -61.6064 -61.6064 -33.6117 -33.6117 -32.6289 -32.6289 -32.6237 -32.6237 -7.5936 -7.5936 -7.2174 -7.2174 -7.1446 -7.1446 -6.6847 -6.6847 -6.6187 -6.6187 -4.5668 -4.5668 -4.5306 -4.5306 -4.4855 -4.4855 3.0528 3.0528 5.4105 5.4105 6.3348 6.3348 6.4258 6.4258 7.2675 7.2675 7.3236 7.3236 8.3453 8.3453 8.8216 8.8216 8.8679 8.8679 9.2394 9.2394 9.9993 9.9993 11.1997 11.1997 11.2505 11.2505 11.4119 11.4119 12.8289 12.8289 13.3826 13.3826 k = 0.0000 0.3750-0.0000 ( 5218 PWs) bands (ev): -61.6072 -61.6072 -33.6118 -33.6118 -32.6292 -32.6292 -32.6239 -32.6239 -7.5757 -7.5757 -7.2175 -7.2175 -7.1410 -7.1410 -6.6916 -6.6916 -6.6206 -6.6206 -4.5694 -4.5694 -4.5314 -4.5314 -4.4854 -4.4854 3.0312 3.0312 5.3665 5.3665 6.3689 6.3689 6.4578 6.4578 7.2172 7.2172 7.2750 7.2750 8.3393 8.3393 8.8294 8.8294 8.8735 8.8735 9.3124 9.3124 9.9973 9.9973 11.2286 11.2286 11.2797 11.2797 11.4094 11.4094 12.7643 12.7643 13.3844 13.3844 k = 0.0000 0.3875-0.0000 ( 5214 PWs) bands (ev): -61.6069 -61.6069 -33.6119 -33.6119 -32.6293 -32.6293 -32.6239 -32.6239 -7.5586 -7.5586 -7.2178 -7.2178 -7.1377 -7.1377 -6.6984 -6.6984 -6.6224 -6.6224 -4.5719 -4.5719 -4.5321 -4.5321 -4.4852 -4.4852 3.0118 3.0118 5.3262 5.3262 6.4038 6.4038 6.4907 6.4907 7.1678 7.1678 7.2274 7.2274 8.3337 8.3337 8.8365 8.8365 8.8788 8.8788 9.3840 9.3840 9.9975 9.9975 11.2565 11.2565 11.3077 11.3077 11.4107 11.4107 12.6928 12.6928 13.3980 13.3980 k = 0.0000 0.4000-0.0000 ( 5222 PWs) bands (ev): -61.6074 -61.6074 -33.6120 -33.6120 -32.6295 -32.6295 -32.6239 -32.6239 -7.5426 -7.5426 -7.2182 -7.2182 -7.1347 -7.1347 -6.7048 -6.7048 -6.6241 -6.6241 -4.5741 -4.5741 -4.5328 -4.5328 -4.4851 -4.4851 2.9945 2.9945 5.2888 5.2888 6.4394 6.4394 6.5242 6.5242 7.1188 7.1188 7.1801 7.1801 8.3287 8.3287 8.8430 8.8430 8.8837 8.8837 9.4530 9.4530 9.9970 9.9970 11.2792 11.2792 11.3300 11.3300 11.4118 11.4118 12.6179 12.6179 13.4132 13.4132 k = 0.0000 0.4125-0.0000 ( 5214 PWs) bands (ev): -61.6068 -61.6068 -33.6120 -33.6120 -32.6295 -32.6295 -32.6239 -32.6239 -7.5278 -7.5278 -7.2187 -7.2187 -7.1319 -7.1319 -6.7108 -6.7108 -6.6256 -6.6256 -4.5761 -4.5761 -4.5334 -4.5334 -4.4850 -4.4850 2.9794 2.9794 5.2550 5.2550 6.4762 6.4762 6.5588 6.5588 7.0710 7.0710 7.1343 7.1343 8.3242 8.3242 8.8487 8.8487 8.8881 8.8881 9.5183 9.5183 9.9984 9.9984 11.3033 11.3033 11.3523 11.3523 11.4151 11.4151 12.5448 12.5448 13.4307 13.4307 k = 0.0000 0.4250-0.0000 ( 5210 PWs) bands (ev): -61.6065 -61.6065 -33.6120 -33.6120 -32.6296 -32.6296 -32.6238 -32.6238 -7.5145 -7.5145 -7.2192 -7.2192 -7.1294 -7.1294 -6.7164 -6.7164 -6.6269 -6.6269 -4.5779 -4.5779 -4.5339 -4.5339 -4.4850 -4.4850 2.9663 2.9663 5.2248 5.2248 6.5138 6.5138 6.5940 6.5940 7.0239 7.0239 7.0893 7.0893 8.3202 8.3202 8.8538 8.8538 8.8919 8.8919 9.5787 9.5787 9.9989 9.9989 11.3242 11.3242 11.3695 11.3695 11.4207 11.4207 12.4758 12.4758 13.4457 13.4457 k = 0.0000 0.4375-0.0000 ( 5210 PWs) bands (ev): -61.6065 -61.6065 -33.6120 -33.6120 -32.6297 -32.6297 -32.6238 -32.6238 -7.5028 -7.5028 -7.2198 -7.2198 -7.1273 -7.1273 -6.7213 -6.7213 -6.6281 -6.6281 -4.5794 -4.5794 -4.5343 -4.5343 -4.4849 -4.4849 2.9553 2.9553 5.1990 5.1990 6.5520 6.5520 6.6296 6.6296 6.9773 6.9773 7.0451 7.0451 8.3168 8.3168 8.8582 8.8582 8.8953 8.8953 9.6331 9.6331 9.9990 9.9990 11.3401 11.3401 11.3801 11.3801 11.4275 11.4275 12.4138 12.4138 13.4608 13.4608 k = 0.0000 0.4500-0.0000 ( 5218 PWs) bands (ev): -61.6070 -61.6070 -33.6121 -33.6121 -32.6299 -32.6299 -32.6239 -32.6239 -7.4929 -7.4929 -7.2204 -7.2204 -7.1256 -7.1256 -6.7254 -6.7254 -6.6290 -6.6290 -4.5807 -4.5807 -4.5347 -4.5347 -4.4848 -4.4848 2.9464 2.9464 5.1778 5.1778 6.5908 6.5908 6.6657 6.6657 6.9311 6.9311 7.0015 7.0015 8.3140 8.3140 8.8618 8.8618 8.8981 8.8981 9.6800 9.6800 9.9967 9.9967 11.3504 11.3504 11.3863 11.3863 11.4344 11.4344 12.3603 12.3603 13.4742 13.4742 k = 0.0000 0.4625-0.0000 ( 5226 PWs) bands (ev): -61.6076 -61.6076 -33.6122 -33.6122 -32.6300 -32.6300 -32.6240 -32.6240 -7.4849 -7.4849 -7.2209 -7.2209 -7.1242 -7.1242 -6.7288 -6.7288 -6.6298 -6.6298 -4.5817 -4.5817 -4.5350 -4.5350 -4.4848 -4.4848 2.9394 2.9394 5.1610 5.1610 6.6305 6.6305 6.7020 6.7020 6.8858 6.8858 6.9594 6.9594 8.3118 8.3118 8.8646 8.8646 8.9003 8.9003 9.7182 9.7182 9.9960 9.9960 11.3581 11.3581 11.3887 11.3887 11.4397 11.4397 12.3168 12.3168 13.4846 13.4846 k = 0.0000 0.4750-0.0000 ( 5238 PWs) bands (ev): -61.6085 -61.6085 -33.6124 -33.6124 -32.6304 -32.6304 -32.6239 -32.6239 -7.4792 -7.4792 -7.2214 -7.2214 -7.1232 -7.1232 -6.7313 -6.7313 -6.6303 -6.6303 -4.5824 -4.5824 -4.5352 -4.5352 -4.4848 -4.4848 2.9345 2.9345 5.1476 5.1476 6.6710 6.6710 6.7377 6.7377 6.8414 6.8414 6.9196 6.9196 8.3102 8.3102 8.8666 8.8666 8.9018 8.9018 9.7464 9.7464 9.9975 9.9975 11.3645 11.3645 11.3909 11.3909 11.4451 11.4451 12.2833 12.2833 13.4818 13.4818 k = 0.0000 0.4875-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6123 -33.6123 -32.6303 -32.6303 -32.6239 -32.6239 -7.4757 -7.4757 -7.2217 -7.2217 -7.1226 -7.1226 -6.7328 -6.7328 -6.6307 -6.6307 -4.5828 -4.5828 -4.5353 -4.5353 -4.4847 -4.4847 2.9315 2.9315 5.1406 5.1406 6.7122 6.7122 6.7699 6.7699 6.7982 6.7982 6.8853 6.8853 8.3093 8.3093 8.8679 8.8679 8.9028 8.9028 9.7638 9.7638 9.9975 9.9975 11.3701 11.3701 11.3926 11.3926 11.4499 11.4499 12.2641 12.2641 13.4894 13.4894 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6123 -33.6123 -32.6303 -32.6303 -32.6239 -32.6239 -7.4745 -7.4745 -7.2217 -7.2217 -7.1224 -7.1224 -6.7333 -6.7333 -6.6308 -6.6308 -4.5829 -4.5829 -4.5353 -4.5353 -4.4847 -4.4847 2.9306 2.9306 5.1381 5.1381 6.7482 6.7482 6.7614 6.7614 6.7863 6.7863 6.8681 6.8681 8.3090 8.3090 8.8683 8.8683 8.9031 8.9031 9.7697 9.7697 9.9975 9.9975 11.3715 11.3715 11.3929 11.3929 11.4512 11.4512 12.2575 12.2575 13.4909 13.4909 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6123 -33.6123 -32.6303 -32.6303 -32.6239 -32.6239 -7.4745 -7.4745 -7.2217 -7.2217 -7.1224 -7.1224 -6.7333 -6.7333 -6.6308 -6.6308 -4.5829 -4.5829 -4.5353 -4.5353 -4.4847 -4.4847 2.9306 2.9306 5.1381 5.1381 6.7482 6.7482 6.7614 6.7614 6.7863 6.7863 6.8681 6.8681 8.3090 8.3090 8.8683 8.8683 8.9031 8.9031 9.7697 9.7697 9.9975 9.9975 11.3715 11.3715 11.3929 11.3929 11.4512 11.4512 12.2575 12.2575 13.4909 13.4909 k = 0.0125 0.5000-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6123 -33.6123 -32.6303 -32.6303 -32.6239 -32.6239 -7.4743 -7.4743 -7.2214 -7.2214 -7.1224 -7.1224 -6.7335 -6.7335 -6.6305 -6.6305 -4.5828 -4.5828 -4.5353 -4.5353 -4.4847 -4.4847 2.9298 2.9298 5.1382 5.1382 6.7479 6.7479 6.7602 6.7602 6.7851 6.7851 6.8680 6.8680 8.3114 8.3114 8.8636 8.8636 8.8982 8.8982 9.7674 9.7674 10.0020 10.0020 11.3722 11.3722 11.3962 11.3962 11.4525 11.4525 12.2612 12.2612 13.4926 13.4926 k = 0.0250 0.5000-0.0000 ( 5238 PWs) bands (ev): -61.6085 -61.6085 -33.6124 -33.6124 -32.6304 -32.6304 -32.6240 -32.6240 -7.4737 -7.4737 -7.2206 -7.2206 -7.1223 -7.1223 -6.7342 -6.7342 -6.6295 -6.6295 -4.5825 -4.5825 -4.5352 -4.5352 -4.4847 -4.4847 2.9276 2.9276 5.1379 5.1379 6.7461 6.7461 6.7564 6.7564 6.7826 6.7826 6.8677 6.8677 8.3188 8.3188 8.8496 8.8496 8.8840 8.8840 9.7607 9.7607 10.0138 10.0138 11.3738 11.3738 11.4029 11.4029 11.4555 11.4555 12.2723 12.2723 13.4968 13.4968 k = 0.0375 0.5000-0.0000 ( 5242 PWs) bands (ev): -61.6088 -61.6088 -33.6125 -33.6125 -32.6305 -32.6305 -32.6241 -32.6241 -7.4727 -7.4727 -7.2191 -7.2191 -7.1221 -7.1221 -6.7353 -6.7353 -6.6279 -6.6279 -4.5820 -4.5820 -4.5350 -4.5350 -4.4847 -4.4847 2.9240 2.9240 5.1380 5.1380 6.7381 6.7381 6.7524 6.7524 6.7810 6.7810 6.8673 6.8673 8.3308 8.3308 8.8265 8.8265 8.8613 8.8613 9.7496 9.7496 10.0343 10.0343 11.3750 11.3750 11.4173 11.4173 11.4640 11.4640 12.2907 12.2907 13.5041 13.5041 k = 0.0500 0.5000-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6124 -33.6124 -32.6304 -32.6304 -32.6239 -32.6239 -7.4714 -7.4714 -7.2170 -7.2170 -7.1219 -7.1219 -6.7368 -6.7368 -6.6259 -6.6259 -4.5812 -4.5812 -4.5347 -4.5347 -4.4846 -4.4846 2.9189 2.9189 5.1384 5.1384 6.7209 6.7209 6.7512 6.7512 6.7811 6.7811 6.8678 6.8678 8.3474 8.3474 8.7943 8.7943 8.8317 8.8317 9.7343 9.7343 10.0678 10.0678 11.3805 11.3805 11.4324 11.4324 11.4804 11.4804 12.3166 12.3166 13.5165 13.5165 k = 0.0625 0.5000-0.0000 ( 5226 PWs) bands (ev): -61.6076 -61.6076 -33.6123 -33.6123 -32.6303 -32.6303 -32.6239 -32.6239 -7.4697 -7.4697 -7.2143 -7.2143 -7.1215 -7.1215 -6.7386 -6.7386 -6.6233 -6.6233 -4.5803 -4.5803 -4.5344 -4.5344 -4.4845 -4.4845 2.9124 2.9124 5.1386 5.1386 6.6966 6.6966 6.7504 6.7504 6.7825 6.7825 6.8688 6.8688 8.3683 8.3683 8.7535 8.7535 8.7968 8.7968 9.7149 9.7149 10.1037 10.1037 11.3854 11.3854 11.4457 11.4457 11.5050 11.5050 12.3494 12.3494 13.5318 13.5318 k = 0.0750 0.5000-0.0000 ( 5224 PWs) bands (ev): -61.6075 -61.6075 -33.6124 -33.6124 -32.6303 -32.6303 -32.6240 -32.6240 -7.4678 -7.4678 -7.2110 -7.2110 -7.1211 -7.1211 -6.7405 -6.7405 -6.6205 -6.6205 -4.5792 -4.5792 -4.5340 -4.5340 -4.4843 -4.4843 2.9046 2.9046 5.1388 5.1388 6.6663 6.6663 6.7494 6.7494 6.7849 6.7849 6.8705 6.8705 8.3930 8.3930 8.7048 8.7048 8.7579 8.7579 9.6917 9.6917 10.1436 10.1436 11.3897 11.3897 11.4579 11.4579 11.5365 11.5365 12.3888 12.3888 13.5515 13.5515 k = 0.0875 0.5000-0.0000 ( 5228 PWs) bands (ev): -61.6078 -61.6078 -33.6124 -33.6124 -32.6303 -32.6303 -32.6242 -32.6242 -7.4657 -7.4657 -7.2071 -7.2071 -7.1204 -7.1204 -6.7425 -6.7425 -6.6175 -6.6175 -4.5780 -4.5780 -4.5335 -4.5335 -4.4840 -4.4840 2.8956 2.8956 5.1388 5.1388 6.6310 6.6310 6.7479 6.7479 6.7880 6.7880 6.8736 6.8736 8.4213 8.4213 8.6495 8.6495 8.7155 8.7155 9.6649 9.6649 10.1852 10.1852 11.3939 11.3939 11.4696 11.4696 11.5716 11.5716 12.4344 12.4344 13.5749 13.5749 k = 0.1000 0.5000-0.0000 ( 5232 PWs) bands (ev): -61.6081 -61.6081 -33.6125 -33.6125 -32.6304 -32.6304 -32.6243 -32.6243 -7.4634 -7.4634 -7.2026 -7.2026 -7.1196 -7.1196 -6.7445 -6.7445 -6.6143 -6.6143 -4.5767 -4.5767 -4.5330 -4.5330 -4.4837 -4.4837 2.8852 2.8852 5.1388 5.1388 6.5909 6.5909 6.7459 6.7459 6.7918 6.7918 6.8778 6.8778 8.4526 8.4526 8.5887 8.5887 8.6707 8.6707 9.6348 9.6348 10.2326 10.2326 11.3970 11.3970 11.4824 11.4824 11.6085 11.6085 12.4854 12.4854 13.6008 13.6008 k = 0.1125 0.5000-0.0000 ( 5220 PWs) bands (ev): -61.6072 -61.6072 -33.6125 -33.6125 -32.6303 -32.6303 -32.6243 -32.6243 -7.4610 -7.4610 -7.1974 -7.1974 -7.1186 -7.1186 -6.7464 -6.7464 -6.6110 -6.6110 -4.5754 -4.5754 -4.5324 -4.5324 -4.4832 -4.4832 2.8738 2.8738 5.1391 5.1391 6.5469 6.5469 6.7437 6.7437 6.7964 6.7964 6.8843 6.8843 8.4864 8.4864 8.5239 8.5239 8.6240 8.6240 9.6018 9.6018 10.2840 10.2840 11.4034 11.4034 11.4978 11.4978 11.6512 11.6512 12.5415 12.5415 13.6326 13.6326 k = 0.1250 0.5000-0.0000 ( 5232 PWs) bands (ev): -61.6081 -61.6081 -33.6127 -33.6127 -32.6304 -32.6304 -32.6246 -32.6246 -7.4586 -7.4586 -7.1918 -7.1918 -7.1172 -7.1172 -6.7483 -6.7483 -6.6078 -6.6078 -4.5740 -4.5740 -4.5317 -4.5317 -4.4826 -4.4826 2.8612 2.8612 5.1386 5.1386 6.4991 6.4991 6.7410 6.7410 6.8014 6.8014 6.8916 6.8916 8.4555 8.4555 8.5224 8.5224 8.5753 8.5753 9.5661 9.5661 10.3332 10.3332 11.4055 11.4055 11.5119 11.5119 11.6903 11.6903 12.6012 12.6012 13.6643 13.6643 k = 0.1375 0.5000-0.0000 ( 5232 PWs) bands (ev): -61.6081 -61.6081 -33.6127 -33.6127 -32.6305 -32.6305 -32.6247 -32.6247 -7.4562 -7.4562 -7.1857 -7.1857 -7.1154 -7.1154 -6.7499 -6.7499 -6.6047 -6.6047 -4.5727 -4.5727 -4.5310 -4.5310 -4.4817 -4.4817 2.8477 2.8477 5.1385 5.1385 6.4483 6.4483 6.7386 6.7386 6.8071 6.8071 6.9004 6.9004 8.3851 8.3851 8.5247 8.5247 8.5609 8.5609 9.5283 9.5283 10.3862 10.3862 11.4080 11.4080 11.5287 11.5287 11.7321 11.7321 12.6643 12.6643 13.7015 13.7015 k = 0.1500 0.5000-0.0000 ( 5232 PWs) bands (ev): -61.6081 -61.6081 -33.6128 -33.6128 -32.6305 -32.6305 -32.6248 -32.6248 -7.4540 -7.4540 -7.1792 -7.1792 -7.1131 -7.1131 -6.7514 -6.7514 -6.6018 -6.6018 -4.5714 -4.5714 -4.5303 -4.5303 -4.4807 -4.4807 2.8332 2.8332 5.1382 5.1382 6.3947 6.3947 6.7365 6.7365 6.8134 6.8134 6.9108 6.9108 8.3132 8.3132 8.4747 8.4747 8.5992 8.5992 9.4886 9.4886 10.4412 10.4412 11.4107 11.4107 11.5462 11.5462 11.7717 11.7717 12.7296 12.7296 13.7425 13.7425 k = 0.1625 0.5000-0.0000 ( 5224 PWs) bands (ev): -61.6075 -61.6075 -33.6128 -33.6128 -32.6304 -32.6304 -32.6248 -32.6248 -7.4519 -7.4519 -7.1726 -7.1726 -7.1099 -7.1099 -6.7526 -6.7526 -6.5990 -6.5990 -4.5701 -4.5701 -4.5297 -4.5297 -4.4793 -4.4793 2.8180 2.8180 5.1381 5.1381 6.3390 6.3390 6.7350 6.7350 6.8202 6.8202 6.9227 6.9227 8.2405 8.2405 8.4240 8.4240 8.6381 8.6381 9.4477 9.4477 10.4971 10.4971 11.4149 11.4149 11.5649 11.5649 11.8114 11.8114 12.7963 12.7963 13.7900 13.7900 k = 0.1750 0.5000-0.0000 ( 5228 PWs) bands (ev): -61.6077 -61.6077 -33.6129 -33.6129 -32.6305 -32.6305 -32.6250 -32.6250 -7.4500 -7.4500 -7.1661 -7.1661 -7.1058 -7.1058 -6.7535 -6.7535 -6.5966 -6.5966 -4.5690 -4.5690 -4.5291 -4.5291 -4.4777 -4.4777 2.8020 2.8020 5.1374 5.1374 6.2815 6.2815 6.7341 6.7341 6.8277 6.8277 6.9351 6.9351 8.1676 8.1676 8.3728 8.3728 8.6766 8.6766 9.4062 9.4062 10.5528 10.5528 11.4155 11.4155 11.5830 11.5830 11.8473 11.8473 12.8631 12.8631 13.8388 13.8388 k = 0.1875 0.5000-0.0000 ( 5222 PWs) bands (ev): -61.6073 -61.6073 -33.6129 -33.6129 -32.6306 -32.6306 -32.6250 -32.6250 -7.4483 -7.4483 -7.1599 -7.1599 -7.1005 -7.1005 -6.7542 -6.7542 -6.5945 -6.5945 -4.5679 -4.5679 -4.5285 -4.5285 -4.4757 -4.4757 2.7855 2.7855 5.1365 5.1365 6.2230 6.2230 6.7344 6.7344 6.8359 6.8359 6.9487 6.9487 8.0950 8.0950 8.3221 8.3221 8.7138 8.7138 9.3650 9.3650 10.6107 10.6107 11.4179 11.4179 11.6029 11.6029 11.8834 11.8834 12.9292 12.9292 13.8915 13.8915 k = 0.2000 0.5000-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6131 -33.6131 -32.6308 -32.6308 -32.6252 -32.6252 -7.4469 -7.4469 -7.1543 -7.1543 -7.0936 -7.0936 -6.7546 -6.7546 -6.5927 -6.5927 -4.5670 -4.5670 -4.5281 -4.5281 -4.4734 -4.4734 2.7685 2.7685 5.1347 5.1347 6.1635 6.1635 6.7357 6.7357 6.8447 6.8447 6.9628 6.9628 8.0231 8.0231 8.2708 8.2708 8.7483 8.7483 9.3252 9.3252 10.6645 10.6645 11.4187 11.4187 11.6226 11.6226 11.9165 11.9165 12.9936 12.9936 13.9440 13.9440 k = 0.2125 0.5000-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6132 -33.6132 -32.6308 -32.6308 -32.6254 -32.6254 -7.4458 -7.4458 -7.1495 -7.1495 -7.0851 -7.0851 -6.7547 -6.7547 -6.5914 -6.5914 -4.5662 -4.5662 -4.5278 -4.5278 -4.4708 -4.4708 2.7511 2.7511 5.1326 5.1326 6.1042 6.1042 6.7384 6.7384 6.8540 6.8540 6.9778 6.9778 7.9523 7.9523 8.2198 8.2198 8.7785 8.7785 9.2886 9.2886 10.7182 10.7182 11.4205 11.4205 11.6433 11.6433 11.9492 11.9492 13.0560 13.0560 14.0023 14.0023 k = 0.2250 0.5000-0.0000 ( 5228 PWs) bands (ev): -61.6077 -61.6077 -33.6132 -33.6132 -32.6309 -32.6309 -32.6255 -32.6255 -7.4450 -7.4450 -7.1454 -7.1454 -7.0750 -7.0750 -6.7545 -6.7545 -6.5905 -6.5905 -4.5655 -4.5655 -4.5276 -4.5276 -4.4679 -4.4679 2.7334 2.7334 5.1300 5.1300 6.0452 6.0452 6.7423 6.7423 6.8641 6.8641 6.9935 6.9935 7.8829 7.8829 8.1698 8.1698 8.8020 8.8020 9.2573 9.2573 10.7740 10.7740 11.4230 11.4230 11.6635 11.6635 11.9779 11.9779 13.1151 13.1151 14.0628 14.0628 k = 0.2375 0.5000-0.0000 ( 5228 PWs) bands (ev): -61.6077 -61.6077 -33.6133 -33.6133 -32.6310 -32.6310 -32.6256 -32.6256 -7.4445 -7.4445 -7.1421 -7.1421 -7.0634 -7.0634 -6.7540 -6.7540 -6.5901 -6.5901 -4.5649 -4.5649 -4.5275 -4.5275 -4.4647 -4.4647 2.7156 2.7156 5.1266 5.1266 5.9872 5.9872 6.7476 6.7476 6.8748 6.8748 7.0093 7.0093 7.8153 7.8153 8.1202 8.1202 8.8158 8.8158 9.2341 9.2341 10.8277 10.8277 11.4235 11.4235 11.6837 11.6837 12.0062 12.0062 13.1707 13.1707 14.1259 14.1259 k = 0.2500 0.5000-0.0000 ( 5242 PWs) bands (ev): -61.6087 -61.6087 -33.6136 -33.6136 -32.6312 -32.6312 -32.6259 -32.6259 -7.4443 -7.4443 -7.1394 -7.1394 -7.0506 -7.0506 -6.7533 -6.7533 -6.5902 -6.5902 -4.5644 -4.5644 -4.5275 -4.5275 -4.4612 -4.4612 2.6977 2.6977 5.1219 5.1219 5.9301 5.9301 6.7541 6.7541 6.8861 6.8861 7.0255 7.0255 7.7496 7.7496 8.0705 8.0705 8.8172 8.8172 9.2218 9.2218 10.8763 10.8763 11.4247 11.4247 11.7022 11.7022 12.0291 12.0291 13.2219 13.2219 14.1888 14.1888 k = 0.2625 0.5000-0.0000 ( 5236 PWs) bands (ev): -61.6083 -61.6083 -33.6136 -33.6136 -32.6312 -32.6312 -32.6259 -32.6259 -7.4443 -7.4443 -7.1371 -7.1371 -7.0366 -7.0366 -6.7523 -6.7523 -6.5909 -6.5909 -4.5641 -4.5641 -4.5277 -4.5277 -4.4576 -4.4576 2.6800 2.6800 5.1166 5.1166 5.8752 5.8752 6.7625 6.7625 6.8982 6.8982 7.0422 7.0422 7.6862 7.6862 8.0222 8.0222 8.8056 8.8056 9.2215 9.2215 10.9274 10.9274 11.4278 11.4278 11.7246 11.7246 12.0535 12.0535 13.2688 13.2688 14.2548 14.2548 k = 0.2750 0.5000-0.0000 ( 5240 PWs) bands (ev): -61.6085 -61.6085 -33.6137 -33.6137 -32.6314 -32.6314 -32.6261 -32.6261 -7.4445 -7.4445 -7.1351 -7.1351 -7.0218 -7.0218 -6.7511 -6.7511 -6.5921 -6.5921 -4.5638 -4.5638 -4.5279 -4.5279 -4.4538 -4.4538 2.6624 2.6624 5.1099 5.1099 5.8225 5.8225 6.7719 6.7719 6.9109 6.9109 7.0592 7.0592 7.6251 7.6251 7.9746 7.9746 8.7814 8.7814 9.2319 9.2319 10.9764 10.9764 11.4316 11.4316 11.7431 11.7431 12.0732 12.0732 13.3109 13.3109 14.3193 14.3193 k = 0.2875 0.5000-0.0000 ( 5242 PWs) bands (ev): -61.6087 -61.6087 -33.6138 -33.6138 -32.6315 -32.6315 -32.6263 -32.6263 -7.4450 -7.4450 -7.1334 -7.1334 -7.0063 -7.0063 -6.7498 -6.7498 -6.5940 -6.5940 -4.5636 -4.5636 -4.5282 -4.5282 -4.4499 -4.4499 2.6450 2.6450 5.1021 5.1021 5.7735 5.7735 6.7826 6.7826 6.9243 6.9243 7.0758 7.0758 7.5670 7.5670 7.9272 7.9272 8.7478 8.7478 9.2504 9.2504 11.0214 11.0214 11.4335 11.4335 11.7617 11.7617 12.0934 12.0934 13.3483 13.3483 14.3884 14.3884 k = 0.3000 0.5000-0.0000 ( 5238 PWs) bands (ev): -61.6084 -61.6084 -33.6139 -33.6139 -32.6315 -32.6315 -32.6263 -32.6263 -7.4457 -7.4457 -7.1318 -7.1318 -6.9902 -6.9902 -6.7482 -6.7482 -6.5964 -6.5964 -4.5635 -4.5635 -4.5285 -4.5285 -4.4460 -4.4460 2.6281 2.6281 5.0927 5.0927 5.7267 5.7267 6.7948 6.7948 6.9386 6.9386 7.0924 7.0924 7.5114 7.5114 7.8816 7.8816 8.7081 8.7081 9.2740 9.2740 11.0688 11.0688 11.4364 11.4364 11.7834 11.7834 12.1115 12.1115 13.3807 13.3807 14.4521 14.4521 k = 0.3125 0.5000-0.0000 ( 5238 PWs) bands (ev): -61.6084 -61.6084 -33.6139 -33.6139 -32.6316 -32.6316 -32.6264 -32.6264 -7.4465 -7.4465 -7.1304 -7.1304 -6.9736 -6.9736 -6.7465 -6.7465 -6.5995 -6.5995 -4.5635 -4.5635 -4.5289 -4.5289 -4.4420 -4.4420 2.6117 2.6117 5.0814 5.0814 5.6842 5.6842 6.8079 6.8079 6.9536 6.9536 7.1085 7.1085 7.4590 7.4590 7.8365 7.8365 8.6643 8.6643 9.3005 9.3005 11.1123 11.1123 11.4386 11.4386 11.8036 11.8036 12.1271 12.1271 13.4085 13.4085 14.5168 14.5168 k = 0.3250 0.5000-0.0000 ( 5238 PWs) bands (ev): -61.6084 -61.6084 -33.6140 -33.6140 -32.6317 -32.6317 -32.6265 -32.6265 -7.4475 -7.4475 -7.1292 -7.1292 -6.9567 -6.9567 -6.7447 -6.7447 -6.6032 -6.6032 -4.5635 -4.5635 -4.5293 -4.5293 -4.4381 -4.4381 2.5959 2.5959 5.0686 5.0686 5.6454 5.6454 6.8219 6.8219 6.9693 6.9693 7.1243 7.1243 7.4099 7.4099 7.7924 7.7924 8.6179 8.6179 9.3282 9.3282 11.1533 11.1533 11.4419 11.4419 11.8226 11.8226 12.1419 12.1419 13.4319 13.4319 14.5784 14.5784 k = 0.3375 0.5000-0.0000 ( 5234 PWs) bands (ev): -61.6081 -61.6081 -33.6140 -33.6140 -32.6318 -32.6318 -32.6265 -32.6265 -7.4485 -7.4485 -7.1280 -7.1280 -6.9395 -6.9395 -6.7429 -6.7429 -6.6076 -6.6076 -4.5636 -4.5636 -4.5297 -4.5297 -4.4343 -4.4343 2.5807 2.5807 5.0544 5.0544 5.6114 5.6114 6.8365 6.8365 6.9858 6.9858 7.1394 7.1394 7.3643 7.3643 7.7496 7.7496 8.5703 8.5703 9.3562 9.3562 11.1933 11.1933 11.4440 11.4440 11.8405 11.8405 12.1565 12.1565 13.4511 13.4511 14.6404 14.6404 k = 0.3500 0.5000-0.0000 ( 5240 PWs) bands (ev): -61.6085 -61.6085 -33.6142 -33.6142 -32.6320 -32.6320 -32.6266 -32.6266 -7.4496 -7.4496 -7.1270 -7.1270 -6.9221 -6.9221 -6.7410 -6.7410 -6.6127 -6.6127 -4.5638 -4.5638 -4.5301 -4.5301 -4.4306 -4.4306 2.5663 2.5663 5.0385 5.0385 5.5808 5.5808 6.8514 6.8514 7.0031 7.0031 7.1535 7.1535 7.3225 7.3225 7.7076 7.7076 8.5223 8.5223 9.3835 9.3835 11.2302 11.2302 11.4450 11.4450 11.8572 11.8572 12.1675 12.1675 13.4665 13.4665 14.6962 14.6962 k = 0.3625 0.5000-0.0000 ( 5232 PWs) bands (ev): -61.6080 -61.6080 -33.6142 -33.6142 -32.6320 -32.6320 -32.6266 -32.6266 -7.4507 -7.4507 -7.1260 -7.1260 -6.9047 -6.9047 -6.7391 -6.7391 -6.6184 -6.6184 -4.5639 -4.5639 -4.5304 -4.5304 -4.4271 -4.4271 2.5527 2.5527 5.0219 5.0219 5.5549 5.5549 6.8663 6.8663 7.0214 7.0214 7.1669 7.1669 7.2849 7.2849 7.6671 7.6671 8.4753 8.4753 9.4097 9.4097 11.2669 11.2669 11.4476 11.4476 11.8742 11.8742 12.1801 12.1801 13.4785 13.4785 14.7518 14.7518 k = 0.3750 0.5000-0.0000 ( 5236 PWs) bands (ev): -61.6083 -61.6083 -33.6143 -33.6143 -32.6321 -32.6321 -32.6267 -32.6267 -7.4519 -7.4519 -7.1252 -7.1252 -6.8873 -6.8873 -6.7372 -6.7372 -6.6249 -6.6249 -4.5641 -4.5641 -4.5308 -4.5308 -4.4237 -4.4237 2.5401 2.5401 5.0042 5.0042 5.5326 5.5326 6.8808 6.8808 7.0402 7.0402 7.1786 7.1786 7.2522 7.2522 7.6270 7.6270 8.4291 8.4291 9.4344 9.4344 11.2974 11.2974 11.4486 11.4486 11.8891 11.8891 12.1898 12.1898 13.4876 13.4876 14.8029 14.8029 k = 0.3875 0.5000-0.0000 ( 5238 PWs) bands (ev): -61.6084 -61.6084 -33.6144 -33.6144 -32.6323 -32.6323 -32.6267 -32.6267 -7.4530 -7.4530 -7.1244 -7.1244 -6.8700 -6.8700 -6.7354 -6.7354 -6.6320 -6.6320 -4.5644 -4.5644 -4.5311 -4.5311 -4.4206 -4.4206 2.5285 2.5285 4.9863 4.9863 5.5136 5.5136 6.8942 6.8942 7.0600 7.0600 7.1869 7.1869 7.2265 7.2265 7.5882 7.5882 8.3848 8.3848 9.4573 9.4573 11.3263 11.3263 11.4506 11.4506 11.9034 11.9034 12.1981 12.1981 13.4943 13.4943 14.8492 14.8492 k = 0.4000 0.5000-0.0000 ( 5240 PWs) bands (ev): -61.6086 -61.6086 -33.6144 -33.6144 -32.6324 -32.6324 -32.6268 -32.6268 -7.4540 -7.4540 -7.1237 -7.1237 -6.8528 -6.8528 -6.7337 -6.7337 -6.6399 -6.6399 -4.5646 -4.5646 -4.5314 -4.5314 -4.4178 -4.4178 2.5178 2.5178 4.9688 4.9688 5.4983 5.4983 6.9061 6.9061 7.0807 7.0807 7.1838 7.1838 7.2161 7.2161 7.5508 7.5508 8.3425 8.3425 9.4782 9.4782 11.3535 11.3535 11.4523 11.4523 11.9143 11.9143 12.2050 12.2050 13.4990 13.4990 14.8926 14.8926 k = 0.4125 0.5000-0.0000 ( 5240 PWs) bands (ev): -61.6086 -61.6086 -33.6145 -33.6145 -32.6325 -32.6325 -32.6268 -32.6268 -7.4550 -7.4550 -7.1230 -7.1230 -6.8359 -6.8359 -6.7321 -6.7321 -6.6485 -6.6485 -4.5648 -4.5648 -4.5317 -4.5317 -4.4152 -4.4152 2.5083 2.5083 4.9519 4.9519 5.4858 5.4858 6.9158 6.9158 7.1021 7.1021 7.1701 7.1701 7.2204 7.2204 7.5143 7.5143 8.3034 8.3034 9.4969 9.4969 11.3770 11.3770 11.4542 11.4542 11.9256 11.9256 12.2115 12.2115 13.5021 13.5021 14.9318 14.9318 k = 0.4250 0.5000-0.0000 ( 5238 PWs) bands (ev): -61.6084 -61.6084 -33.6145 -33.6145 -32.6326 -32.6326 -32.6268 -32.6268 -7.4559 -7.4559 -7.1225 -7.1225 -6.8192 -6.8192 -6.7307 -6.7307 -6.6578 -6.6578 -4.5650 -4.5650 -4.5319 -4.5319 -4.4129 -4.4129 2.5000 2.5000 4.9363 4.9363 5.4765 5.4765 6.9229 6.9229 7.1242 7.1242 7.1575 7.1575 7.2275 7.2275 7.4789 7.4789 8.2678 8.2678 9.5133 9.5133 11.3964 11.3964 11.4562 11.4562 11.9352 11.9353 12.2180 12.2180 13.5039 13.5039 14.9683 14.9683 k = 0.4375 0.5000-0.0000 ( 5246 PWs) bands (ev): -61.6090 -61.6090 -33.6146 -33.6146 -32.6328 -32.6328 -32.6269 -32.6269 -7.4567 -7.4567 -7.1220 -7.1220 -6.8029 -6.8029 -6.7295 -6.7295 -6.6677 -6.6677 -4.5652 -4.5652 -4.5321 -4.5321 -4.4109 -4.4109 2.4929 2.4929 4.9223 4.9223 5.4676 5.4676 6.9274 6.9274 7.1455 7.1455 7.1503 7.1503 7.2344 7.2344 7.4447 7.4447 8.2362 8.2362 9.5273 9.5273 11.4121 11.4121 11.4584 11.4584 11.9430 11.9430 12.2210 12.2210 13.5049 13.5049 14.9941 14.9941 k = 0.4500 0.5000-0.0000 ( 5246 PWs) bands (ev): -61.6091 -61.6091 -33.6147 -33.6147 -32.6328 -32.6328 -32.6269 -32.6269 -7.4574 -7.4574 -7.1217 -7.1217 -6.7871 -6.7871 -6.7284 -6.7284 -6.6784 -6.6784 -4.5654 -4.5654 -4.5323 -4.5323 -4.4093 -4.4093 2.4870 2.4870 4.9104 4.9104 5.4615 5.4615 6.9296 6.9296 7.1433 7.1433 7.1710 7.1710 7.2404 7.2404 7.4120 7.4120 8.2095 8.2095 9.5389 9.5389 11.4245 11.4245 11.4612 11.4612 11.9505 11.9505 12.2249 12.2249 13.5053 13.5053 15.0183 15.0183 k = 0.4625 0.5000-0.0000 ( 5242 PWs) bands (ev): -61.6088 -61.6088 -33.6146 -33.6146 -32.6328 -32.6328 -32.6269 -32.6269 -7.4579 -7.4579 -7.1214 -7.1214 -6.7716 -6.7716 -6.7276 -6.7276 -6.6897 -6.6897 -4.5655 -4.5655 -4.5324 -4.5324 -4.4080 -4.4080 2.4825 2.4825 4.9008 4.9008 5.4569 5.4569 6.9301 6.9301 7.1412 7.1412 7.1949 7.1949 7.2453 7.2453 7.3808 7.3808 8.1887 8.1887 9.5479 9.5479 11.4334 11.4334 11.4645 11.4645 11.9584 11.9584 12.2288 12.2288 13.5054 13.5054 15.0372 15.0372 k = 0.4750 0.5000-0.0000 ( 5240 PWs) bands (ev): -61.6086 -61.6086 -33.6146 -33.6146 -32.6328 -32.6328 -32.6269 -32.6269 -7.4583 -7.4583 -7.1212 -7.1212 -6.7568 -6.7568 -6.7270 -6.7270 -6.7016 -6.7016 -4.5656 -4.5656 -4.5325 -4.5325 -4.4071 -4.4071 2.4791 2.4791 4.8938 4.8938 5.4547 5.4547 6.9297 6.9297 7.1406 7.1406 7.2184 7.2184 7.2491 7.2491 7.3519 7.3519 8.1726 8.1726 9.5544 9.5544 11.4389 11.4389 11.4678 11.4678 11.9609 11.9609 12.2314 12.2314 13.5053 13.5053 15.0538 15.0538 k = 0.4875 0.5000-0.0000 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6147 -33.6147 -32.6329 -32.6329 -32.6269 -32.6269 -7.4585 -7.4585 -7.1210 -7.1210 -6.7427 -6.7427 -6.7266 -6.7266 -6.7138 -6.7138 -4.5657 -4.5657 -4.5326 -4.5326 -4.4066 -4.4066 2.4771 2.4771 4.8895 4.8895 5.4525 5.4525 6.9292 6.9292 7.1408 7.1408 7.2378 7.2378 7.2528 7.2528 7.3273 7.3273 8.1626 8.1626 9.5583 9.5583 11.4409 11.4409 11.4694 11.4694 11.9613 11.9613 12.2315 12.2315 13.5052 13.5052 15.0601 15.0602 k = 0.5000 0.5000-0.0000 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6147 -33.6147 -32.6330 -32.6330 -32.6269 -32.6269 -7.4586 -7.4586 -7.1210 -7.1210 -6.7328 -6.7328 -6.7268 -6.7268 -6.7229 -6.7229 -4.5657 -4.5657 -4.5326 -4.5326 -4.4064 -4.4064 2.4765 2.4765 4.8881 4.8881 5.4519 5.4519 6.9289 6.9289 7.1409 7.1409 7.2449 7.2449 7.2570 7.2570 7.3157 7.3157 8.1594 8.1594 9.5596 9.5596 11.4418 11.4418 11.4703 11.4703 11.9621 11.9621 12.2319 12.2319 13.5051 13.5051 15.0629 15.0629 k = 0.5000 0.5000-0.0000 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6147 -33.6147 -32.6330 -32.6330 -32.6269 -32.6269 -7.4586 -7.4586 -7.1210 -7.1210 -6.7328 -6.7328 -6.7268 -6.7268 -6.7229 -6.7229 -4.5657 -4.5657 -4.5326 -4.5326 -4.4064 -4.4064 2.4765 2.4765 4.8881 4.8881 5.4519 5.4519 6.9289 6.9289 7.1409 7.1409 7.2449 7.2449 7.2570 7.2570 7.3157 7.3157 8.1594 8.1594 9.5596 9.5596 11.4418 11.4418 11.4703 11.4703 11.9621 11.9621 12.2319 12.2319 13.5051 13.5051 15.0629 15.0629 k = 0.4911 0.4911-0.0000 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6147 -33.6147 -32.6329 -32.6329 -32.6269 -32.6269 -7.4585 -7.4585 -7.1210 -7.1210 -6.7429 -6.7429 -6.7265 -6.7265 -6.7137 -6.7137 -4.5657 -4.5657 -4.5326 -4.5326 -4.4066 -4.4066 2.4771 2.4771 4.8895 4.8895 5.4525 5.4525 6.9292 6.9292 7.1407 7.1407 7.2369 7.2369 7.2538 7.2538 7.3273 7.3273 8.1627 8.1627 9.5583 9.5583 11.4409 11.4409 11.4694 11.4694 11.9612 11.9612 12.2315 12.2315 13.5052 13.5052 15.0601 15.0601 k = 0.4821 0.4821-0.0000 ( 5244 PWs) bands (ev): -61.6089 -61.6089 -33.6147 -33.6147 -32.6328 -32.6328 -32.6269 -32.6269 -7.4583 -7.4583 -7.1212 -7.1212 -6.7573 -6.7573 -6.7266 -6.7266 -6.7015 -6.7015 -4.5656 -4.5656 -4.5325 -4.5325 -4.4071 -4.4071 2.4792 2.4792 4.8940 4.8940 5.4544 5.4544 6.9299 6.9299 7.1404 7.1404 7.2139 7.2139 7.2542 7.2542 7.3509 7.3509 8.1729 8.1729 9.5543 9.5543 11.4383 11.4383 11.4668 11.4668 11.9608 11.9608 12.2311 12.2311 13.5053 13.5053 15.0519 15.0519 k = 0.4732 0.4732-0.0000 ( 5244 PWs) bands (ev): -61.6089 -61.6089 -33.6147 -33.6147 -32.6328 -32.6328 -32.6269 -32.6269 -7.4579 -7.4579 -7.1214 -7.1214 -6.7726 -6.7726 -6.7267 -6.7267 -6.6896 -6.6896 -4.5655 -4.5655 -4.5324 -4.5324 -4.4081 -4.4081 2.4825 2.4825 4.9012 4.9012 5.4572 5.4572 6.9311 6.9311 7.1400 7.1400 7.1862 7.1862 7.2574 7.2574 7.3777 7.3777 8.1887 8.1887 9.5477 9.5477 11.4351 11.4351 11.4637 11.4637 11.9550 11.9550 12.2276 12.2276 13.5055 13.5055 15.0383 15.0383 k = 0.4643 0.4643-0.0000 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6147 -33.6147 -32.6329 -32.6329 -32.6269 -32.6269 -7.4574 -7.4574 -7.1217 -7.1217 -6.7887 -6.7887 -6.7269 -6.7269 -6.6784 -6.6784 -4.5654 -4.5654 -4.5323 -4.5323 -4.4094 -4.4094 2.4873 2.4873 4.9115 4.9115 5.4607 5.4607 6.9326 6.9326 7.1397 7.1397 7.1568 7.1568 7.2617 7.2617 7.4054 7.4054 8.2108 8.2108 9.5385 9.5385 11.4288 11.4288 11.4575 11.4575 11.9487 11.9487 12.2237 12.2237 13.5056 13.5056 15.0171 15.0171 k = 0.4554 0.4554-0.0000 ( 5250 PWs) bands (ev): -61.6093 -61.6093 -33.6147 -33.6147 -32.6329 -32.6329 -32.6269 -32.6269 -7.4568 -7.4568 -7.1221 -7.1221 -6.8055 -6.8055 -6.7271 -6.7271 -6.6679 -6.6679 -4.5652 -4.5652 -4.5321 -4.5321 -4.4110 -4.4110 2.4933 2.4933 4.9246 4.9246 5.4658 5.4658 6.9344 6.9344 7.1263 7.1263 7.1402 7.1402 7.2673 7.2673 7.4333 7.4333 8.2385 8.2385 9.5269 9.5269 11.4209 11.4209 11.4498 11.4498 11.9405 11.9405 12.2194 12.2194 13.5055 13.5055 14.9917 14.9917 k = 0.4464 0.4464-0.0000 ( 5240 PWs) bands (ev): -61.6086 -61.6086 -33.6145 -33.6145 -32.6326 -32.6326 -32.6268 -32.6268 -7.4561 -7.4561 -7.1226 -7.1226 -6.8228 -6.8228 -6.7274 -6.7274 -6.6579 -6.6579 -4.5650 -4.5650 -4.5319 -4.5319 -4.4130 -4.4130 2.5008 2.5008 4.9407 4.9407 5.4725 5.4725 6.9363 6.9363 7.0958 7.0958 7.1413 7.1413 7.2743 7.2743 7.4614 7.4614 8.2721 8.2721 9.5128 9.5128 11.4119 11.4119 11.4410 11.4410 11.9348 11.9348 12.2165 12.2165 13.5052 13.5052 14.9635 14.9635 k = 0.4375 0.4375-0.0000 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6146 -33.6146 -32.6327 -32.6327 -32.6268 -32.6268 -7.4554 -7.4554 -7.1233 -7.1233 -6.8408 -6.8408 -6.7276 -6.7276 -6.6486 -6.6486 -4.5647 -4.5647 -4.5317 -4.5317 -4.4152 -4.4152 2.5094 2.5094 4.9597 4.9597 5.4794 5.4794 6.9381 6.9381 7.0649 7.0649 7.1435 7.1435 7.2825 7.2825 7.4892 7.4892 8.3092 8.3092 9.4964 9.4964 11.3994 11.3994 11.4295 11.4295 11.9218 11.9218 12.2101 12.2101 13.5046 13.5046 14.9269 14.9269 k = 0.4286 0.4286-0.0000 ( 5232 PWs) bands (ev): -61.6080 -61.6080 -33.6143 -33.6143 -32.6323 -32.6323 -32.6266 -32.6266 -7.4548 -7.4548 -7.1240 -7.1240 -6.8592 -6.8592 -6.7278 -6.7278 -6.6399 -6.6399 -4.5644 -4.5644 -4.5314 -4.5314 -4.4178 -4.4178 2.5194 2.5194 4.9818 4.9818 5.4896 5.4896 6.9392 6.9392 7.0349 7.0349 7.1473 7.1473 7.2921 7.2921 7.5177 7.5177 8.3506 8.3506 9.4778 9.4778 11.3889 11.3889 11.4188 11.4188 11.9092 11.9092 12.2059 12.2059 13.5034 13.5034 14.8934 14.8934 k = 0.4196 0.4196-0.0000 ( 5238 PWs) bands (ev): -61.6084 -61.6084 -33.6143 -33.6143 -32.6323 -32.6323 -32.6267 -32.6267 -7.4542 -7.4542 -7.1250 -7.1250 -6.8781 -6.8781 -6.7280 -6.7280 -6.6318 -6.6318 -4.5641 -4.5641 -4.5311 -4.5311 -4.4205 -4.4205 2.5307 2.5307 5.0065 5.0065 5.4988 5.4988 6.9382 6.9382 7.0064 7.0064 7.1528 7.1528 7.3027 7.3027 7.5452 7.5452 8.3954 8.3954 9.4571 9.4571 11.3717 11.3717 11.4035 11.4035 11.8945 11.8945 12.1993 12.1993 13.5016 13.5016 14.8481 14.8481 k = 0.4107 0.4107-0.0000 ( 5242 PWs) bands (ev): -61.6087 -61.6087 -33.6143 -33.6143 -32.6322 -32.6322 -32.6267 -32.6267 -7.4538 -7.4538 -7.1261 -7.1261 -6.8973 -6.8973 -6.7281 -6.7281 -6.6243 -6.6243 -4.5638 -4.5638 -4.5308 -4.5308 -4.4235 -4.4235 2.5432 2.5432 5.0341 5.0341 5.5094 5.5094 6.9308 6.9308 6.9845 6.9845 7.1602 7.1602 7.3146 7.3146 7.5729 7.5729 8.4425 8.4425 9.4345 9.4345 11.3546 11.3546 11.3880 11.3880 11.8752 11.8752 12.1912 12.1912 13.4991 13.4991 14.8001 14.8001 k = 0.4018 0.4018-0.0000 ( 5242 PWs) bands (ev): -61.6087 -61.6087 -33.6143 -33.6143 -32.6321 -32.6321 -32.6267 -32.6267 -7.4536 -7.4536 -7.1273 -7.1273 -6.9167 -6.9167 -6.7282 -6.7282 -6.6173 -6.6173 -4.5634 -4.5634 -4.5304 -4.5304 -4.4267 -4.4267 2.5570 2.5570 5.0646 5.0646 5.5208 5.5208 6.9115 6.9115 6.9746 6.9746 7.1696 7.1696 7.3278 7.3278 7.6006 7.6006 8.4921 8.4921 9.4100 9.4100 11.3351 11.3351 11.3711 11.3711 11.8565 11.8565 12.1840 12.1840 13.4960 13.4960 14.7481 14.7481 k = 0.3929 0.3929-0.0000 ( 5254 PWs) bands (ev): -61.6096 -61.6096 -33.6143 -33.6143 -32.6321 -32.6321 -32.6268 -32.6268 -7.4538 -7.4538 -7.1289 -7.1289 -6.9362 -6.9362 -6.7281 -6.7281 -6.6109 -6.6109 -4.5631 -4.5631 -4.5300 -4.5300 -4.4301 -4.4301 2.5720 2.5720 5.0976 5.0976 5.5326 5.5326 6.8834 6.8834 6.9736 6.9736 7.1810 7.1810 7.3419 7.3419 7.6280 7.6280 8.5429 8.5429 9.3840 9.3840 11.3121 11.3121 11.3514 11.3514 11.8344 11.8344 12.1738 12.1738 13.4921 13.4921 14.6899 14.6899 k = 0.3839 0.3839-0.0000 ( 5249 PWs) bands (ev): -61.6093 -61.6093 -33.6142 -33.6142 -32.6319 -32.6319 -32.6267 -32.6267 -7.4545 -7.4545 -7.1307 -7.1307 -6.9556 -6.9556 -6.7279 -6.7279 -6.6050 -6.6050 -4.5627 -4.5627 -4.5295 -4.5295 -4.4335 -4.4335 2.5883 2.5883 5.1335 5.1335 5.5459 5.5459 6.8521 6.8521 6.9768 6.9768 7.1945 7.1945 7.3578 7.3578 7.6559 7.6559 8.5949 8.5949 9.3565 9.3565 11.2907 11.2907 11.3333 11.3333 11.8122 11.8122 12.1649 12.1649 13.4877 13.4877 14.6310 14.6310 k = 0.3750 0.3750-0.0000 ( 5249 PWs) bands (ev): -61.6092 -61.6092 -33.6141 -33.6141 -32.6317 -32.6317 -32.6267 -32.6267 -7.4557 -7.4557 -7.1328 -7.1328 -6.9749 -6.9749 -6.7275 -6.7275 -6.5996 -6.5996 -4.5623 -4.5623 -4.5290 -4.5290 -4.4370 -4.4370 2.6058 2.6058 5.1721 5.1721 5.5598 5.5598 6.8193 6.8193 6.9820 6.9820 7.2101 7.2101 7.3746 7.3746 7.6838 7.6838 8.6469 8.6469 9.3277 9.3277 11.2671 11.2671 11.3125 11.3125 11.7872 11.7872 12.1553 12.1553 13.4829 13.4829 14.5677 14.5677 k = 0.3661 0.3661-0.0000 ( 5253 PWs) bands (ev): -61.6095 -61.6095 -33.6140 -33.6140 -32.6316 -32.6316 -32.6267 -32.6267 -7.4576 -7.4576 -7.1352 -7.1352 -6.9937 -6.9937 -6.7269 -6.7269 -6.5946 -6.5946 -4.5619 -4.5619 -4.5285 -4.5285 -4.4405 -4.4405 2.6245 2.6245 5.2130 5.2130 5.5745 5.5745 6.7856 6.7856 6.9887 6.9887 7.2276 7.2276 7.3925 7.3925 7.7115 7.7115 8.6982 8.6982 9.2977 9.2977 11.2398 11.2398 11.2900 11.2900 11.7587 11.7587 12.1456 12.1456 13.4782 13.4782 14.5020 14.5020 k = 0.3571 0.3571-0.0000 ( 5235 PWs) bands (ev): -61.6082 -61.6082 -33.6137 -33.6137 -32.6312 -32.6312 -32.6264 -32.6264 -7.4603 -7.4603 -7.1382 -7.1382 -7.0118 -7.0118 -6.7261 -6.7261 -6.5901 -6.5901 -4.5614 -4.5614 -4.5279 -4.5279 -4.4441 -4.4441 2.6445 2.6445 5.2569 5.2569 5.5902 5.5902 6.7519 6.7519 6.9971 6.9971 7.2472 7.2472 7.4119 7.4119 7.7401 7.7401 8.7490 8.7490 9.2669 9.2669 11.2164 11.2164 11.2675 11.2675 11.7321 11.7321 12.1391 12.1391 13.4739 13.4739 14.4361 14.4361 k = 0.3482 0.3482-0.0000 ( 5231 PWs) bands (ev): -61.6079 -61.6079 -33.6136 -33.6136 -32.6310 -32.6310 -32.6263 -32.6263 -7.4640 -7.4640 -7.1416 -7.1416 -7.0291 -7.0291 -6.7250 -6.7250 -6.5860 -6.5860 -4.5610 -4.5610 -4.5273 -4.5273 -4.4476 -4.4476 2.6657 2.6657 5.3027 5.3027 5.6056 5.6056 6.7180 6.7180 7.0068 7.0068 7.2685 7.2685 7.4322 7.4322 7.7686 7.7686 8.7974 8.7974 9.2353 9.2353 11.1902 11.1902 11.2429 11.2429 11.7011 11.7011 12.1293 12.1293 13.4705 13.4705 14.3630 14.3630 k = 0.3393 0.3393-0.0000 ( 5225 PWs) bands (ev): -61.6075 -61.6075 -33.6134 -33.6134 -32.6307 -32.6307 -32.6262 -32.6262 -7.4688 -7.4688 -7.1457 -7.1457 -7.0452 -7.0452 -6.7237 -6.7237 -6.5823 -6.5823 -4.5605 -4.5605 -4.5267 -4.5267 -4.4510 -4.4510 2.6881 2.6881 5.3504 5.3504 5.6214 5.6214 6.6839 6.6839 7.0183 7.0183 7.2917 7.2917 7.4536 7.4536 7.7970 7.7970 8.8435 8.8435 9.2031 9.2031 11.1618 11.1618 11.2170 11.2170 11.6706 11.6706 12.1189 12.1189 13.4686 13.4686 14.2881 14.2881 k = 0.3304 0.3304-0.0000 ( 5217 PWs) bands (ev): -61.6069 -61.6069 -33.6132 -33.6132 -32.6304 -32.6304 -32.6260 -32.6260 -7.4750 -7.4750 -7.1505 -7.1505 -7.0599 -7.0599 -6.7221 -6.7221 -6.5790 -6.5790 -4.5601 -4.5601 -4.5261 -4.5261 -4.4544 -4.4544 2.7118 2.7118 5.4002 5.4002 5.6371 5.6371 6.6499 6.6499 7.0313 7.0313 7.3167 7.3167 7.4763 7.4763 7.8260 7.8260 8.8864 8.8864 9.1706 9.1706 11.1343 11.1343 11.1902 11.1902 11.6377 11.6377 12.1084 12.1084 13.4689 13.4689 14.2091 14.2091 k = 0.3214 0.3214-0.0000 ( 5217 PWs) bands (ev): -61.6069 -61.6069 -33.6131 -33.6131 -32.6302 -32.6302 -32.6259 -32.6259 -7.4825 -7.4825 -7.1560 -7.1560 -7.0731 -7.0731 -6.7201 -6.7201 -6.5761 -6.5761 -4.5595 -4.5595 -4.5254 -4.5254 -4.4576 -4.4576 2.7367 2.7367 5.4515 5.4515 5.6531 5.6531 6.6158 6.6158 7.0457 7.0457 7.3433 7.3433 7.4999 7.4999 7.8547 7.8547 8.9252 8.9252 9.1378 9.1378 11.1029 11.1029 11.1617 11.1617 11.6007 11.6007 12.0965 12.0965 13.4722 13.4722 14.1280 14.1280 k = 0.3125 0.3125-0.0000 ( 5221 PWs) bands (ev): -61.6072 -61.6072 -33.6130 -33.6130 -32.6301 -32.6301 -32.6259 -32.6259 -7.4916 -7.4916 -7.1621 -7.1621 -7.0846 -7.0846 -6.7178 -6.7178 -6.5736 -6.5736 -4.5590 -4.5590 -4.5246 -4.5246 -4.4607 -4.4607 2.7629 2.7629 5.5041 5.5041 5.6686 5.6686 6.5819 6.5819 7.0617 7.0617 7.3715 7.3715 7.5246 7.5246 7.8838 7.8838 8.9597 8.9597 9.1049 9.1049 11.0710 11.0710 11.1319 11.1319 11.5609 11.5609 12.0838 12.0838 13.4790 13.4790 14.0423 14.0423 k = 0.3036 0.3036-0.0000 ( 5229 PWs) bands (ev): -61.6078 -61.6078 -33.6130 -33.6130 -32.6300 -32.6300 -32.6259 -32.6259 -7.5023 -7.5023 -7.1687 -7.1687 -7.0945 -7.0945 -6.7152 -6.7152 -6.5713 -6.5713 -4.5584 -4.5584 -4.5239 -4.5239 -4.4637 -4.4637 2.7903 2.7903 5.5577 5.5577 5.6844 5.6844 6.5480 6.5480 7.0793 7.0793 7.4013 7.4013 7.5503 7.5503 7.9127 7.9127 8.9890 8.9890 9.0722 9.0722 11.0358 11.0358 11.1007 11.1007 11.5178 11.5178 12.0706 12.0706 13.4902 13.4902 13.9562 13.9562 k = 0.2946 0.2946-0.0000 ( 5221 PWs) bands (ev): -61.6072 -61.6072 -33.6128 -33.6128 -32.6296 -32.6296 -32.6258 -32.6258 -7.5146 -7.5146 -7.1754 -7.1754 -7.1031 -7.1031 -6.7122 -6.7122 -6.5694 -6.5694 -4.5577 -4.5577 -4.5231 -4.5231 -4.4664 -4.4664 2.8190 2.8190 5.6120 5.6120 5.7008 5.7008 6.5147 6.5147 7.0991 7.0991 7.4331 7.4331 7.5771 7.5771 7.9423 7.9423 9.0134 9.0134 9.0397 9.0397 11.0036 11.0036 11.0690 11.0690 11.4762 11.4762 12.0580 12.0580 13.5063 13.5063 13.8712 13.8712 k = 0.2857 0.2857-0.0000 ( 5229 PWs) bands (ev): -61.6079 -61.6079 -33.6128 -33.6128 -32.6295 -32.6295 -32.6258 -32.6258 -7.5284 -7.5284 -7.1822 -7.1822 -7.1105 -7.1105 -6.7089 -6.7089 -6.5678 -6.5678 -4.5569 -4.5569 -4.5223 -4.5223 -4.4690 -4.4690 2.8490 2.8490 5.6661 5.6661 5.7169 5.7169 6.4816 6.4816 7.1207 7.1207 7.4662 7.4662 7.6041 7.6041 7.9718 7.9718 9.0077 9.0077 9.0320 9.0320 10.9681 10.9681 11.0329 11.0329 11.4310 11.4310 12.0436 12.0436 13.5280 13.5280 13.7816 13.7816 k = 0.2768 0.2768-0.0000 ( 5221 PWs) bands (ev): -61.6073 -61.6073 -33.6126 -33.6126 -32.6292 -32.6292 -32.6257 -32.6257 -7.5437 -7.5437 -7.1886 -7.1886 -7.1171 -7.1171 -6.7052 -6.7052 -6.5664 -6.5664 -4.5561 -4.5561 -4.5215 -4.5215 -4.4714 -4.4714 2.8804 2.8804 5.7160 5.7160 5.7375 5.7375 6.4491 6.4491 7.1445 7.1445 7.5012 7.5012 7.6330 7.6330 8.0019 8.0019 8.9762 8.9762 9.0451 9.0451 10.9339 10.9339 10.9993 10.9993 11.3860 11.3860 12.0296 12.0296 13.5555 13.5555 13.6939 13.6939 k = 0.2679 0.2679-0.0000 ( 5229 PWs) bands (ev): -61.6079 -61.6079 -33.6125 -33.6125 -32.6290 -32.6290 -32.6257 -32.6257 -7.5604 -7.5604 -7.1945 -7.1945 -7.1231 -7.1231 -6.7012 -6.7012 -6.5653 -6.5653 -4.5552 -4.5552 -4.5207 -4.5207 -4.4736 -4.4736 2.9130 2.9130 5.7414 5.7414 5.7806 5.7806 6.4169 6.4169 7.1703 7.1703 7.5374 7.5374 7.6624 7.6624 8.0319 8.0319 8.9454 8.9454 9.0522 9.0522 10.8963 10.8963 10.9635 10.9635 11.3390 11.3390 12.0112 12.0112 13.5887 13.5887 13.6016 13.6016 k = 0.2589 0.2589-0.0000 ( 5237 PWs) bands (ev): -61.6085 -61.6085 -33.6125 -33.6125 -32.6289 -32.6289 -32.6258 -32.6258 -7.5783 -7.5783 -7.1998 -7.1998 -7.1287 -7.1287 -6.6968 -6.6968 -6.5644 -6.5644 -4.5541 -4.5541 -4.5198 -4.5198 -4.4756 -4.4756 2.9469 2.9469 5.7562 5.7562 5.8327 5.8327 6.3852 6.3852 7.1985 7.1985 7.5751 7.5751 7.6929 7.6929 8.0618 8.0618 8.9153 8.9153 9.0537 9.0537 10.8563 10.8563 10.9275 10.9275 11.2901 11.2901 11.9942 11.9942 13.5069 13.5069 13.6295 13.6295 k = 0.2500 0.2500-0.0000 ( 5235 PWs) bands (ev): -61.6084 -61.6084 -33.6123 -33.6123 -32.6286 -32.6286 -32.6257 -32.6257 -7.5972 -7.5972 -7.2045 -7.2045 -7.1340 -7.1340 -6.6921 -6.6921 -6.5637 -6.5637 -4.5529 -4.5529 -4.5189 -4.5189 -4.4775 -4.4775 2.9822 2.9822 5.7696 5.7696 5.8845 5.8845 6.3544 6.3544 7.2293 7.2293 7.6144 7.6144 7.7242 7.7242 8.0924 8.0924 8.8863 8.8863 9.0498 9.0498 10.8194 10.8194 10.8908 10.8908 11.2423 11.2423 11.9764 11.9764 13.4129 13.4129 13.6759 13.6759 k = 0.2411 0.2411-0.0000 ( 5239 PWs) bands (ev): -61.6087 -61.6087 -33.6123 -33.6123 -32.6285 -32.6285 -32.6257 -32.6257 -7.6169 -7.6169 -7.2087 -7.2087 -7.1392 -7.1392 -6.6872 -6.6872 -6.5633 -6.5633 -4.5516 -4.5516 -4.5180 -4.5180 -4.4791 -4.4791 3.0188 3.0188 5.7820 5.7820 5.9343 5.9343 6.3243 6.3243 7.2624 7.2624 7.6552 7.6552 7.7563 7.7563 8.1230 8.1230 8.8582 8.8582 9.0408 9.0408 10.7808 10.7808 10.8531 10.8531 11.1908 11.1908 11.9572 11.9572 13.3180 13.3180 13.7285 13.7285 k = 0.2321 0.2321-0.0000 ( 5233 PWs) bands (ev): -61.6082 -61.6082 -33.6121 -33.6121 -32.6281 -32.6281 -32.6255 -32.6255 -7.6373 -7.6373 -7.2122 -7.2122 -7.1443 -7.1443 -6.6820 -6.6820 -6.5630 -6.5630 -4.5501 -4.5501 -4.5171 -4.5171 -4.4806 -4.4806 3.0566 3.0566 5.7937 5.7937 5.9817 5.9817 6.2951 6.2951 7.2984 7.2984 7.6976 7.6976 7.7893 7.7893 8.1541 8.1541 8.8312 8.8312 9.0272 9.0272 10.7431 10.7431 10.8156 10.8156 11.1406 11.1406 11.9377 11.9377 13.2254 13.2254 13.7869 13.7869 k = 0.2232 0.2232-0.0000 ( 5233 PWs) bands (ev): -61.6082 -61.6082 -33.6119 -33.6119 -32.6279 -32.6279 -32.6255 -32.6255 -7.6580 -7.6580 -7.2153 -7.2153 -7.1494 -7.1494 -6.6766 -6.6766 -6.5629 -6.5629 -4.5485 -4.5485 -4.5162 -4.5162 -4.4819 -4.4819 3.0958 3.0958 5.8040 5.8040 6.0256 6.0256 6.2669 6.2669 7.3374 7.3374 7.7412 7.7412 7.8228 7.8228 8.1852 8.1852 8.8054 8.8054 9.0097 9.0097 10.7044 10.7044 10.7766 10.7766 11.0898 11.0898 11.9166 11.9166 13.1297 13.1297 13.8507 13.8507 k = 0.2143 0.2143-0.0000 ( 5231 PWs) bands (ev): -61.6081 -61.6081 -33.6118 -33.6118 -32.6277 -32.6277 -32.6253 -32.6253 -7.6790 -7.6790 -7.2180 -7.2180 -7.1544 -7.1544 -6.6710 -6.6710 -6.5629 -6.5629 -4.5467 -4.5467 -4.5153 -4.5153 -4.4831 -4.4831 3.1362 3.1362 5.8131 5.8131 6.0655 6.0655 6.2401 6.2401 7.3792 7.3792 7.7861 7.7861 7.8573 7.8573 8.2166 8.2166 8.7807 8.7807 8.9889 8.9889 10.6664 10.6664 10.7383 10.7383 11.0378 11.0378 11.8949 11.8949 13.0329 13.0329 13.9194 13.9194 k = 0.2054 0.2054-0.0000 ( 5231 PWs) bands (ev): -61.6081 -61.6081 -33.6117 -33.6117 -32.6275 -32.6275 -32.6253 -32.6253 -7.7001 -7.7001 -7.2203 -7.2203 -7.1594 -7.1594 -6.6653 -6.6653 -6.5630 -6.5630 -4.5448 -4.5448 -4.5144 -4.5144 -4.4841 -4.4841 3.1778 3.1778 5.8212 5.8212 6.0997 6.0997 6.2154 6.2154 7.4243 7.4243 7.8322 7.8322 7.8921 7.8921 8.2480 8.2480 8.7574 8.7574 8.9654 8.9654 10.6276 10.6276 10.6982 10.6982 10.9863 10.9863 11.8716 11.8716 12.9363 12.9363 13.9922 13.9922 k = 0.1964 0.1964-0.0000 ( 5239 PWs) bands (ev): -61.6088 -61.6088 -33.6116 -33.6116 -32.6273 -32.6273 -32.6253 -32.6253 -7.7211 -7.7211 -7.2223 -7.2223 -7.1644 -7.1644 -6.6594 -6.6594 -6.5633 -6.5633 -4.5427 -4.5427 -4.5135 -4.5135 -4.4850 -4.4850 3.2206 3.2206 5.8280 5.8280 6.1254 6.1254 6.1952 6.1952 7.4724 7.4724 7.8792 7.8792 7.9267 7.9267 8.2795 8.2795 8.7354 8.7354 8.9401 8.9401 10.5887 10.5887 10.6551 10.6551 10.9342 10.9342 11.8454 11.8454 12.8384 12.8384 14.0686 14.0686 k = 0.1875 0.1875-0.0000 ( 5233 PWs) bands (ev): -61.6083 -61.6083 -33.6115 -33.6115 -32.6271 -32.6271 -32.6252 -32.6252 -7.7420 -7.7420 -7.2240 -7.2240 -7.1694 -7.1694 -6.6535 -6.6535 -6.5636 -6.5636 -4.5406 -4.5406 -4.5125 -4.5125 -4.4858 -4.4858 3.2645 3.2645 5.8339 5.8339 6.1342 6.1342 6.1883 6.1883 7.5237 7.5237 7.9276 7.9276 7.9626 7.9626 8.3110 8.3110 8.7146 8.7146 8.9139 8.9139 10.5497 10.5497 10.6151 10.6151 10.8824 10.8824 11.8232 11.8232 12.7433 12.7433 14.1479 14.1479 k = 0.1786 0.1786-0.0000 ( 5231 PWs) bands (ev): -61.6082 -61.6082 -33.6113 -33.6113 -32.6269 -32.6269 -32.6251 -32.6251 -7.7625 -7.7625 -7.2255 -7.2255 -7.1744 -7.1744 -6.6475 -6.6475 -6.5641 -6.5641 -4.5383 -4.5383 -4.5115 -4.5115 -4.4865 -4.4865 3.3095 3.3095 5.8386 5.8386 6.1224 6.1224 6.1973 6.1973 7.5779 7.5779 7.9769 7.9769 7.9985 7.9985 8.3425 8.3425 8.6952 8.6952 8.8873 8.8873 10.5112 10.5112 10.5742 10.5742 10.8294 10.8294 11.7987 11.7987 12.6486 12.6486 14.2292 14.2292 k = 0.1696 0.1696-0.0000 ( 5233 PWs) bands (ev): -61.6084 -61.6084 -33.6112 -33.6112 -32.6266 -32.6266 -32.6251 -32.6251 -7.7826 -7.7826 -7.2268 -7.2268 -7.1793 -7.1793 -6.6415 -6.6415 -6.5646 -6.5646 -4.5359 -4.5359 -4.5106 -4.5106 -4.4871 -4.4871 3.3554 3.3554 5.8419 5.8419 6.1037 6.1037 6.2085 6.2085 7.6350 7.6350 8.0269 8.0269 8.0345 8.0345 8.3737 8.3737 8.6771 8.6771 8.8610 8.8610 10.4710 10.4710 10.5320 10.5320 10.7783 10.7783 11.7721 11.7721 12.5543 12.5543 14.3119 14.3119 k = 0.1607 0.1607-0.0000 ( 5233 PWs) bands (ev): -61.6084 -61.6084 -33.6111 -33.6111 -32.6264 -32.6264 -32.6250 -32.6250 -7.8022 -7.8022 -7.2280 -7.2280 -7.1842 -7.1842 -6.6356 -6.6356 -6.5651 -6.5651 -4.5335 -4.5335 -4.5096 -4.5096 -4.4876 -4.4876 3.4021 3.4021 5.8442 5.8442 6.0840 6.0840 6.2162 6.2162 7.6944 7.6944 8.0708 8.0708 8.0775 8.0775 8.4049 8.4049 8.6604 8.6604 8.8359 8.8359 10.4324 10.4324 10.4910 10.4910 10.7250 10.7250 11.7454 11.7454 12.4615 12.4615 14.3952 14.3952 k = 0.1518 0.1518-0.0000 ( 5229 PWs) bands (ev): -61.6081 -61.6081 -33.6110 -33.6110 -32.6262 -32.6262 -32.6249 -32.6249 -7.8211 -7.8211 -7.2290 -7.2290 -7.1889 -7.1889 -6.6298 -6.6298 -6.5657 -6.5657 -4.5311 -4.5311 -4.5085 -4.5085 -4.4880 -4.4880 3.4496 3.4496 5.8452 5.8452 6.0648 6.0648 6.2188 6.2188 7.7561 7.7561 8.1072 8.1072 8.1287 8.1287 8.4358 8.4358 8.6450 8.6450 8.8125 8.8125 10.3948 10.3948 10.4500 10.4500 10.6720 10.6720 11.7198 11.7198 12.3713 12.3713 14.4784 14.4784 k = 0.1429 0.1429-0.0000 ( 5225 PWs) bands (ev): -61.6078 -61.6078 -33.6108 -33.6108 -32.6259 -32.6259 -32.6248 -32.6248 -7.8393 -7.8393 -7.2300 -7.2300 -7.1936 -7.1936 -6.6241 -6.6241 -6.5663 -6.5663 -4.5287 -4.5287 -4.5074 -4.5074 -4.4883 -4.4883 3.4976 3.4976 5.8450 5.8450 6.0467 6.0467 6.2160 6.2160 7.8195 7.8195 8.1434 8.1434 8.1799 8.1799 8.4663 8.4663 8.6310 8.6310 8.7912 8.7912 10.3574 10.3574 10.4096 10.4096 10.6198 10.6198 11.6934 11.6934 12.2829 12.2829 14.5609 14.5609 k = 0.1339 0.1339-0.0000 ( 5225 PWs) bands (ev): -61.6078 -61.6078 -33.6107 -33.6107 -32.6257 -32.6257 -32.6248 -32.6248 -7.8568 -7.8568 -7.2308 -7.2308 -7.1982 -7.1982 -6.6186 -6.6186 -6.5670 -6.5670 -4.5263 -4.5263 -4.5063 -4.5063 -4.4886 -4.4886 3.5460 3.5460 5.8435 5.8435 6.0299 6.0299 6.2080 6.2080 7.8841 7.8841 8.1792 8.1792 8.2309 8.2309 8.4962 8.4962 8.6183 8.6183 8.7725 8.7725 10.3204 10.3204 10.3696 10.3696 10.5667 10.5667 11.6662 11.6662 12.1951 12.1951 14.6419 14.6419 k = 0.1250 0.1250-0.0000 ( 5225 PWs) bands (ev): -61.6078 -61.6078 -33.6106 -33.6106 -32.6256 -32.6256 -32.6248 -32.6248 -7.8734 -7.8734 -7.2316 -7.2316 -7.2026 -7.2026 -6.6133 -6.6133 -6.5676 -6.5676 -4.5241 -4.5241 -4.5051 -4.5051 -4.4888 -4.4888 3.5945 3.5945 5.8408 5.8408 6.0145 6.0145 6.1951 6.1951 7.9494 7.9494 8.2147 8.2147 8.2813 8.2813 8.5253 8.5253 8.6073 8.6073 8.7568 8.7568 10.2841 10.2841 10.3302 10.3302 10.5139 10.5139 11.6392 11.6392 12.1099 12.1099 14.7210 14.7210 k = 0.1161 0.1161-0.0000 ( 5233 PWs) bands (ev): -61.6083 -61.6083 -33.6106 -33.6106 -32.6255 -32.6255 -32.6248 -32.6248 -7.8892 -7.8892 -7.2322 -7.2322 -7.2068 -7.2068 -6.6082 -6.6082 -6.5683 -6.5683 -4.5220 -4.5220 -4.5038 -4.5038 -4.4890 -4.4890 3.6430 3.6430 5.8368 5.8368 6.0006 6.0006 6.1779 6.1779 8.0148 8.0148 8.2494 8.2494 8.3304 8.3304 8.5523 8.5523 8.5987 8.5987 8.7444 8.7444 10.2471 10.2471 10.2908 10.2908 10.4612 10.4612 11.6118 11.6118 12.0247 12.0247 14.7974 14.7974 k = 0.1071 0.1071-0.0000 ( 5237 PWs) bands (ev): -61.6086 -61.6086 -33.6106 -33.6106 -32.6255 -32.6255 -32.6247 -32.6247 -7.9040 -7.9040 -7.2329 -7.2329 -7.2108 -7.2108 -6.6033 -6.6033 -6.5689 -6.5689 -4.5201 -4.5201 -4.5025 -4.5025 -4.4891 -4.4891 3.6910 3.6910 5.8316 5.8316 5.9882 5.9882 6.1570 6.1570 8.0794 8.0794 8.2835 8.2835 8.3779 8.3779 8.5720 8.5720 8.5983 8.5983 8.7356 8.7356 10.2130 10.2130 10.2545 10.2545 10.4069 10.4069 11.5869 11.5869 11.9421 11.9421 14.8706 14.8706 k = 0.0982 0.0982-0.0000 ( 5237 PWs) bands (ev): -61.6086 -61.6086 -33.6105 -33.6105 -32.6254 -32.6254 -32.6247 -32.6247 -7.9177 -7.9177 -7.2334 -7.2334 -7.2146 -7.2146 -6.5987 -6.5987 -6.5695 -6.5695 -4.5183 -4.5183 -4.5010 -4.5010 -4.4892 -4.4892 3.7383 3.7383 5.8255 5.8255 5.9773 5.9773 6.1332 6.1332 8.1431 8.1431 8.3164 8.3164 8.4231 8.4231 8.5732 8.5732 8.6166 8.6166 8.7305 8.7305 10.1798 10.1798 10.2184 10.2184 10.3563 10.3563 11.5618 11.5618 11.8659 11.8659 14.9402 14.9402 k = 0.0893 0.0893-0.0000 ( 5229 PWs) bands (ev): -61.6080 -61.6080 -33.6104 -33.6104 -32.6251 -32.6251 -32.6245 -32.6245 -7.9304 -7.9304 -7.2339 -7.2339 -7.2182 -7.2182 -6.5945 -6.5945 -6.5701 -6.5701 -4.5168 -4.5168 -4.4995 -4.4995 -4.4893 -4.4893 3.7844 3.7844 5.8184 5.8184 5.9679 5.9679 6.1074 6.1074 8.2047 8.2047 8.3482 8.3482 8.4647 8.4647 8.5693 8.5693 8.6411 8.6411 8.7295 8.7295 10.1490 10.1490 10.1861 10.1861 10.3069 10.3069 11.5392 11.5392 11.7957 11.7957 15.0057 15.0057 k = 0.0804 0.0804-0.0000 ( 5229 PWs) bands (ev): -61.6080 -61.6080 -33.6103 -33.6103 -32.6250 -32.6250 -32.6245 -32.6245 -7.9420 -7.9420 -7.2344 -7.2344 -7.2215 -7.2215 -6.5906 -6.5906 -6.5706 -6.5706 -4.5155 -4.5155 -4.4980 -4.4980 -4.4894 -4.4894 3.8290 3.8290 5.8105 5.8105 5.9598 5.9598 6.0803 6.0803 8.2635 8.2635 8.3782 8.3782 8.5000 8.5000 8.5676 8.5676 8.6655 8.6655 8.7328 8.7328 10.1180 10.1180 10.1530 10.1530 10.2594 10.2594 11.5170 11.5170 11.7289 11.7289 15.0665 15.0665 k = 0.0714 0.0714-0.0000 ( 5237 PWs) bands (ev): -61.6085 -61.6085 -33.6103 -33.6103 -32.6250 -32.6250 -32.6246 -32.6246 -7.9525 -7.9525 -7.2348 -7.2348 -7.2245 -7.2245 -6.5870 -6.5870 -6.5711 -6.5711 -4.5144 -4.5144 -4.4965 -4.4965 -4.4894 -4.4894 3.8714 3.8714 5.8019 5.8019 5.9528 5.9528 6.0532 6.0532 8.3182 8.3182 8.4062 8.4062 8.5239 8.5239 8.5733 8.5733 8.6893 8.6893 8.7403 8.7403 10.0884 10.0884 10.1206 10.1206 10.2125 10.2125 11.4956 11.4956 11.6642 11.6642 15.1222 15.1222 k = 0.0625 0.0625-0.0000 ( 5239 PWs) bands (ev): -61.6087 -61.6087 -33.6103 -33.6103 -32.6250 -32.6250 -32.6246 -32.6246 -7.9618 -7.9618 -7.2351 -7.2351 -7.2272 -7.2272 -6.5838 -6.5838 -6.5716 -6.5716 -4.5135 -4.5135 -4.4950 -4.4950 -4.4894 -4.4894 3.9111 3.9111 5.7927 5.7927 5.9470 5.9470 6.0269 6.0269 8.3679 8.3679 8.4321 8.4321 8.5326 8.5326 8.5899 8.5899 8.7128 8.7128 8.7514 8.7514 10.0623 10.0623 10.0915 10.0915 10.1692 10.1692 11.4761 11.4761 11.6067 11.6067 15.1724 15.1724 k = 0.0536 0.0536-0.0000 ( 5227 PWs) bands (ev): -61.6078 -61.6078 -33.6101 -33.6101 -32.6247 -32.6247 -32.6244 -32.6244 -7.9699 -7.9699 -7.2354 -7.2354 -7.2295 -7.2295 -6.5810 -6.5810 -6.5720 -6.5720 -4.5128 -4.5128 -4.4937 -4.4937 -4.4894 -4.4894 3.9475 3.9475 5.7833 5.7833 5.9422 5.9422 6.0025 6.0025 8.4116 8.4116 8.4556 8.4556 8.5334 8.5334 8.6102 8.6102 8.7360 8.7360 8.7650 8.7650 10.0419 10.0419 10.0670 10.0670 10.1316 10.1316 11.4584 11.4584 11.5594 11.5594 15.2168 15.2168 k = 0.0446 0.0446-0.0000 ( 5223 PWs) bands (ev): -61.6075 -61.6075 -33.6100 -33.6100 -32.6246 -32.6246 -32.6244 -32.6244 -7.9769 -7.9769 -7.2357 -7.2357 -7.2316 -7.2316 -6.5786 -6.5786 -6.5723 -6.5723 -4.5122 -4.5122 -4.4924 -4.4924 -4.4894 -4.4894 3.9799 3.9799 5.7739 5.7739 5.9382 5.9382 5.9809 5.9809 8.4479 8.4479 8.4762 8.4762 8.5322 8.5322 8.6291 8.6291 8.7585 8.7585 8.7794 8.7794 10.0221 10.0221 10.0424 10.0424 10.0988 10.0988 11.4436 11.4436 11.5164 11.5164 15.2550 15.2550 k = 0.0357 0.0357-0.0000 ( 5217 PWs) bands (ev): -61.6070 -61.6070 -33.6099 -33.6099 -32.6244 -32.6244 -32.6243 -32.6243 -7.9825 -7.9825 -7.2359 -7.2359 -7.2332 -7.2332 -6.5766 -6.5766 -6.5726 -6.5726 -4.5117 -4.5117 -4.4914 -4.4914 -4.4894 -4.4894 4.0077 4.0077 5.7649 5.7649 5.9351 5.9351 5.9626 5.9626 8.4764 8.4764 8.4936 8.4936 8.5309 8.5309 8.6456 8.6456 8.7793 8.7793 8.7931 8.7931 10.0041 10.0041 10.0207 10.0207 10.0740 10.0740 11.4330 11.4330 11.4793 11.4793 15.2867 15.2867 k = 0.0268 0.0268-0.0000 ( 5221 PWs) bands (ev): -61.6074 -61.6074 -33.6100 -33.6100 -32.6244 -32.6244 -32.6243 -32.6243 -7.9870 -7.9870 -7.2360 -7.2360 -7.2345 -7.2345 -6.5751 -6.5751 -6.5728 -6.5728 -4.5114 -4.5114 -4.4905 -4.4905 -4.4894 -4.4894 4.0301 4.0301 5.7569 5.7569 5.9327 5.9327 5.9482 5.9482 8.4968 8.4968 8.5072 8.5072 8.5306 8.5306 8.6595 8.6595 8.7971 8.7971 8.8051 8.8051 9.9899 9.9899 10.0004 10.0004 10.0523 10.0523 11.4223 11.4223 11.4485 11.4485 15.3117 15.3117 k = 0.0179 0.0179-0.0000 ( 5213 PWs) bands (ev): -61.6068 -61.6068 -33.6099 -33.6099 -32.6243 -32.6243 -32.6242 -32.6242 -7.9902 -7.9902 -7.2362 -7.2362 -7.2355 -7.2355 -6.5740 -6.5740 -6.5730 -6.5730 -4.5111 -4.5111 -4.4899 -4.4899 -4.4894 -4.4894 4.0465 4.0465 5.7506 5.7506 5.9310 5.9310 5.9379 5.9379 8.5101 8.5101 8.5158 8.5158 8.5321 8.5321 8.6702 8.6702 8.8108 8.8108 8.8145 8.8145 9.9810 9.9810 9.9872 9.9872 10.0399 10.0399 11.4158 11.4158 11.4270 11.4270 15.3296 15.3296 k = 0.0089 0.0089-0.0000 ( 5205 PWs) bands (ev): -61.6062 -61.6062 -33.6098 -33.6098 -32.6242 -32.6242 -32.6240 -32.6240 -7.9921 -7.9921 -7.2362 -7.2362 -7.2361 -7.2361 -6.5733 -6.5733 -6.5731 -6.5731 -4.5110 -4.5110 -4.4895 -4.4895 -4.4894 -4.4894 4.0566 4.0566 5.7465 5.7465 5.9300 5.9300 5.9317 5.9317 8.5175 8.5175 8.5192 8.5192 8.5351 8.5351 8.6770 8.6770 8.8195 8.8195 8.8204 8.8204 9.9757 9.9757 9.9791 9.9791 10.0328 10.0328 11.4138 11.4138 11.4144 11.4144 15.3405 15.3405 k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -61.6047 -61.6047 -33.6095 -33.6095 -32.6239 -32.6239 -32.6239 -32.6239 -7.9927 -7.9927 -7.2362 -7.2362 -7.2362 -7.2362 -6.5731 -6.5731 -6.5731 -6.5731 -4.5110 -4.5110 -4.4894 -4.4894 -4.4894 -4.4894 4.0600 4.0600 5.7451 5.7451 5.9297 5.9297 5.9297 5.9297 8.5199 8.5199 8.5199 8.5199 8.5365 8.5365 8.6794 8.6794 8.8225 8.8225 8.8225 8.8225 9.9782 9.9782 9.9782 9.9782 10.0335 10.0335 11.4143 11.4143 11.4143 11.4143 15.3441 15.3441 k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -61.6047 -61.6047 -33.6095 -33.6095 -32.6239 -32.6239 -32.6239 -32.6239 -7.9927 -7.9927 -7.2362 -7.2362 -7.2362 -7.2362 -6.5731 -6.5731 -6.5731 -6.5731 -4.5110 -4.5110 -4.4894 -4.4894 -4.4894 -4.4894 4.0600 4.0600 5.7451 5.7451 5.9297 5.9297 5.9297 5.9297 8.5199 8.5199 8.5199 8.5199 8.5365 8.5365 8.6794 8.6794 8.8225 8.8225 8.8225 8.8225 9.9782 9.9782 9.9782 9.9782 10.0335 10.0335 11.4143 11.4143 11.4143 11.4143 15.3441 15.3441 k = 0.0074 0.0074 0.0074 ( 5203 PWs) bands (ev): -61.6060 -61.6060 -33.6097 -33.6097 -32.6242 -32.6242 -32.6240 -32.6240 -7.9920 -7.9920 -7.2362 -7.2362 -7.2360 -7.2360 -6.5733 -6.5733 -6.5730 -6.5730 -4.5110 -4.5110 -4.4895 -4.4895 -4.4894 -4.4894 4.0566 4.0566 5.7465 5.7465 5.9299 5.9299 5.9319 5.9319 8.5174 8.5174 8.5192 8.5192 8.5351 8.5351 8.6770 8.6770 8.8197 8.8197 8.8201 8.8201 9.9769 9.9769 9.9785 9.9785 10.0330 10.0330 11.4147 11.4147 11.4148 11.4148 15.3404 15.3404 k = 0.0147 0.0147 0.0147 ( 5215 PWs) bands (ev): -61.6069 -61.6069 -33.6099 -33.6099 -32.6243 -32.6243 -32.6242 -32.6242 -7.9901 -7.9901 -7.2362 -7.2362 -7.2354 -7.2354 -6.5741 -6.5741 -6.5729 -6.5729 -4.5111 -4.5111 -4.4899 -4.4899 -4.4894 -4.4894 4.0463 4.0463 5.7506 5.7506 5.9307 5.9307 5.9384 5.9384 8.5098 8.5098 8.5154 8.5154 8.5325 8.5325 8.6701 8.6701 8.8115 8.8115 8.8134 8.8134 9.9832 9.9832 9.9849 9.9849 10.0393 10.0393 11.4215 11.4215 11.4215 11.4215 15.3294 15.3294 k = 0.0221 0.0221 0.0221 ( 5215 PWs) bands (ev): -61.6069 -61.6069 -33.6099 -33.6099 -32.6243 -32.6243 -32.6243 -32.6243 -7.9869 -7.9869 -7.2361 -7.2361 -7.2344 -7.2344 -6.5753 -6.5753 -6.5726 -6.5726 -4.5114 -4.5114 -4.4905 -4.4905 -4.4894 -4.4894 4.0296 4.0296 5.7570 5.7570 5.9319 5.9319 5.9496 5.9496 8.4972 8.4972 8.5047 8.5047 8.5322 8.5322 8.6592 8.6592 8.7986 8.7986 8.8025 8.8025 9.9960 9.9960 9.9992 9.9992 10.0527 10.0527 11.4363 11.4363 11.4364 11.4364 15.3112 15.3112 k = 0.0294 0.0294 0.0294 ( 5215 PWs) bands (ev): -61.6069 -61.6069 -33.6099 -33.6099 -32.6244 -32.6244 -32.6243 -32.6243 -7.9824 -7.9824 -7.2360 -7.2360 -7.2330 -7.2330 -6.5770 -6.5770 -6.5722 -6.5722 -4.5118 -4.5118 -4.4914 -4.4914 -4.4894 -4.4894 4.0068 4.0068 5.7649 5.7649 5.9336 5.9336 5.9653 5.9653 8.4791 8.4791 8.4865 8.4865 8.5344 8.5344 8.6453 8.6453 8.7817 8.7817 8.7880 8.7880 10.0143 10.0143 10.0173 10.0173 10.0707 10.0707 11.4574 11.4574 11.4576 11.4576 15.2859 15.2859 k = 0.0368 0.0368 0.0368 ( 5221 PWs) bands (ev): -61.6073 -61.6073 -33.6100 -33.6100 -32.6244 -32.6244 -32.6244 -32.6244 -7.9766 -7.9766 -7.2359 -7.2359 -7.2312 -7.2312 -6.5792 -6.5792 -6.5718 -6.5718 -4.5122 -4.5122 -4.4925 -4.4925 -4.4894 -4.4894 3.9787 3.9787 5.7735 5.7735 5.9356 5.9356 5.9855 5.9855 8.4555 8.4555 8.4611 8.4611 8.5382 8.5382 8.6293 8.6293 8.7620 8.7620 8.7703 8.7703 10.0343 10.0343 10.0405 10.0405 10.0922 10.0922 11.4828 11.4828 11.4832 11.4832 15.2539 15.2539 k = 0.0441 0.0441 0.0441 ( 5239 PWs) bands (ev): -61.6087 -61.6087 -33.6103 -33.6103 -32.6248 -32.6248 -32.6246 -32.6246 -7.9695 -7.9695 -7.2358 -7.2358 -7.2290 -7.2290 -6.5819 -6.5819 -6.5712 -6.5712 -4.5128 -4.5128 -4.4938 -4.4938 -4.4893 -4.4893 3.9458 3.9458 5.7825 5.7825 5.9381 5.9381 6.0098 6.0098 8.4260 8.4260 8.4287 8.4287 8.5432 8.5432 8.6123 8.6123 8.7405 8.7405 8.7501 8.7501 10.0578 10.0578 10.0659 10.0659 10.1164 10.1164 11.5099 11.5099 11.5102 11.5102 15.2155 15.2155 k = 0.0515 0.0515 0.0515 ( 5239 PWs) bands (ev): -61.6087 -61.6087 -33.6103 -33.6103 -32.6249 -32.6249 -32.6247 -32.6247 -7.9613 -7.9613 -7.2356 -7.2356 -7.2265 -7.2265 -6.5850 -6.5850 -6.5705 -6.5705 -4.5136 -4.5136 -4.4953 -4.4953 -4.4892 -4.4892 3.9089 3.9089 5.7912 5.7912 5.9407 5.9407 6.0377 6.0377 8.3896 8.3896 8.3908 8.3908 8.5492 8.5492 8.5949 8.5949 8.7182 8.7182 8.7282 8.7282 10.0873 10.0873 10.0966 10.0966 10.1463 10.1463 11.5460 11.5460 11.5466 11.5466 15.1710 15.1710 k = 0.0588 0.0588 0.0588 ( 5233 PWs) bands (ev): -61.6083 -61.6083 -33.6103 -33.6103 -32.6248 -32.6248 -32.6247 -32.6247 -7.9518 -7.9518 -7.2355 -7.2355 -7.2235 -7.2235 -6.5885 -6.5885 -6.5697 -6.5697 -4.5145 -4.5145 -4.4970 -4.4970 -4.4889 -4.4889 3.8688 3.8688 5.7996 5.7996 5.9436 5.9436 6.0685 6.0685 8.3444 8.3444 8.3499 8.3499 8.5559 8.5559 8.5778 8.5778 8.6960 8.6960 8.7054 8.7054 10.1226 10.1226 10.1302 10.1302 10.1805 10.1805 11.5870 11.5871 11.5878 11.5878 15.1207 15.1207 k = 0.0662 0.0662 0.0662 ( 5230 PWs) bands (ev): -61.6081 -61.6081 -33.6103 -33.6103 -32.6249 -32.6249 -32.6247 -32.6247 -7.9411 -7.9411 -7.2354 -7.2354 -7.2202 -7.2202 -6.5925 -6.5925 -6.5687 -6.5687 -4.5155 -4.5155 -4.4989 -4.4989 -4.4886 -4.4886 3.8260 3.8260 5.8076 5.8076 5.9467 5.9467 6.1011 6.1011 8.2937 8.2937 8.3036 8.3036 8.5581 8.5581 8.5663 8.5663 8.6744 8.6744 8.6817 8.6817 10.1584 10.1584 10.1672 10.1672 10.2166 10.2166 11.6319 11.6319 11.6328 11.6328 15.0650 15.0650 k = 0.0735 0.0735 0.0735 ( 5224 PWs) bands (ev): -61.6076 -61.6076 -33.6103 -33.6103 -32.6248 -32.6248 -32.6247 -32.6247 -7.9292 -7.9292 -7.2353 -7.2353 -7.2165 -7.2165 -6.5969 -6.5969 -6.5676 -6.5676 -4.5166 -4.5166 -4.5009 -4.5009 -4.4881 -4.4881 3.7812 3.7812 5.8151 5.8151 5.9497 5.9497 6.1345 6.1345 8.2380 8.2380 8.2524 8.2524 8.5425 8.5425 8.5738 8.5738 8.6540 8.6540 8.6582 8.6582 10.1972 10.1972 10.2058 10.2058 10.2552 10.2552 11.6814 11.6814 11.6825 11.6825 15.0042 15.0042 k = 0.0809 0.0809 0.0809 ( 5236 PWs) bands (ev): -61.6086 -61.6086 -33.6105 -33.6105 -32.6251 -32.6251 -32.6250 -32.6250 -7.9163 -7.9163 -7.2352 -7.2352 -7.2124 -7.2124 -6.6016 -6.6016 -6.5665 -6.5665 -4.5178 -4.5178 -4.5030 -4.5030 -4.4876 -4.4876 3.7349 3.7349 5.8221 5.8221 5.9526 5.9526 6.1677 6.1677 8.1780 8.1780 8.1964 8.1964 8.5260 8.5260 8.5834 8.5834 8.6347 8.6347 8.6350 8.6350 10.2358 10.2358 10.2424 10.2424 10.2930 10.2930 11.7313 11.7313 11.7326 11.7326 14.9388 14.9388 k = 0.0882 0.0882 0.0882 ( 5233 PWs) bands (ev): -61.6084 -61.6084 -33.6106 -33.6106 -32.6251 -32.6251 -32.6251 -32.6251 -7.9022 -7.9022 -7.2352 -7.2352 -7.2080 -7.2080 -6.6068 -6.6068 -6.5652 -6.5652 -4.5192 -4.5192 -4.5053 -4.5053 -4.4869 -4.4869 3.6876 3.6876 5.8285 5.8285 5.9553 5.9553 6.1998 6.1998 8.1145 8.1145 8.1368 8.1368 8.5099 8.5099 8.5941 8.5941 8.6131 8.6131 8.6170 8.6170 10.2781 10.2781 10.2821 10.2821 10.3347 10.3347 11.7875 11.7875 11.7891 11.7891 14.8690 14.8690 k = 0.0956 0.0956 0.0956 ( 5230 PWs) bands (ev): -61.6081 -61.6081 -33.6106 -33.6106 -32.6252 -32.6252 -32.6251 -32.6251 -7.8871 -7.8871 -7.2352 -7.2352 -7.2032 -7.2032 -6.6122 -6.6122 -6.5637 -6.5637 -4.5206 -4.5206 -4.5076 -4.5076 -4.4861 -4.4861 3.6398 3.6398 5.8343 5.8343 5.9577 5.9577 6.2300 6.2300 8.0481 8.0481 8.0738 8.0738 8.4946 8.4946 8.5926 8.5926 8.6009 8.6009 8.6057 8.6057 10.3213 10.3213 10.3233 10.3233 10.3779 10.3779 11.8463 11.8463 11.8482 11.8482 14.7952 14.7952 k = 0.1029 0.1029 0.1029 ( 5218 PWs) bands (ev): -61.6073 -61.6073 -33.6106 -33.6106 -32.6252 -32.6252 -32.6250 -32.6250 -7.8710 -7.8710 -7.2354 -7.2354 -7.1981 -7.1981 -6.6180 -6.6180 -6.5621 -6.5621 -4.5220 -4.5220 -4.5100 -4.5100 -4.4852 -4.4852 3.5919 3.5919 5.8396 5.8396 5.9598 5.9598 6.2574 6.2574 7.9790 7.9790 8.0079 8.0079 8.4804 8.4804 8.5742 8.5742 8.5868 8.5868 8.6181 8.6181 10.3654 10.3654 10.3664 10.3664 10.4240 10.4240 11.9100 11.9100 11.9121 11.9121 14.7177 14.7177 k = 0.1103 0.1103 0.1103 ( 5224 PWs) bands (ev): -61.6077 -61.6077 -33.6108 -33.6108 -32.6254 -32.6254 -32.6252 -32.6252 -7.8539 -7.8539 -7.2356 -7.2356 -7.1927 -7.1927 -6.6241 -6.6241 -6.5604 -6.5604 -4.5235 -4.5235 -4.5123 -4.5123 -4.4842 -4.4842 3.5443 3.5443 5.8440 5.8440 5.9612 5.9612 6.2812 6.2812 7.9075 7.9075 7.9393 7.9393 8.4672 8.4672 8.5576 8.5576 8.5741 8.5741 8.6313 8.6313 10.4054 10.4054 10.4093 10.4093 10.4695 10.4695 11.9722 11.9722 11.9746 11.9746 14.6368 14.6368 k = 0.1176 0.1176 0.1176 ( 5224 PWs) bands (ev): -61.6077 -61.6077 -33.6109 -33.6109 -32.6255 -32.6255 -32.6253 -32.6253 -7.8360 -7.8360 -7.2359 -7.2359 -7.1870 -7.1870 -6.6304 -6.6304 -6.5586 -6.5586 -4.5250 -4.5250 -4.5147 -4.5147 -4.4830 -4.4830 3.4971 3.4971 5.8476 5.8476 5.9620 5.9620 6.3007 6.3007 7.8342 7.8342 7.8688 7.8688 8.4556 8.4556 8.5434 8.5434 8.5634 8.5634 8.6453 8.6453 10.4479 10.4479 10.4535 10.4535 10.5170 10.5170 12.0367 12.0367 12.0393 12.0393 14.5529 14.5529 k = 0.1250 0.1250 0.1250 ( 5224 PWs) bands (ev): -61.6077 -61.6077 -33.6110 -33.6110 -32.6256 -32.6256 -32.6255 -32.6255 -7.8172 -7.8172 -7.2363 -7.2363 -7.1809 -7.1809 -6.6369 -6.6369 -6.5566 -6.5566 -4.5265 -4.5265 -4.5171 -4.5171 -4.4818 -4.4818 3.4508 3.4508 5.8503 5.8503 5.9619 5.9619 6.3155 6.3155 7.7593 7.7593 7.7966 7.7966 8.4459 8.4459 8.5316 8.5316 8.5547 8.5547 8.6602 8.6602 10.4889 10.4889 10.4964 10.4964 10.5658 10.5658 12.1045 12.1045 12.1074 12.1074 14.4665 14.4665 k = 0.1324 0.1324 0.1324 ( 5224 PWs) bands (ev): -61.6077 -61.6077 -33.6111 -33.6111 -32.6257 -32.6257 -32.6256 -32.6256 -7.7977 -7.7977 -7.2369 -7.2369 -7.1745 -7.1745 -6.6437 -6.6437 -6.5545 -6.5545 -4.5279 -4.5279 -4.5194 -4.5194 -4.4804 -4.4804 3.4055 3.4055 5.8520 5.8520 5.9611 5.9611 6.3250 6.3250 7.6833 7.6833 7.7230 7.7230 8.4381 8.4381 8.5222 8.5222 8.5482 8.5482 8.6757 8.6757 10.5301 10.5301 10.5387 10.5387 10.6150 10.6150 12.1742 12.1742 12.1773 12.1773 14.3780 14.3780 k = 0.1397 0.1397 0.1397 ( 5227 PWs) bands (ev): -61.6079 -61.6079 -33.6112 -33.6112 -32.6258 -32.6258 -32.6258 -32.6258 -7.7774 -7.7774 -7.2375 -7.2375 -7.1678 -7.1678 -6.6505 -6.6505 -6.5523 -6.5523 -4.5292 -4.5292 -4.5216 -4.5216 -4.4790 -4.4790 3.3614 3.3614 5.8526 5.8526 5.9591 5.9591 6.3289 6.3289 7.6061 7.6061 7.6482 7.6482 8.4325 8.4325 8.5152 8.5152 8.5438 8.5438 8.6920 8.6920 10.5705 10.5705 10.5798 10.5798 10.6642 10.6642 12.2453 12.2453 12.2486 12.2486 14.2879 14.2879 k = 0.1471 0.1471 0.1471 ( 5227 PWs) bands (ev): -61.6079 -61.6079 -33.6113 -33.6113 -32.6260 -32.6260 -32.6260 -32.6260 -7.7566 -7.7566 -7.2384 -7.2384 -7.1608 -7.1608 -6.6575 -6.6575 -6.5499 -6.5499 -4.5304 -4.5304 -4.5237 -4.5237 -4.4774 -4.4774 3.3189 3.3189 5.8519 5.8519 5.9561 5.9561 6.3271 6.3271 7.5281 7.5281 7.5724 7.5724 8.4295 8.4295 8.5109 8.5109 8.5416 8.5416 8.7090 8.7090 10.6105 10.6105 10.6204 10.6204 10.7153 10.7153 12.3177 12.3177 12.3212 12.3212 14.1970 14.1970 k = 0.1544 0.1544 0.1544 ( 5233 PWs) bands (ev): -61.6083 -61.6083 -33.6115 -33.6115 -32.6263 -32.6263 -32.6262 -32.6262 -7.7352 -7.7352 -7.2394 -7.2394 -7.1534 -7.1534 -6.6646 -6.6646 -6.5473 -6.5473 -4.5314 -4.5314 -4.5256 -4.5256 -4.4757 -4.4757 3.2779 3.2779 5.8497 5.8497 5.9518 5.9518 6.3194 6.3194 7.4494 7.4494 7.4959 7.4959 8.4283 8.4283 8.5088 8.5088 8.5418 8.5418 8.7267 8.7267 10.6494 10.6494 10.6593 10.6593 10.7648 10.7648 12.3905 12.3905 12.3942 12.3942 14.1060 14.1060 k = 0.1618 0.1618 0.1618 ( 5215 PWs) bands (ev): -61.6070 -61.6070 -33.6115 -33.6115 -32.6261 -32.6261 -32.6261 -32.6261 -7.7133 -7.7133 -7.2406 -7.2406 -7.1458 -7.1458 -6.6716 -6.6716 -6.5446 -6.5446 -4.5323 -4.5323 -4.5274 -4.5274 -4.4740 -4.4740 3.2388 3.2388 5.8465 5.8465 5.9465 5.9465 6.3060 6.3060 7.3707 7.3707 7.4192 7.4192 8.4304 8.4304 8.5097 8.5097 8.5446 8.5446 8.7450 8.7450 10.6904 10.6904 10.7001 10.7001 10.8187 10.8187 12.4676 12.4676 12.4714 12.4714 14.0159 14.0159 k = 0.1691 0.1691 0.1691 ( 5215 PWs) bands (ev): -61.6070 -61.6070 -33.6116 -33.6116 -32.6263 -32.6263 -32.6263 -32.6263 -7.6912 -7.6912 -7.2419 -7.2419 -7.1378 -7.1378 -6.6787 -6.6787 -6.5418 -6.5418 -4.5330 -4.5330 -4.5290 -4.5290 -4.4721 -4.4721 3.2015 3.2015 5.8416 5.8416 5.9398 5.9398 6.2869 6.2869 7.2915 7.2915 7.3419 7.3419 8.4331 8.4331 8.5124 8.5124 8.5496 8.5496 8.7638 8.7638 10.7284 10.7284 10.7376 10.7376 10.8679 10.8679 12.5430 12.5430 12.5469 12.5469 13.9276 13.9276 k = 0.1765 0.1765 0.1765 ( 5233 PWs) bands (ev): -61.6083 -61.6083 -33.6119 -33.6119 -32.6268 -32.6268 -32.6266 -32.6266 -7.6688 -7.6688 -7.2435 -7.2435 -7.1295 -7.1295 -6.6857 -6.6857 -6.5389 -6.5389 -4.5334 -4.5334 -4.5304 -4.5304 -4.4702 -4.4702 3.1664 3.1664 5.8350 5.8350 5.9315 5.9315 6.2625 6.2625 7.2121 7.2121 7.2643 7.2643 8.4355 8.4355 8.5170 8.5170 8.5567 8.5567 8.7833 8.7833 10.7642 10.7642 10.7723 10.7723 10.9103 10.9103 12.6166 12.6166 12.6206 12.6206 13.8423 13.8423 k = 0.1838 0.1838 0.1838 ( 5227 PWs) bands (ev): -61.6078 -61.6078 -33.6120 -33.6120 -32.6269 -32.6269 -32.6267 -32.6267 -7.6463 -7.6463 -7.2452 -7.2452 -7.1208 -7.1208 -6.6925 -6.6925 -6.5359 -6.5359 -4.5337 -4.5337 -4.5315 -4.5315 -4.4681 -4.4681 3.1333 3.1333 5.8271 5.8271 5.9221 5.9221 6.2331 6.2331 7.1329 7.1329 7.1868 7.1868 8.4397 8.4397 8.5248 8.5248 8.5666 8.5666 8.8033 8.8033 10.8010 10.8010 10.8080 10.8080 10.9568 10.9568 12.6941 12.6941 12.6983 12.6983 13.7614 13.7614 k = 0.1912 0.1912 0.1912 ( 5230 PWs) bands (ev): -61.6080 -61.6080 -33.6122 -33.6122 -32.6271 -32.6271 -32.6269 -32.6269 -7.6239 -7.6239 -7.2471 -7.2471 -7.1117 -7.1117 -6.6991 -6.6991 -6.5327 -6.5327 -4.5336 -4.5336 -4.5324 -4.5324 -4.4660 -4.4660 3.1026 3.1026 5.8174 5.8174 5.9112 5.9112 6.1992 6.1992 7.0541 7.0541 7.1094 7.1094 8.4421 8.4421 8.5348 8.5348 8.5787 8.5787 8.8238 8.8238 10.8366 10.8366 10.8421 10.8421 10.9968 10.9968 12.7711 12.7711 12.7754 12.7754 13.6861 13.6861 k = 0.1985 0.1985 0.1985 ( 5230 PWs) bands (ev): -61.6080 -61.6080 -33.6123 -33.6123 -32.6273 -32.6273 -32.6270 -32.6270 -7.6015 -7.6015 -7.2493 -7.2493 -7.1023 -7.1023 -6.7055 -6.7055 -6.5294 -6.5294 -4.5333 -4.5333 -4.5330 -4.5330 -4.4638 -4.4638 3.0742 3.0742 5.8061 5.8061 5.8990 5.8990 6.1610 6.1610 6.9757 6.9757 7.0324 7.0324 8.4430 8.4430 8.5477 8.5477 8.5932 8.5932 8.8447 8.8447 10.8713 10.8713 10.8750 10.8750 11.0349 11.0349 12.8486 12.8486 12.8529 12.8529 13.6178 13.6178 k = 0.2059 0.2059 0.2059 ( 5242 PWs) bands (ev): -61.6089 -61.6089 -33.6126 -33.6126 -32.6275 -32.6275 -32.6275 -32.6275 -7.5795 -7.5795 -7.2516 -7.2516 -7.0924 -7.0924 -6.7116 -6.7116 -6.5260 -6.5260 -4.5333 -4.5333 -4.5327 -4.5327 -4.4615 -4.4615 3.0483 3.0483 5.7930 5.7930 5.8853 5.8853 6.1190 6.1190 6.8973 6.8973 6.9551 6.9551 8.4412 8.4412 8.5633 8.5633 8.6098 8.6098 8.8661 8.8661 10.9016 10.9016 10.9033 10.9033 11.0693 11.0693 12.9243 12.9243 12.9288 12.9288 13.5580 13.5580 k = 0.2132 0.2132 0.2132 ( 5236 PWs) bands (ev): -61.6084 -61.6084 -33.6127 -33.6127 -32.6276 -32.6276 -32.6275 -32.6275 -7.5579 -7.5579 -7.2542 -7.2542 -7.0821 -7.0821 -6.7174 -6.7174 -6.5225 -6.5225 -4.5333 -4.5333 -4.5317 -4.5317 -4.4591 -4.4591 3.0249 3.0249 5.7786 5.7786 5.8706 5.8706 6.0738 6.0738 6.8205 6.8205 6.8791 6.8791 8.4356 8.4356 8.5818 8.5818 8.6286 8.6286 8.8878 8.8878 10.9339 10.9339 10.9346 10.9346 11.0988 11.0988 13.0038 13.0038 13.0083 13.0083 13.5078 13.5078 k = 0.2206 0.2206 0.2206 ( 5229 PWs) bands (ev): -61.6079 -61.6079 -33.6128 -33.6128 -32.6277 -32.6277 -32.6277 -32.6277 -7.5369 -7.5369 -7.2569 -7.2569 -7.0713 -7.0713 -6.7226 -6.7226 -6.5189 -6.5189 -4.5329 -4.5329 -4.5305 -4.5305 -4.4566 -4.4566 3.0042 3.0042 5.7623 5.7623 5.8544 5.8544 6.0258 6.0258 6.7448 6.7448 6.8040 6.8040 8.4253 8.4253 8.6027 8.6027 8.6494 8.6494 8.9099 8.9099 10.9646 10.9646 10.9680 10.9680 11.1241 11.1241 13.0818 13.0818 13.0863 13.0863 13.4682 13.4682 k = 0.2279 0.2279 0.2279 ( 5229 PWs) bands (ev): -61.6079 -61.6079 -33.6129 -33.6129 -32.6279 -32.6279 -32.6278 -32.6278 -7.5167 -7.5167 -7.2598 -7.2598 -7.0600 -7.0600 -6.7274 -6.7274 -6.5153 -6.5153 -4.5323 -4.5323 -4.5289 -4.5289 -4.4540 -4.4540 2.9861 2.9861 5.7443 5.7443 5.8368 5.8368 5.9752 5.9752 6.6700 6.6700 6.7296 6.7296 8.4092 8.4092 8.6259 8.6259 8.6721 8.6721 8.9322 8.9322 10.9921 10.9921 10.9987 10.9987 11.1431 11.1431 13.1595 13.1595 13.1641 13.1641 13.4401 13.4401 k = 0.2353 0.2353 0.2353 ( 5229 PWs) bands (ev): -61.6078 -61.6078 -33.6131 -33.6131 -32.6280 -32.6280 -32.6280 -32.6280 -7.4973 -7.4973 -7.2629 -7.2629 -7.0482 -7.0482 -6.7315 -6.7315 -6.5115 -6.5115 -4.5313 -4.5313 -4.5269 -4.5269 -4.4514 -4.4514 2.9708 2.9708 5.7246 5.7246 5.8180 5.8180 5.9226 5.9226 6.5966 6.5966 6.6562 6.6562 8.3870 8.3870 8.6513 8.6513 8.6965 8.6965 8.9548 8.9548 11.0181 11.0181 11.0285 11.0285 11.1574 11.1574 13.2371 13.2371 13.2416 13.2416 13.4239 13.4239 k = 0.2426 0.2426 0.2426 ( 5220 PWs) bands (ev): -61.6071 -61.6071 -33.6131 -33.6131 -32.6281 -32.6281 -32.6280 -32.6280 -7.4790 -7.4790 -7.2662 -7.2662 -7.0360 -7.0360 -6.7350 -6.7350 -6.5078 -6.5078 -4.5299 -4.5299 -4.5246 -4.5246 -4.4487 -4.4487 2.9583 2.9583 5.7036 5.7036 5.7983 5.7983 5.8684 5.8684 6.5248 6.5248 6.5841 6.5841 8.3581 8.3581 8.6786 8.6786 8.7226 8.7226 8.9776 8.9776 11.0442 11.0442 11.0591 11.0591 11.1681 11.1681 13.3158 13.3158 13.3203 13.3203 13.4197 13.4197 k = 0.2500 0.2500 0.2500 ( 5226 PWs) bands (ev): -61.6075 -61.6075 -33.6134 -33.6134 -32.6284 -32.6284 -32.6283 -32.6283 -7.4618 -7.4618 -7.2697 -7.2697 -7.0232 -7.0232 -6.7377 -6.7377 -6.5039 -6.5039 -4.5283 -4.5283 -4.5220 -4.5220 -4.4459 -4.4459 2.9487 2.9487 5.6804 5.6804 5.7770 5.7770 5.8127 5.8127 6.4547 6.4547 6.5133 6.5133 8.3205 8.3205 8.7074 8.7074 8.7500 8.7500 9.0006 9.0006 11.0662 11.0662 11.0867 11.0867 11.1727 11.1727 13.3925 13.3925 13.3969 13.3969 13.4269 13.4269 k = 0.2574 0.2574 0.2574 ( 5223 PWs) bands (ev): -61.6072 -61.6072 -33.6135 -33.6135 -32.6285 -32.6285 -32.6285 -32.6285 -7.4459 -7.4459 -7.2733 -7.2733 -7.0101 -7.0101 -6.7395 -6.7395 -6.5000 -6.5000 -4.5262 -4.5262 -4.5190 -4.5190 -4.4430 -4.4430 2.9420 2.9420 5.6556 5.6556 5.7546 5.7546 5.7560 5.7560 6.3866 6.3866 6.4439 6.4439 8.2769 8.2769 8.7376 8.7376 8.7788 8.7788 9.0237 9.0237 11.0859 11.0859 11.1136 11.1136 11.1802 11.1802 13.4454 13.4454 13.4692 13.4692 13.4735 13.4735 k = 0.2647 0.2647 0.2647 ( 5229 PWs) bands (ev): -61.6076 -61.6076 -33.6137 -33.6137 -32.6288 -32.6288 -32.6287 -32.6287 -7.4313 -7.4313 -7.2771 -7.2771 -6.9966 -6.9966 -6.7403 -6.7403 -6.4962 -6.4962 -4.5239 -4.5239 -4.5158 -4.5158 -4.4401 -4.4401 2.9382 2.9382 5.6288 5.6288 5.6987 5.6987 5.7308 5.7308 6.3204 6.3204 6.3761 6.3761 8.2248 8.2248 8.7690 8.7690 8.8086 8.8086 9.0468 9.0468 11.1007 11.1007 11.1376 11.1376 11.1870 11.1870 13.4740 13.4740 13.5443 13.5443 13.5484 13.5484 k = 0.2721 0.2721 0.2721 ( 5229 PWs) bands (ev): -61.6076 -61.6076 -33.6138 -33.6138 -32.6289 -32.6289 -32.6289 -32.6289 -7.4181 -7.4181 -7.2810 -7.2810 -6.9830 -6.9830 -6.7399 -6.7399 -6.4923 -6.4923 -4.5212 -4.5212 -4.5121 -4.5121 -4.4370 -4.4370 2.9375 2.9375 5.6000 5.6000 5.6412 5.6412 5.7060 5.7060 6.2570 6.2570 6.3104 6.3104 8.1644 8.1644 8.8015 8.8015 8.8394 8.8394 9.0699 9.0699 11.1131 11.1131 11.1618 11.1618 11.1955 11.1955 13.5117 13.5117 13.6199 13.6199 13.6238 13.6238 k = 0.2794 0.2794 0.2794 ( 5232 PWs) bands (ev): -61.6077 -61.6077 -33.6140 -33.6140 -32.6291 -32.6291 -32.6291 -32.6291 -7.4064 -7.4064 -7.2850 -7.2850 -6.9693 -6.9693 -6.7383 -6.7383 -6.4884 -6.4884 -4.5183 -4.5183 -4.5082 -4.5082 -4.4339 -4.4339 2.9399 2.9399 5.5677 5.5677 5.5852 5.5852 5.6800 5.6800 6.1960 6.1960 6.2467 6.2467 8.0955 8.0955 8.8347 8.8347 8.8710 8.8710 9.0930 9.0930 11.1220 11.1220 11.1855 11.1855 11.2057 11.2057 13.5573 13.5573 13.6940 13.6940 13.6978 13.6978 k = 0.2868 0.2868 0.2868 ( 5235 PWs) bands (ev): -61.6079 -61.6079 -33.6142 -33.6142 -32.6294 -32.6294 -32.6293 -32.6293 -7.3961 -7.3961 -7.2892 -7.2892 -6.9559 -6.9559 -6.7352 -6.7352 -6.4845 -6.4845 -4.5150 -4.5150 -4.5040 -4.5040 -4.4307 -4.4307 2.9454 2.9454 5.5208 5.5208 5.5422 5.5422 5.6526 5.6526 6.1375 6.1375 6.1851 6.1851 8.0191 8.0191 8.8687 8.8687 8.9032 8.9032 9.1160 9.1160 11.1289 11.1289 11.2085 11.2085 11.2191 11.2191 13.6098 13.6098 13.7667 13.7667 13.7702 13.7702 k = 0.2941 0.2941 0.2941 ( 5235 PWs) bands (ev): -61.6079 -61.6079 -33.6144 -33.6144 -32.6296 -32.6296 -32.6295 -32.6295 -7.3871 -7.3871 -7.2934 -7.2934 -6.9430 -6.9430 -6.7306 -6.7306 -6.4806 -6.4806 -4.5114 -4.5114 -4.4996 -4.4996 -4.4274 -4.4274 2.9540 2.9540 5.4643 5.4643 5.5074 5.5074 5.6242 5.6242 6.0821 6.0821 6.1261 6.1261 7.9349 7.9349 8.9030 8.9030 8.9359 8.9359 9.1389 9.1389 11.1343 11.1343 11.2308 11.2308 11.2337 11.2337 13.6679 13.6679 13.8400 13.8400 13.8433 13.8433 k = 0.3015 0.3015 0.3015 ( 5232 PWs) bands (ev): -61.6076 -61.6076 -33.6145 -33.6145 -32.6298 -32.6298 -32.6296 -32.6296 -7.3795 -7.3795 -7.2977 -7.2977 -6.9307 -6.9307 -6.7243 -6.7243 -6.4768 -6.4768 -4.5076 -4.5076 -4.4949 -4.4949 -4.4240 -4.4240 2.9659 2.9659 5.4072 5.4072 5.4723 5.4723 5.5949 5.5949 6.0295 6.0295 6.0693 6.0693 7.8441 7.8441 8.9378 8.9378 8.9690 8.9690 9.1616 9.1616 11.1412 11.1412 11.2504 11.2504 11.2527 11.2527 13.7308 13.7308 13.9118 13.9118 13.9147 13.9147 k = 0.3088 0.3088 0.3088 ( 5226 PWs) bands (ev): -61.6071 -61.6071 -33.6146 -33.6146 -32.6298 -32.6298 -32.6297 -32.6297 -7.3732 -7.3732 -7.3020 -7.3020 -6.9193 -6.9193 -6.7162 -6.7162 -6.4730 -6.4730 -4.5035 -4.5035 -4.4900 -4.4900 -4.4205 -4.4205 2.9809 2.9809 5.3505 5.3505 5.4356 5.4356 5.5639 5.5639 5.9805 5.9805 6.0161 6.0161 7.7466 7.7466 8.9725 8.9725 9.0021 9.0021 9.1840 9.1840 11.1493 11.1493 11.2673 11.2673 11.2740 11.2740 13.7976 13.7976 13.9838 13.9838 13.9864 13.9864 k = 0.3162 0.3162 0.3162 ( 5226 PWs) bands (ev): -61.6071 -61.6071 -33.6147 -33.6147 -32.6300 -32.6300 -32.6298 -32.6298 -7.3681 -7.3681 -7.3064 -7.3064 -6.9089 -6.9089 -6.7064 -6.7064 -6.4692 -6.4692 -4.4993 -4.4993 -4.4850 -4.4850 -4.4169 -4.4169 2.9992 2.9992 5.2944 5.2944 5.3975 5.3975 5.5315 5.5315 5.9343 5.9343 5.9656 5.9656 7.6434 7.6434 9.0072 9.0072 9.0352 9.0352 9.2061 9.2061 11.1596 11.1596 11.2835 11.2835 11.2927 11.2927 13.8673 13.8673 14.0526 14.0526 14.0548 14.0548 k = 0.3235 0.3235 0.3235 ( 5238 PWs) bands (ev): -61.6079 -61.6079 -33.6150 -33.6150 -32.6304 -32.6304 -32.6301 -32.6301 -7.3640 -7.3640 -7.3108 -7.3108 -6.8997 -6.8997 -6.6949 -6.6949 -6.4656 -6.4656 -4.4948 -4.4948 -4.4799 -4.4799 -4.4132 -4.4132 3.0208 3.0208 5.2394 5.2394 5.3582 5.3582 5.4978 5.4978 5.8905 5.8905 5.9176 5.9176 7.5345 7.5345 9.0416 9.0416 9.0681 9.0681 9.2279 9.2279 11.1692 11.1692 11.2977 11.2977 11.3095 11.3095 13.9386 13.9386 14.1184 14.1184 14.1200 14.1200 k = 0.3309 0.3309 0.3309 ( 5238 PWs) bands (ev): -61.6079 -61.6079 -33.6151 -33.6151 -32.6305 -32.6305 -32.6303 -32.6303 -7.3609 -7.3609 -7.3152 -7.3152 -6.8915 -6.8915 -6.6818 -6.6818 -6.4620 -6.4620 -4.4901 -4.4901 -4.4747 -4.4747 -4.4094 -4.4094 3.0457 3.0457 5.1854 5.1854 5.3183 5.3183 5.4634 5.4634 5.8503 5.8503 5.8733 5.8733 7.4210 7.4210 9.0757 9.0757 9.1007 9.1007 9.2493 9.2493 11.1806 11.1806 11.3133 11.3133 11.3279 11.3279 14.0112 14.0112 14.1853 14.1853 14.1864 14.1864 k = 0.3382 0.3382 0.3382 ( 5238 PWs) bands (ev): -61.6079 -61.6079 -33.6152 -33.6152 -32.6307 -32.6307 -32.6304 -32.6304 -7.3587 -7.3587 -7.3196 -7.3196 -6.8844 -6.8844 -6.6675 -6.6675 -6.4585 -6.4585 -4.4854 -4.4854 -4.4696 -4.4696 -4.4054 -4.4054 3.0739 3.0739 5.1327 5.1327 5.2777 5.2777 5.4279 5.4279 5.8130 5.8130 5.8321 5.8321 7.3036 7.3036 9.1092 9.1092 9.1329 9.1329 9.2703 9.2703 11.1937 11.1937 11.3283 11.3283 11.3451 11.3451 14.0843 14.0843 14.2512 14.2512 14.2517 14.2517 k = 0.3456 0.3456 0.3456 ( 5238 PWs) bands (ev): -61.6078 -61.6078 -33.6154 -33.6154 -32.6309 -32.6309 -32.6305 -32.6305 -7.3572 -7.3572 -7.3239 -7.3239 -6.8782 -6.8782 -6.6521 -6.6521 -6.4551 -6.4551 -4.4805 -4.4805 -4.4644 -4.4644 -4.4013 -4.4013 3.1055 3.1055 5.0815 5.0815 5.2370 5.2370 5.3919 5.3919 5.7779 5.7779 5.7937 5.7937 7.1830 7.1830 9.1421 9.1421 9.1644 9.1644 9.2907 9.2907 11.2087 11.2087 11.3439 11.3439 11.3623 11.3623 14.1574 14.1574 14.3141 14.3141 14.3143 14.3143 k = 0.3529 0.3529 0.3529 ( 5226 PWs) bands (ev): -61.6069 -61.6069 -33.6154 -33.6154 -32.6308 -32.6308 -32.6306 -32.6306 -7.3565 -7.3565 -7.3282 -7.3282 -6.8727 -6.8727 -6.6360 -6.6360 -6.4518 -6.4518 -4.4755 -4.4755 -4.4594 -4.4594 -4.3971 -4.3971 3.1404 3.1404 5.0318 5.0318 5.1964 5.1964 5.3556 5.3556 5.7463 5.7463 5.7591 5.7591 7.0596 7.0596 9.1741 9.1741 9.1953 9.1953 9.3106 9.3106 11.2248 11.2248 11.3605 11.3605 11.3809 11.3809 14.2299 14.2299 14.3781 14.3781 14.3789 14.3789 k = 0.3603 0.3603 0.3603 ( 5226 PWs) bands (ev): -61.6069 -61.6069 -33.6155 -33.6155 -32.6309 -32.6309 -32.6307 -32.6307 -7.3563 -7.3563 -7.3324 -7.3324 -6.8680 -6.8680 -6.6194 -6.6194 -6.4487 -6.4487 -4.4705 -4.4705 -4.4545 -4.4545 -4.3927 -4.3927 3.1786 3.1786 4.9837 4.9837 5.1559 5.1559 5.3189 5.3189 5.7166 5.7166 5.7268 5.7268 6.9339 6.9339 9.2053 9.2053 9.2254 9.2254 9.3300 9.3300 11.2401 11.2401 11.3745 11.3745 11.3962 11.3962 14.3011 14.3011 14.4385 14.4385 14.4400 14.4400 k = 0.3676 0.3676 0.3676 ( 5232 PWs) bands (ev): -61.6073 -61.6073 -33.6157 -33.6157 -32.6312 -32.6312 -32.6309 -32.6309 -7.3566 -7.3566 -7.3365 -7.3365 -6.8638 -6.8638 -6.6025 -6.6025 -6.4456 -6.4456 -4.4655 -4.4655 -4.4497 -4.4497 -4.3882 -4.3882 3.2203 3.2203 4.9374 4.9374 5.1160 5.1160 5.2822 5.2822 5.6883 5.6883 5.6965 5.6965 6.8069 6.8069 9.2353 9.2353 9.2544 9.2544 9.3486 9.3486 11.2562 11.2562 11.3881 11.3881 11.4104 11.4104 14.3706 14.3706 14.4944 14.4944 14.4968 14.4968 k = 0.3750 0.3750 0.3750 ( 5217 PWs) bands (ev): -61.6061 -61.6061 -33.6156 -33.6156 -32.6310 -32.6310 -32.6309 -32.6309 -7.3573 -7.3573 -7.3405 -7.3405 -6.8601 -6.8601 -6.5857 -6.5857 -6.4427 -6.4427 -4.4605 -4.4605 -4.4452 -4.4452 -4.3836 -4.3836 3.2653 3.2653 4.8931 4.8931 5.0771 5.0771 5.2463 5.2463 5.6635 5.6635 5.6700 5.6700 6.6788 6.6788 9.2643 9.2643 9.2825 9.2825 9.3666 9.3666 11.2744 11.2744 11.4039 11.4039 11.4268 11.4268 14.4384 14.4384 14.5533 14.5533 14.5562 14.5562 k = 0.3824 0.3824 0.3824 ( 5229 PWs) bands (ev): -61.6070 -61.6070 -33.6158 -33.6158 -32.6313 -32.6313 -32.6312 -32.6312 -7.3583 -7.3583 -7.3444 -7.3444 -6.8568 -6.8568 -6.5690 -6.5690 -6.4399 -6.4399 -4.4556 -4.4556 -4.4410 -4.4410 -4.3789 -4.3789 3.3137 3.3137 4.8506 4.8506 5.0391 5.0391 5.2108 5.2108 5.6389 5.6389 5.6440 5.6440 6.5500 6.5500 9.2919 9.2919 9.3094 9.3094 9.3838 9.3838 11.2901 11.2901 11.4160 11.4160 11.4386 11.4386 14.5034 14.5034 14.6036 14.6036 14.6072 14.6072 k = 0.3897 0.3897 0.3897 ( 5226 PWs) bands (ev): -61.6067 -61.6067 -33.6159 -33.6159 -32.6314 -32.6314 -32.6313 -32.6313 -7.3596 -7.3596 -7.3481 -7.3481 -6.8538 -6.8538 -6.5527 -6.5527 -6.4373 -6.4373 -4.4507 -4.4507 -4.4370 -4.4370 -4.3742 -4.3742 3.3655 3.3655 4.8104 4.8104 5.0026 5.0026 5.1766 5.1766 5.6170 5.6170 5.6209 5.6209 6.4211 6.4211 9.3182 9.3182 9.3351 9.3351 9.4003 9.4003 11.3066 11.3066 11.4294 11.4294 11.4520 11.4520 14.5659 14.5659 14.6555 14.6555 14.6596 14.6596 k = 0.3971 0.3971 0.3971 ( 5229 PWs) bands (ev): -61.6069 -61.6069 -33.6160 -33.6160 -32.6315 -32.6315 -32.6315 -32.6315 -7.3611 -7.3611 -7.3516 -7.3516 -6.8511 -6.8511 -6.5368 -6.5368 -6.4348 -6.4348 -4.4460 -4.4460 -4.4332 -4.4332 -4.3694 -4.3694 3.4205 3.4205 4.7722 4.7722 4.9675 4.9675 5.1436 5.1436 5.5966 5.5966 5.5997 5.5997 6.2923 6.2923 9.3431 9.3431 9.3594 9.3594 9.4160 9.4160 11.3217 11.3217 11.4412 11.4412 11.4629 11.4629 14.6254 14.6254 14.7044 14.7044 14.7089 14.7089 k = 0.4044 0.4044 0.4044 ( 5238 PWs) bands (ev): -61.6075 -61.6075 -33.6162 -33.6162 -32.6317 -32.6317 -32.6317 -32.6317 -7.3627 -7.3627 -7.3550 -7.3550 -6.8487 -6.8487 -6.5216 -6.5216 -6.4324 -6.4324 -4.4414 -4.4414 -4.4298 -4.4298 -4.3647 -4.3647 3.4788 3.4788 4.7363 4.7363 4.9340 4.9340 5.1118 5.1118 5.5781 5.5781 5.5805 5.5805 6.1641 6.1641 9.3664 9.3664 9.3824 9.3824 9.4308 9.4308 11.3341 11.3341 11.4505 11.4505 11.4708 11.4708 14.6817 14.6817 14.7512 14.7512 14.7560 14.7560 k = 0.4118 0.4118 0.4118 ( 5241 PWs) bands (ev): -61.6077 -61.6077 -33.6163 -33.6163 -32.6319 -32.6319 -32.6318 -32.6318 -7.3644 -7.3644 -7.3582 -7.3582 -6.8465 -6.8465 -6.5072 -6.5072 -6.4303 -6.4303 -4.4371 -4.4371 -4.4266 -4.4266 -4.3601 -4.3601 3.5403 3.5403 4.7028 4.7028 4.9024 4.9024 5.0821 5.0821 5.5609 5.5609 5.5628 5.5628 6.0369 6.0369 9.3882 9.3882 9.4039 9.4039 9.4447 9.4447 11.3471 11.3471 11.4612 11.4612 11.4809 11.4809 14.7347 14.7347 14.7949 14.7949 14.7997 14.7997 k = 0.4191 0.4191 0.4191 ( 5244 PWs) bands (ev): -61.6079 -61.6079 -33.6164 -33.6164 -32.6320 -32.6320 -32.6319 -32.6319 -7.3662 -7.3662 -7.3612 -7.3612 -6.8445 -6.8445 -6.4936 -6.4936 -6.4282 -6.4282 -4.4329 -4.4329 -4.4237 -4.4237 -4.3556 -4.3556 3.6051 3.6051 4.6717 4.6717 4.8727 4.8727 5.0540 5.0540 5.5451 5.5451 5.5465 5.5465 5.9113 5.9113 9.4084 9.4084 9.4239 9.4239 9.4577 9.4577 11.3603 11.3603 11.4719 11.4719 11.4889 11.4889 14.7842 14.7842 14.8356 14.8356 14.8404 14.8404 k = 0.4265 0.4265 0.4265 ( 5244 PWs) bands (ev): -61.6079 -61.6079 -33.6165 -33.6165 -32.6322 -32.6322 -32.6319 -32.6319 -7.3679 -7.3679 -7.3640 -7.3640 -6.8427 -6.8427 -6.4809 -6.4809 -6.4264 -6.4264 -4.4290 -4.4290 -4.4211 -4.4211 -4.3512 -4.3512 3.6729 3.6729 4.6430 4.6430 4.8450 4.8450 5.0281 5.0281 5.5306 5.5306 5.5317 5.5317 5.7875 5.7875 9.4268 9.4268 9.4423 9.4423 9.4698 9.4698 11.3739 11.3739 11.4840 11.4840 11.4965 11.4965 14.8300 14.8300 14.8728 14.8728 14.8773 14.8773 k = 0.4338 0.4338 0.4338 ( 5244 PWs) bands (ev): -61.6078 -61.6078 -33.6166 -33.6166 -32.6322 -32.6322 -32.6320 -32.6320 -7.3695 -7.3695 -7.3665 -7.3665 -6.8410 -6.8410 -6.4692 -6.4692 -6.4247 -6.4247 -4.4254 -4.4254 -4.4188 -4.4188 -4.3472 -4.3472 3.7436 3.7436 4.6170 4.6170 4.8193 4.8193 5.0043 5.0043 5.5178 5.5178 5.5187 5.5187 5.6657 5.6657 9.4436 9.4436 9.4591 9.4591 9.4809 9.4809 11.3848 11.3848 11.4941 11.4941 11.5045 11.5045 14.8720 14.8720 14.9077 14.9077 14.9118 14.9118 k = 0.4412 0.4412 0.4412 ( 5250 PWs) bands (ev): -61.6082 -61.6082 -33.6167 -33.6167 -32.6324 -32.6324 -32.6321 -32.6321 -7.3711 -7.3711 -7.3688 -7.3688 -6.8396 -6.8396 -6.4586 -6.4586 -6.4232 -6.4232 -4.4221 -4.4221 -4.4167 -4.4167 -4.3434 -4.3434 3.8171 3.8171 4.5935 4.5935 4.7955 4.7955 4.9827 4.9827 5.5061 5.5061 5.5068 5.5068 5.5468 5.5468 9.4585 9.4585 9.4742 9.4742 9.4910 9.4910 11.3939 11.3939 11.5028 11.5028 11.5104 11.5104 14.9099 14.9099 14.9381 14.9381 14.9418 14.9418 k = 0.4485 0.4485 0.4485 ( 5244 PWs) bands (ev): -61.6078 -61.6078 -33.6167 -33.6167 -32.6323 -32.6323 -32.6322 -32.6322 -7.3726 -7.3726 -7.3709 -7.3709 -6.8383 -6.8383 -6.4491 -6.4491 -6.4218 -6.4218 -4.4191 -4.4191 -4.4149 -4.4149 -4.3399 -4.3399 3.8930 3.8930 4.5727 4.5727 4.7738 4.7738 4.9636 4.9636 5.4307 5.4307 5.4965 5.4965 5.4968 5.4968 9.4716 9.4716 9.4876 9.4876 9.5001 9.5001 11.4039 11.4039 11.5126 11.5126 11.5182 11.5182 14.9442 14.9442 14.9670 14.9670 14.9698 14.9698 k = 0.4559 0.4559 0.4559 ( 5238 PWs) bands (ev): -61.6073 -61.6073 -33.6167 -33.6167 -32.6323 -32.6323 -32.6322 -32.6322 -7.3739 -7.3739 -7.3727 -7.3727 -6.8372 -6.8372 -6.4408 -6.4408 -6.4207 -6.4207 -4.4165 -4.4165 -4.4133 -4.4133 -4.3369 -4.3369 3.9709 3.9709 4.5546 4.5546 4.7536 4.7536 4.9469 4.9469 5.3191 5.3191 5.4884 5.4884 5.4886 5.4886 9.4829 9.4829 9.4993 9.4993 9.5082 9.5082 11.4117 11.4117 11.5205 11.5205 11.5241 11.5241 14.9742 14.9742 14.9938 14.9938 14.9956 14.9956 k = 0.4632 0.4632 0.4632 ( 5250 PWs) bands (ev): -61.6081 -61.6081 -33.6168 -33.6168 -32.6325 -32.6325 -32.6324 -32.6324 -7.3750 -7.3750 -7.3742 -7.3742 -6.8363 -6.8363 -6.4337 -6.4337 -6.4197 -6.4197 -4.4143 -4.4143 -4.4120 -4.4120 -4.3342 -4.3342 4.0502 4.0502 4.5391 4.5391 4.7343 4.7343 4.9324 4.9324 5.2130 5.2130 5.4805 5.4805 5.4807 5.4807 9.4924 9.4924 9.5093 9.5093 9.5152 9.5152 11.4159 11.4159 11.5246 11.5246 11.5270 11.5270 14.9995 14.9995 15.0133 15.0133 15.0145 15.0145 k = 0.4706 0.4706 0.4706 ( 5247 PWs) bands (ev): -61.6079 -61.6079 -33.6168 -33.6168 -32.6326 -32.6326 -32.6323 -32.6323 -7.3760 -7.3760 -7.3755 -7.3755 -6.8355 -6.8355 -6.4279 -6.4279 -6.4188 -6.4188 -4.4124 -4.4124 -4.4109 -4.4109 -4.3320 -4.3320 4.1297 4.1297 4.5264 4.5264 4.7152 4.7152 4.9208 4.9208 5.1142 5.1142 5.4756 5.4756 5.4757 5.4757 9.5000 9.5000 9.5174 9.5174 9.5211 9.5211 11.4194 11.4194 11.5259 11.5259 11.5324 11.5324 15.0205 15.0205 15.0341 15.0341 15.0345 15.0345 k = 0.4779 0.4779 0.4779 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3768 -7.3768 -7.3765 -7.3765 -6.8349 -6.8349 -6.4233 -6.4233 -6.4182 -6.4182 -4.4109 -4.4109 -4.4101 -4.4101 -4.3302 -4.3302 4.2076 4.2076 4.5166 4.5166 4.6946 4.6946 4.9116 4.9116 5.0280 5.0280 5.4714 5.4714 5.4715 5.4715 9.5058 9.5058 9.5238 9.5238 9.5258 9.5258 11.4266 11.4266 11.5349 11.5349 11.5365 11.5365 15.0368 15.0368 15.0496 15.0496 15.0497 15.0497 k = 0.4853 0.4853 0.4853 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3773 -7.3773 -7.3772 -7.3772 -6.8345 -6.8345 -6.4200 -6.4200 -6.4177 -6.4177 -4.4099 -4.4099 -4.4095 -4.4095 -4.3289 -4.3289 4.2794 4.2794 4.5096 4.5096 4.6707 4.6707 4.9051 4.9051 4.9591 4.9591 5.4681 5.4681 5.4681 5.4681 9.5099 9.5099 9.5284 9.5284 9.5292 9.5292 11.4294 11.4294 11.5379 11.5379 11.5386 11.5386 15.0483 15.0483 15.0593 15.0593 15.0593 15.0593 k = 0.4926 0.4926 0.4926 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3776 -7.3776 -7.3776 -7.3776 -6.8343 -6.8343 -6.4180 -6.4180 -6.4175 -6.4175 -4.4092 -4.4092 -4.4091 -4.4091 -4.3282 -4.3282 4.3356 4.3356 4.5053 4.5053 4.6459 4.6459 4.9011 4.9011 4.9148 4.9148 5.4661 5.4661 5.4661 5.4661 9.5124 9.5124 9.5311 9.5311 9.5313 9.5313 11.4311 11.4311 11.5397 11.5397 11.5399 11.5399 15.0552 15.0552 15.0651 15.0651 15.0651 15.0651 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3778 -7.3778 -7.3778 -7.3778 -6.8342 -6.8342 -6.4174 -6.4174 -6.4174 -6.4174 -4.4090 -4.4090 -4.4090 -4.4090 -4.3279 -4.3279 4.3587 4.3587 4.5039 4.5039 4.6337 4.6337 4.8998 4.8998 4.8998 4.8998 5.4654 5.4654 5.4654 5.4654 9.5132 9.5132 9.5320 9.5320 9.5320 9.5320 11.4317 11.4317 11.5403 11.5403 11.5403 11.5403 15.0574 15.0574 15.0671 15.0671 15.0671 15.0671 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3778 -7.3778 -7.3778 -7.3778 -6.8342 -6.8342 -6.4174 -6.4174 -6.4174 -6.4174 -4.4090 -4.4090 -4.4090 -4.4090 -4.3279 -4.3279 4.3587 4.3587 4.5039 4.5039 4.6337 4.6337 4.8998 4.8998 4.8998 4.8998 5.4654 5.4654 5.4654 5.4654 9.5132 9.5132 9.5320 9.5320 9.5320 9.5320 11.4317 11.4317 11.5403 11.5403 11.5403 11.5403 15.0574 15.0574 15.0671 15.0671 15.0671 15.0671 k = 0.4911 0.5000 0.4911 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3777 -7.3777 -7.3775 -7.3775 -6.8343 -6.8343 -6.4180 -6.4180 -6.4175 -6.4175 -4.4092 -4.4092 -4.4091 -4.4091 -4.3282 -4.3282 4.3360 4.3360 4.5053 4.5053 4.6458 4.6458 4.9012 4.9012 4.9145 4.9145 5.4657 5.4657 5.4664 5.4664 9.5124 9.5124 9.5310 9.5310 9.5315 9.5315 11.4311 11.4311 11.5396 11.5396 11.5400 11.5400 15.0552 15.0552 15.0642 15.0642 15.0661 15.0661 k = 0.4821 0.5000 0.4821 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3776 -7.3776 -7.3769 -7.3769 -6.8345 -6.8345 -6.4198 -6.4198 -6.4179 -6.4179 -4.4099 -4.4099 -4.4094 -4.4094 -4.3289 -4.3289 4.2804 4.2804 4.5095 4.5095 4.6704 4.6704 4.9054 4.9054 4.9576 4.9576 5.4667 5.4667 5.4694 5.4694 9.5099 9.5099 9.5280 9.5280 9.5298 9.5298 11.4294 11.4294 11.5374 11.5374 11.5391 11.5391 15.0485 15.0485 15.0555 15.0555 15.0633 15.0633 k = 0.4732 0.5000 0.4732 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6322 -32.6322 -7.3773 -7.3773 -7.3759 -7.3759 -6.8349 -6.8349 -6.4229 -6.4229 -6.4185 -6.4185 -4.4110 -4.4110 -4.4099 -4.4099 -4.3302 -4.3302 4.2092 4.2092 4.5163 4.5163 4.6947 4.6947 4.9125 4.9125 5.0247 5.0247 5.4683 5.4683 5.4744 5.4744 9.5056 9.5056 9.5231 9.5231 9.5271 9.5271 11.4266 11.4266 11.5339 11.5339 11.5377 11.5377 15.0373 15.0373 15.0412 15.0412 15.0585 15.0585 k = 0.4643 0.5000 0.4643 ( 5252 PWs) bands (ev): -61.6083 -61.6083 -33.6169 -33.6169 -32.6326 -32.6326 -32.6323 -32.6323 -7.3770 -7.3770 -7.3745 -7.3745 -6.8355 -6.8355 -6.4271 -6.4271 -6.4194 -6.4194 -4.4126 -4.4126 -4.4107 -4.4107 -4.3319 -4.3319 4.1315 4.1315 4.5258 4.5258 4.7158 4.7158 4.9222 4.9222 5.1089 5.1089 5.4700 5.4700 5.4801 5.4801 9.4990 9.4990 9.5165 9.5165 9.5234 9.5234 11.4190 11.4190 11.5241 11.5241 11.5341 11.5341 15.0165 15.0165 15.0216 15.0216 15.0495 15.0495 k = 0.4554 0.5000 0.4554 ( 5250 PWs) bands (ev): -61.6081 -61.6081 -33.6168 -33.6168 -32.6325 -32.6325 -32.6324 -32.6324 -7.3766 -7.3766 -7.3727 -7.3727 -6.8362 -6.8362 -6.4325 -6.4325 -6.4205 -6.4205 -4.4145 -4.4145 -4.4116 -4.4116 -4.3341 -4.3341 4.0519 4.0519 4.5379 4.5379 4.7359 4.7359 4.9353 4.9353 5.2046 5.2046 5.4733 5.4733 5.4879 5.4879 9.4900 9.4900 9.5085 9.5085 9.5189 9.5189 11.4157 11.4157 11.5214 11.5214 11.5310 11.5310 14.9874 14.9874 15.0016 15.0016 15.0419 15.0419 k = 0.4464 0.5000 0.4464 ( 5246 PWs) bands (ev): -61.6079 -61.6079 -33.6168 -33.6168 -32.6324 -32.6324 -32.6323 -32.6323 -7.3761 -7.3761 -7.3706 -7.3706 -6.8371 -6.8371 -6.4391 -6.4391 -6.4219 -6.4219 -4.4169 -4.4169 -4.4127 -4.4127 -4.3367 -4.3367 3.9723 3.9723 4.5525 4.5525 4.7560 4.7560 4.9511 4.9511 5.3080 5.3080 5.4770 5.4770 5.4989 5.4989 9.4784 9.4784 9.4991 9.4991 9.5135 9.5135 11.4104 11.4104 11.5154 11.5154 11.5286 11.5286 14.9571 14.9571 14.9774 14.9774 15.0309 15.0309 k = 0.4375 0.5000 0.4375 ( 5258 PWs) bands (ev): -61.6088 -61.6088 -33.6168 -33.6168 -32.6326 -32.6326 -32.6323 -32.6323 -7.3756 -7.3756 -7.3680 -7.3680 -6.8381 -6.8381 -6.4467 -6.4467 -6.4236 -6.4236 -4.4197 -4.4197 -4.4140 -4.4140 -4.3397 -4.3397 3.8938 3.8938 4.5692 4.5692 4.7770 4.7770 4.9698 4.9698 5.4164 5.4164 5.4816 5.4816 5.5109 5.5109 9.4642 9.4642 9.4882 9.4882 9.5073 9.5073 11.4007 11.4007 11.5053 11.5053 11.5225 11.5225 14.9186 14.9186 14.9489 14.9489 15.0168 15.0168 k = 0.4286 0.5000 0.4286 ( 5238 PWs) bands (ev): -61.6074 -61.6074 -33.6166 -33.6166 -32.6323 -32.6323 -32.6320 -32.6320 -7.3750 -7.3750 -7.3651 -7.3651 -6.8393 -6.8393 -6.4555 -6.4555 -6.4254 -6.4254 -4.4229 -4.4229 -4.4155 -4.4155 -4.3432 -4.3432 3.8172 3.8172 4.5883 4.5883 4.7998 4.7998 4.9918 4.9918 5.4878 5.4878 5.5269 5.5269 5.5296 5.5296 9.4476 9.4476 9.4754 9.4754 9.5003 9.5003 11.3945 11.3945 11.4992 11.4992 11.5234 11.5234 14.8823 14.8823 14.9167 14.9167 15.0041 15.0041 k = 0.4196 0.5000 0.4196 ( 5238 PWs) bands (ev): -61.6074 -61.6074 -33.6165 -33.6165 -32.6323 -32.6323 -32.6319 -32.6319 -7.3744 -7.3744 -7.3619 -7.3619 -6.8406 -6.8406 -6.4653 -6.4653 -6.4275 -6.4275 -4.4265 -4.4265 -4.4172 -4.4172 -4.3469 -4.3469 3.7426 3.7426 4.6092 4.6092 4.8242 4.8242 5.0166 5.0166 5.4952 5.4952 5.5433 5.5433 5.6450 5.6450 9.4289 9.4289 9.4608 9.4608 9.4924 9.4924 11.3838 11.3838 11.4896 11.4896 11.5198 11.5198 14.8363 14.8363 14.8805 14.8805 14.9882 14.9882 k = 0.4107 0.5000 0.4107 ( 5240 PWs) bands (ev): -61.6076 -61.6076 -33.6165 -33.6165 -32.6322 -32.6322 -32.6318 -32.6318 -7.3738 -7.3738 -7.3584 -7.3584 -6.8420 -6.8420 -6.4760 -6.4760 -6.4299 -6.4299 -4.4305 -4.4305 -4.4191 -4.4191 -4.3510 -4.3510 3.6705 3.6705 4.6319 4.6319 4.8503 4.8503 5.0444 5.0444 5.5040 5.5040 5.5614 5.5614 5.7630 5.7630 9.4081 9.4081 9.4440 9.4440 9.4837 9.4837 11.3708 11.3708 11.4798 11.4798 11.5155 11.5155 14.7849 14.7849 14.8407 14.8407 14.9706 14.9706 k = 0.4018 0.5000 0.4018 ( 5230 PWs) bands (ev): -61.6069 -61.6069 -33.6163 -33.6163 -32.6320 -32.6320 -32.6316 -32.6316 -7.3731 -7.3731 -7.3546 -7.3546 -6.8436 -6.8436 -6.4877 -6.4877 -6.4324 -6.4324 -4.4348 -4.4348 -4.4212 -4.4212 -4.3553 -4.3553 3.6011 3.6011 4.6563 4.6563 4.8785 4.8785 5.0752 5.0752 5.5150 5.5150 5.5820 5.5820 5.8831 5.8831 9.3855 9.3855 9.4249 9.4249 9.4741 9.4741 11.3575 11.3575 11.4719 11.4719 11.5149 11.5149 14.7323 14.7323 14.7976 14.7976 14.9519 14.9519 k = 0.3929 0.5000 0.3929 ( 5232 PWs) bands (ev): -61.6071 -61.6071 -33.6163 -33.6163 -32.6320 -32.6320 -32.6315 -32.6315 -7.3725 -7.3725 -7.3505 -7.3505 -6.8453 -6.8453 -6.5003 -6.5003 -6.4352 -6.4352 -4.4394 -4.4394 -4.4234 -4.4234 -4.3598 -4.3598 3.5344 3.5344 4.6820 4.6820 4.9081 4.9081 5.1087 5.1087 5.5279 5.5279 5.6039 5.6039 6.0044 6.0044 9.3611 9.3611 9.4033 9.4033 9.4636 9.4636 11.3411 11.3411 11.4621 11.4621 11.5106 11.5106 14.6733 14.6733 14.7512 14.7512 14.9307 14.9307 k = 0.3839 0.5000 0.3839 ( 5228 PWs) bands (ev): -61.6068 -61.6068 -33.6161 -33.6161 -32.6319 -32.6319 -32.6313 -32.6313 -7.3718 -7.3718 -7.3461 -7.3461 -6.8470 -6.8470 -6.5137 -6.5137 -6.4383 -6.4383 -4.4442 -4.4442 -4.4258 -4.4258 -4.3646 -4.3646 3.4706 3.4706 4.7090 4.7090 4.9394 4.9394 5.1447 5.1447 5.5434 5.5434 5.6273 5.6273 6.1270 6.1270 9.3353 9.3353 9.3792 9.3792 9.4520 9.4520 11.3250 11.3250 11.4548 11.4548 11.5081 11.5081 14.6104 14.6104 14.7020 14.7020 14.9077 14.9077 k = 0.3750 0.5000 0.3750 ( 5232 PWs) bands (ev): -61.6071 -61.6071 -33.6161 -33.6161 -32.6319 -32.6319 -32.6312 -32.6312 -7.3713 -7.3713 -7.3415 -7.3415 -6.8489 -6.8489 -6.5278 -6.5278 -6.4415 -6.4415 -4.4494 -4.4494 -4.4284 -4.4284 -4.3695 -4.3695 3.4097 3.4097 4.7368 4.7368 4.9720 4.9720 5.1825 5.1825 5.5622 5.5622 5.6520 5.6520 6.2502 6.2502 9.3081 9.3081 9.3524 9.3524 9.4395 9.4395 11.3058 11.3058 11.4469 11.4469 11.5040 11.5040 14.5422 14.5422 14.6502 14.6502 14.8824 14.8824 k = 0.3661 0.5000 0.3661 ( 5232 PWs) bands (ev): -61.6072 -61.6072 -33.6160 -33.6160 -32.6319 -32.6319 -32.6310 -32.6310 -7.3708 -7.3708 -7.3367 -7.3367 -6.8509 -6.8509 -6.5425 -6.5425 -6.4449 -6.4449 -4.4547 -4.4547 -4.4311 -4.4311 -4.3745 -4.3745 3.3518 3.3518 4.7654 4.7654 5.0061 5.0061 5.2217 5.2217 5.5854 5.5854 5.6794 5.6794 6.3738 6.3738 9.2797 9.2797 9.3228 9.3228 9.4259 9.4259 11.2843 11.2843 11.4393 11.4393 11.4998 11.4998 14.4745 14.4745 14.5960 14.5960 14.8564 14.8564 k = 0.3571 0.5000 0.3571 ( 5224 PWs) bands (ev): -61.6066 -61.6066 -33.6158 -33.6158 -32.6318 -32.6318 -32.6307 -32.6307 -7.3704 -7.3704 -7.3317 -7.3317 -6.8531 -6.8531 -6.5578 -6.5578 -6.4486 -6.4486 -4.4602 -4.4602 -4.4340 -4.4340 -4.3797 -4.3797 3.2970 3.2970 4.7945 4.7945 5.0416 5.0416 5.2615 5.2615 5.6136 5.6136 5.7087 5.7087 6.4978 6.4978 9.2502 9.2502 9.2905 9.2905 9.4113 9.4113 11.2621 11.2621 11.4355 11.4355 11.4972 11.4972 14.4054 14.4054 14.5399 14.5399 14.8290 14.8290 k = 0.3482 0.5000 0.3482 ( 5232 PWs) bands (ev): -61.6073 -61.6073 -33.6158 -33.6158 -32.6319 -32.6319 -32.6305 -32.6305 -7.3702 -7.3702 -7.3266 -7.3266 -6.8553 -6.8553 -6.5736 -6.5736 -6.4524 -6.4524 -4.4659 -4.4659 -4.4371 -4.4371 -4.3848 -4.3848 3.2452 3.2452 4.8236 4.8236 5.0783 5.0783 5.3010 5.3010 5.6467 5.6467 5.7384 5.7384 6.6212 6.6212 9.2198 9.2198 9.2553 9.2553 9.3956 9.3956 11.2377 11.2377 11.4307 11.4307 11.4930 11.4930 14.3289 14.3289 14.4820 14.4820 14.7959 14.7959 k = 0.3393 0.5000 0.3393 ( 5228 PWs) bands (ev): -61.6070 -61.6070 -33.6157 -33.6157 -32.6318 -32.6318 -32.6303 -32.6303 -7.3701 -7.3701 -7.3213 -7.3213 -6.8577 -6.8577 -6.5898 -6.5898 -6.4564 -6.4564 -4.4716 -4.4716 -4.4402 -4.4402 -4.3901 -4.3901 3.1964 3.1964 4.8527 4.8527 5.1163 5.1163 5.3399 5.3399 5.6872 5.6872 5.7702 5.7702 6.7441 6.7441 9.1886 9.1886 9.2176 9.2176 9.3788 9.3788 11.2124 11.2124 11.4291 11.4291 11.4904 11.4904 14.2526 14.2526 14.4229 14.4229 14.7650 14.7650 k = 0.3304 0.5000 0.3304 ( 5240 PWs) bands (ev): -61.6080 -61.6080 -33.6157 -33.6157 -32.6319 -32.6319 -32.6303 -32.6303 -7.3701 -7.3701 -7.3159 -7.3159 -6.8602 -6.8602 -6.6062 -6.6062 -6.4606 -6.4606 -4.4774 -4.4774 -4.4435 -4.4435 -4.3953 -4.3953 3.1507 3.1507 4.8811 4.8811 5.1556 5.1556 5.3772 5.3772 5.7343 5.7343 5.8019 5.8019 6.8658 6.8658 9.1565 9.1565 9.1775 9.1775 9.3609 9.3609 11.1818 11.1818 11.4280 11.4280 11.4876 11.4876 14.1687 14.1687 14.3626 14.3626 14.7301 14.7301 k = 0.3214 0.5000 0.3214 ( 5234 PWs) bands (ev): -61.6076 -61.6076 -33.6155 -33.6155 -32.6318 -32.6318 -32.6300 -32.6300 -7.3704 -7.3704 -7.3103 -7.3103 -6.8630 -6.8630 -6.6227 -6.6227 -6.4649 -6.4649 -4.4832 -4.4832 -4.4470 -4.4470 -4.4005 -4.4005 3.1080 3.1080 4.9088 4.9088 5.1962 5.1962 5.4140 5.4140 5.7889 5.7889 5.8362 5.8362 6.9861 6.9861 9.1228 9.1228 9.1365 9.1365 9.3418 9.3418 11.1543 11.1543 11.4297 11.4297 11.4865 11.4865 14.0875 14.0875 14.3017 14.3017 14.6966 14.6966 k = 0.3125 0.5000 0.3125 ( 5224 PWs) bands (ev): -61.6069 -61.6069 -33.6153 -33.6153 -32.6316 -32.6316 -32.6296 -32.6296 -7.3709 -7.3709 -7.3047 -7.3047 -6.8661 -6.8661 -6.6391 -6.6391 -6.4695 -6.4695 -4.4889 -4.4889 -4.4506 -4.4506 -4.4056 -4.4056 3.0684 3.0684 4.9356 4.9356 5.2383 5.2383 5.4508 5.4508 5.8501 5.8501 5.8709 5.8709 7.1043 7.1043 9.0837 9.0837 9.0986 9.0986 9.3216 9.3216 11.1297 11.1297 11.4325 11.4325 11.4869 11.4869 14.0017 14.0017 14.2402 14.2402 14.6627 14.6627 k = 0.3036 0.5000 0.3036 ( 5216 PWs) bands (ev): -61.6063 -61.6063 -33.6151 -33.6151 -32.6314 -32.6314 -32.6293 -32.6293 -7.3717 -7.3717 -7.2991 -7.2991 -6.8695 -6.8695 -6.6554 -6.6554 -6.4741 -6.4741 -4.4946 -4.4946 -4.4543 -4.4543 -4.4106 -4.4106 3.0317 3.0317 4.9607 4.9607 5.2817 5.2817 5.4870 5.4870 5.9070 5.9070 5.9174 5.9174 7.2198 7.2198 9.0386 9.0386 9.0651 9.0651 9.3002 9.3002 11.1000 11.1000 11.4365 11.4365 11.4896 11.4896 13.9167 13.9167 14.1783 14.1783 14.6256 14.6256 k = 0.2946 0.5000 0.2946 ( 5216 PWs) bands (ev): -61.6064 -61.6064 -33.6150 -33.6150 -32.6314 -32.6314 -32.6291 -32.6291 -7.3727 -7.3727 -7.2934 -7.2934 -6.8733 -6.8733 -6.6713 -6.6713 -6.4789 -6.4789 -4.5001 -4.5001 -4.4581 -4.4581 -4.4156 -4.4156 2.9980 2.9980 4.9841 4.9841 5.3263 5.3263 5.5237 5.5237 5.9440 5.9440 5.9899 5.9899 7.3315 7.3315 8.9912 8.9912 9.0331 9.0331 9.2777 9.2777 11.0694 11.0694 11.4386 11.4386 11.4923 11.4923 13.8276 13.8276 14.1162 14.1162 14.5868 14.5868 k = 0.2857 0.5000 0.2857 ( 5216 PWs) bands (ev): -61.6064 -61.6064 -33.6148 -33.6148 -32.6313 -32.6313 -32.6289 -32.6289 -7.3740 -7.3740 -7.2876 -7.2876 -6.8778 -6.8778 -6.6866 -6.6866 -6.4839 -6.4839 -4.5055 -4.5055 -4.4620 -4.4620 -4.4205 -4.4205 2.9673 2.9673 5.0055 5.0055 5.3721 5.3721 5.5614 5.5614 5.9817 5.9817 6.0673 6.0673 7.4386 7.4386 8.9433 8.9433 9.0019 9.0019 9.2540 9.2540 11.0382 11.0382 11.4401 11.4401 11.4971 11.4971 13.7371 13.7371 14.0540 14.0540 14.5469 14.5469 k = 0.2768 0.5000 0.2768 ( 5212 PWs) bands (ev): -61.6061 -61.6061 -33.6147 -33.6147 -32.6312 -32.6312 -32.6286 -32.6286 -7.3755 -7.3755 -7.2819 -7.2819 -6.8829 -6.8829 -6.7011 -6.7011 -6.4889 -6.4889 -4.5106 -4.5106 -4.4659 -4.4659 -4.4252 -4.4252 2.9394 2.9394 5.0250 5.0250 5.4194 5.4194 5.6006 5.6006 6.0201 6.0201 6.1491 6.1491 7.5400 7.5400 8.8962 8.8962 8.9715 8.9715 9.2292 9.2292 11.0063 11.0063 11.4421 11.4421 11.5050 11.5050 13.6461 13.6461 13.9920 13.9920 14.5061 14.5061 k = 0.2679 0.5000 0.2679 ( 5212 PWs) bands (ev): -61.6061 -61.6061 -33.6146 -33.6146 -32.6311 -32.6311 -32.6284 -32.6284 -7.3774 -7.3774 -7.2762 -7.2762 -6.8890 -6.8890 -6.7146 -6.7146 -6.4941 -6.4941 -4.5156 -4.5156 -4.4700 -4.4700 -4.4298 -4.4298 2.9144 2.9144 5.0424 5.0424 5.4677 5.4677 5.6412 5.6412 6.0593 6.0593 6.2348 6.2348 7.6337 7.6337 8.8516 8.8516 8.9421 8.9421 9.2032 9.2032 10.9726 10.9726 11.4417 11.4417 11.5138 11.5138 13.5546 13.5546 13.9300 13.9300 14.4644 14.4644 k = 0.2589 0.5000 0.2589 ( 5212 PWs) bands (ev): -61.6062 -61.6062 -33.6144 -33.6144 -32.6311 -32.6311 -32.6281 -32.6281 -7.3796 -7.3796 -7.2705 -7.2705 -6.8961 -6.8961 -6.7267 -6.7267 -6.4994 -6.4994 -4.5203 -4.5203 -4.4741 -4.4741 -4.4343 -4.4343 2.8921 2.8921 5.0578 5.0578 5.5173 5.5173 5.6838 5.6838 6.0986 6.0986 6.3238 6.3238 7.7177 7.7177 8.8118 8.8118 8.9137 8.9137 9.1761 9.1761 10.9398 10.9398 11.4410 11.4410 11.5238 11.5238 13.4609 13.4609 13.8680 13.8680 14.4217 14.4217 k = 0.2500 0.5000 0.2500 ( 5244 PWs) bands (ev): -61.6085 -61.6085 -33.6147 -33.6147 -32.6314 -32.6314 -32.6283 -32.6283 -7.3821 -7.3821 -7.2648 -7.2648 -6.9044 -6.9044 -6.7374 -6.7374 -6.5048 -6.5048 -4.5247 -4.5247 -4.4783 -4.4783 -4.4385 -4.4385 2.8725 2.8725 5.0704 5.0704 5.5675 5.5675 5.7271 5.7271 6.1371 6.1371 6.4151 6.4151 7.7883 7.7883 8.7796 8.7796 8.8866 8.8866 9.1478 9.1478 10.9000 10.9000 11.4350 11.4350 11.5317 11.5317 13.3622 13.3622 13.8056 13.8056 14.3723 14.3723 k = 0.2411 0.5000 0.2411 ( 5216 PWs) bands (ev): -61.6065 -61.6065 -33.6142 -33.6142 -32.6310 -32.6310 -32.6277 -32.6277 -7.3849 -7.3849 -7.2592 -7.2592 -6.9139 -6.9139 -6.7465 -6.7465 -6.5102 -6.5102 -4.5289 -4.5289 -4.4824 -4.4824 -4.4426 -4.4426 2.8557 2.8557 5.0827 5.0827 5.6196 5.6196 5.7735 5.7735 6.1777 6.1777 6.5106 6.5106 7.8445 7.8445 8.7586 8.7586 8.8612 8.8612 9.1185 9.1185 10.8710 10.8710 11.4369 11.4369 11.5471 11.5471 13.2722 13.2722 13.7439 13.7439 14.3331 14.3331 k = 0.2321 0.5000 0.2321 ( 5216 PWs) bands (ev): -61.6065 -61.6065 -33.6141 -33.6141 -32.6310 -32.6310 -32.6275 -32.6275 -7.3880 -7.3880 -7.2537 -7.2537 -6.9246 -6.9246 -6.7539 -6.7539 -6.5157 -6.5157 -4.5328 -4.5328 -4.4866 -4.4866 -4.4466 -4.4466 2.8414 2.8414 5.0927 5.0927 5.6723 5.6723 5.8208 5.8208 6.2172 6.2172 6.6077 6.6077 7.8804 7.8804 8.7520 8.7520 8.8375 8.8375 9.0881 9.0881 10.8371 10.8371 11.4353 11.4353 11.5580 11.5580 13.1767 13.1767 13.6814 13.6814 14.2891 14.2891 k = 0.2232 0.5000 0.2232 ( 5224 PWs) bands (ev): -61.6072 -61.6072 -33.6141 -33.6141 -32.6310 -32.6310 -32.6274 -32.6274 -7.3914 -7.3914 -7.2483 -7.2483 -6.9363 -6.9363 -6.7598 -6.7598 -6.5213 -6.5213 -4.5364 -4.5364 -4.4907 -4.4907 -4.4503 -4.4503 2.8295 2.8295 5.1013 5.1013 5.7259 5.7259 5.8692 5.8692 6.2560 6.2560 6.7070 6.7070 7.8944 7.8944 8.7617 8.7617 8.8159 8.8159 9.0566 9.0566 10.8021 10.8021 11.4331 11.4331 11.5658 11.5658 13.0791 13.0791 13.6183 13.6183 14.2449 14.2449 k = 0.2143 0.5000 0.2143 ( 5228 PWs) bands (ev): -61.6075 -61.6075 -33.6140 -33.6140 -32.6310 -32.6310 -32.6272 -32.6272 -7.3951 -7.3951 -7.2430 -7.2430 -6.9489 -6.9489 -6.7643 -6.7643 -6.5269 -6.5269 -4.5398 -4.5398 -4.4948 -4.4948 -4.4539 -4.4539 2.8201 2.8201 5.1085 5.1085 5.7801 5.7801 5.9188 5.9188 6.2948 6.2948 6.8081 6.8081 7.8878 7.8878 8.7837 8.7837 8.8004 8.8004 9.0242 9.0242 10.7678 10.7678 11.4306 11.4306 11.5732 11.5732 12.9838 12.9838 13.5544 13.5544 14.2003 14.2003 k = 0.2054 0.5000 0.2054 ( 5224 PWs) bands (ev): -61.6073 -61.6073 -33.6138 -33.6138 -32.6309 -32.6309 -32.6269 -32.6269 -7.3989 -7.3989 -7.2378 -7.2378 -6.9622 -6.9622 -6.7674 -6.7674 -6.5326 -6.5326 -4.5429 -4.5429 -4.4988 -4.4988 -4.4572 -4.4572 2.8131 2.8131 5.1148 5.1148 5.8351 5.8351 5.9692 5.9692 6.3331 6.3331 6.9109 6.9109 7.8637 7.8637 8.7758 8.7758 8.8309 8.8309 8.9908 8.9908 10.7339 10.7339 11.4290 11.4290 11.5814 11.5814 12.8898 12.8898 13.4897 13.4897 14.1568 14.1568 k = 0.1964 0.5000 0.1964 ( 5226 PWs) bands (ev): -61.6075 -61.6075 -33.6137 -33.6137 -32.6309 -32.6309 -32.6267 -32.6267 -7.4030 -7.4030 -7.2329 -7.2329 -6.9759 -6.9759 -6.7695 -6.7695 -6.5382 -6.5382 -4.5458 -4.5458 -4.5026 -4.5026 -4.4604 -4.4604 2.8082 2.8082 5.1201 5.1201 5.8903 5.8903 6.0201 6.0201 6.3706 6.3706 7.0152 7.0152 7.8251 7.8251 8.7611 8.7611 8.8806 8.8806 8.9566 8.9566 10.6993 10.6993 11.4255 11.4255 11.5866 11.5866 12.7958 12.7958 13.4241 13.4241 14.1136 14.1136 k = 0.1875 0.5000 0.1875 ( 5226 PWs) bands (ev): -61.6075 -61.6075 -33.6136 -33.6136 -32.6309 -32.6309 -32.6265 -32.6265 -7.4073 -7.4073 -7.2281 -7.2281 -6.9899 -6.9899 -6.7706 -6.7706 -6.5439 -6.5439 -4.5486 -4.5486 -4.5063 -4.5063 -4.4634 -4.4634 2.8054 2.8054 5.1244 5.1244 5.9461 5.9461 6.0714 6.0714 6.4070 6.4070 7.1204 7.1204 7.7763 7.7763 8.7484 8.7484 8.9215 8.9215 8.9376 8.9376 10.6646 10.6646 11.4238 11.4238 11.5905 11.5905 12.7014 12.7014 13.3571 13.3571 14.0704 14.0704 k = 0.1786 0.5000 0.1786 ( 5230 PWs) bands (ev): -61.6078 -61.6078 -33.6136 -33.6136 -32.6308 -32.6308 -32.6263 -32.6263 -7.4117 -7.4117 -7.2236 -7.2236 -7.0038 -7.0038 -6.7709 -6.7709 -6.5496 -6.5496 -4.5511 -4.5511 -4.5098 -4.5098 -4.4661 -4.4661 2.8046 2.8046 5.1278 5.1278 6.0020 6.0020 6.1228 6.1228 6.4419 6.4419 7.2264 7.2264 7.7204 7.7204 8.7381 8.7381 8.8857 8.8857 8.9983 8.9983 10.6303 10.6303 11.4213 11.4213 11.5922 11.5922 12.6056 12.6056 13.2890 13.2890 14.0276 14.0276 k = 0.1696 0.5000 0.1696 ( 5234 PWs) bands (ev): -61.6082 -61.6082 -33.6135 -33.6135 -32.6308 -32.6308 -32.6262 -32.6262 -7.4162 -7.4162 -7.2193 -7.2193 -7.0176 -7.0176 -6.7706 -6.7706 -6.5553 -6.5553 -4.5535 -4.5535 -4.5131 -4.5131 -4.4687 -4.4687 2.8056 2.8056 5.1305 5.1305 6.0579 6.0579 6.1739 6.1739 6.4755 6.4755 7.3328 7.3328 7.6599 7.6599 8.7306 8.7306 8.8493 8.8493 9.0608 9.0608 10.5947 10.5947 11.4196 11.4196 11.5916 11.5916 12.5116 12.5116 13.2198 13.2198 13.9850 13.9850 k = 0.1607 0.5000 0.1607 ( 5234 PWs) bands (ev): -61.6082 -61.6082 -33.6134 -33.6134 -32.6308 -32.6308 -32.6260 -32.6260 -7.4207 -7.4207 -7.2154 -7.2154 -7.0310 -7.0310 -6.7697 -6.7697 -6.5609 -6.5609 -4.5558 -4.5558 -4.5162 -4.5162 -4.4710 -4.4710 2.8083 2.8083 5.1328 5.1328 6.1138 6.1138 6.2247 6.2247 6.5079 6.5079 7.4384 7.4384 7.5976 7.5976 8.7258 8.7258 8.8124 8.8124 9.1234 9.1234 10.5597 10.5597 11.4179 11.4179 11.5889 11.5889 12.4204 12.4204 13.1496 13.1496 13.9436 13.9436 k = 0.1518 0.5000 0.1518 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6132 -33.6132 -32.6307 -32.6307 -32.6257 -32.6257 -7.4253 -7.4253 -7.2119 -7.2119 -7.0439 -7.0439 -6.7683 -6.7683 -6.5665 -6.5665 -4.5581 -4.5581 -4.5189 -4.5189 -4.4732 -4.4732 2.8125 2.8125 5.1347 5.1347 6.1693 6.1693 6.2749 6.2749 6.5387 6.5387 7.5139 7.5139 7.5644 7.5644 8.7239 8.7239 8.7750 8.7750 9.1854 9.1854 10.5259 10.5259 11.4163 11.4163 11.5852 11.5852 12.3311 12.3311 13.0788 13.0788 13.9031 13.9031 k = 0.1429 0.5000 0.1429 ( 5238 PWs) bands (ev): -61.6085 -61.6085 -33.6132 -33.6132 -32.6307 -32.6307 -32.6256 -32.6256 -7.4299 -7.4299 -7.2088 -7.2088 -7.0562 -7.0562 -6.7666 -6.7666 -6.5721 -6.5721 -4.5603 -4.5603 -4.5215 -4.5215 -4.4751 -4.4751 2.8181 2.8181 5.1359 5.1359 6.2243 6.2243 6.3240 6.3240 6.5674 6.5674 7.4595 7.4595 7.6593 7.6593 8.7243 8.7243 8.7376 8.7376 9.2455 9.2455 10.4903 10.4903 11.4141 11.4141 11.5760 11.5760 12.2416 12.2416 13.0075 13.0075 13.8625 13.8625 k = 0.1339 0.5000 0.1339 ( 5234 PWs) bands (ev): -61.6082 -61.6082 -33.6131 -33.6131 -32.6306 -32.6306 -32.6254 -32.6254 -7.4345 -7.4345 -7.2062 -7.2062 -7.0676 -7.0676 -6.7645 -6.7645 -6.5776 -6.5776 -4.5624 -4.5624 -4.5237 -4.5237 -4.4769 -4.4769 2.8248 2.8248 5.1371 5.1371 6.2787 6.2787 6.3720 6.3720 6.5946 6.5946 7.3951 7.3951 7.7649 7.7649 8.6993 8.6993 8.7283 8.7283 9.3036 9.3036 10.4555 10.4555 11.4136 11.4136 11.5674 11.5674 12.1569 12.1569 12.9364 12.9364 13.8239 13.8239 k = 0.1250 0.5000 0.1250 ( 5238 PWs) bands (ev): -61.6085 -61.6085 -33.6130 -33.6130 -32.6306 -32.6306 -32.6253 -32.6253 -7.4389 -7.4389 -7.2042 -7.2042 -7.0780 -7.0780 -6.7622 -6.7622 -6.5830 -6.5830 -4.5645 -4.5645 -4.5256 -4.5256 -4.4784 -4.4784 2.8326 2.8326 5.1376 5.1376 6.3320 6.3320 6.4184 6.4184 6.6197 6.6197 7.3311 7.3311 7.8704 7.8704 8.6617 8.6617 8.7342 8.7342 9.3593 9.3593 10.4173 10.4173 11.4119 11.4119 11.5573 11.5573 12.0735 12.0735 12.8659 12.8659 13.7857 13.7857 k = 0.1161 0.5000 0.1161 ( 5242 PWs) bands (ev): -61.6088 -61.6088 -33.6130 -33.6130 -32.6306 -32.6306 -32.6252 -32.6252 -7.4433 -7.4433 -7.2029 -7.2029 -7.0874 -7.0874 -6.7598 -6.7598 -6.5882 -6.5882 -4.5666 -4.5666 -4.5273 -4.5273 -4.4797 -4.4797 2.8412 2.8412 5.1380 5.1380 6.3839 6.3839 6.4632 6.4632 6.6427 6.6427 7.2685 7.2685 7.9749 7.9749 8.6242 8.6242 8.7425 8.7425 9.4121 9.4121 10.3809 10.3809 11.4097 11.4097 11.5451 11.5451 11.9915 11.9915 12.7963 12.7963 13.7493 13.7493 k = 0.1071 0.5000 0.1071 ( 5234 PWs) bands (ev): -61.6083 -61.6083 -33.6128 -33.6128 -32.6305 -32.6305 -32.6249 -32.6249 -7.4474 -7.4474 -7.2023 -7.2023 -7.0956 -7.0956 -6.7571 -6.7571 -6.5934 -6.5934 -4.5687 -4.5687 -4.5288 -4.5288 -4.4808 -4.4808 2.8503 2.8503 5.1388 5.1388 6.4344 6.4344 6.5060 6.5060 6.6639 6.6639 7.2085 7.2085 8.0781 8.0781 8.5872 8.5872 8.7530 8.7530 9.4620 9.4620 10.3482 10.3482 11.4077 11.4077 11.5331 11.5331 11.9151 11.9151 12.7285 12.7285 13.7156 13.7156 k = 0.0982 0.5000 0.0982 ( 5238 PWs) bands (ev): -61.6086 -61.6086 -33.6128 -33.6128 -32.6306 -32.6306 -32.6248 -32.6248 -7.4514 -7.4514 -7.2025 -7.2025 -7.1025 -7.1025 -6.7544 -6.7544 -6.5984 -6.5984 -4.5707 -4.5707 -4.5300 -4.5300 -4.4818 -4.4818 2.8598 2.8598 5.1385 5.1385 6.4829 6.4829 6.5466 6.5466 6.6831 6.6831 7.1513 7.1513 8.1789 8.1789 8.5509 8.5509 8.7653 8.7653 9.5087 9.5087 10.3111 10.3111 11.4056 11.4056 11.5195 11.5195 11.8419 11.8419 12.6625 12.6625 13.6800 13.6800 k = 0.0893 0.5000 0.0893 ( 5234 PWs) bands (ev): -61.6083 -61.6083 -33.6127 -33.6127 -32.6305 -32.6305 -32.6246 -32.6246 -7.4551 -7.4551 -7.2035 -7.2035 -7.1082 -7.1082 -6.7517 -6.7517 -6.6031 -6.6031 -4.5726 -4.5726 -4.5311 -4.5311 -4.4825 -4.4825 2.8695 2.8695 5.1386 5.1386 6.5292 6.5292 6.5847 6.5847 6.7004 6.7004 7.0977 7.0977 8.2770 8.2770 8.5157 8.5157 8.7789 8.7789 9.5520 9.5520 10.2746 10.2746 11.4052 11.4052 11.5063 11.5063 11.7730 11.7730 12.5997 12.5997 13.6491 13.6491 k = 0.0804 0.5000 0.0804 ( 5232 PWs) bands (ev): -61.6081 -61.6081 -33.6126 -33.6126 -32.6305 -32.6305 -32.6244 -32.6244 -7.4586 -7.4586 -7.2051 -7.2051 -7.1126 -7.1126 -6.7489 -6.7489 -6.6077 -6.6077 -4.5744 -4.5744 -4.5320 -4.5320 -4.4832 -4.4832 2.8791 2.8791 5.1387 5.1387 6.5725 6.5725 6.6200 6.6200 6.7157 6.7157 7.0481 7.0481 8.3718 8.3718 8.4820 8.4820 8.7936 8.7936 9.5918 9.5918 10.2377 10.2377 11.4023 11.4023 11.4928 11.4928 11.7103 11.7103 12.5404 12.5404 13.6204 13.6204 k = 0.0714 0.5000 0.0714 ( 5228 PWs) bands (ev): -61.6078 -61.6078 -33.6125 -33.6125 -32.6304 -32.6304 -32.6243 -32.6243 -7.4618 -7.4618 -7.2073 -7.2073 -7.1159 -7.1159 -6.7462 -6.7462 -6.6120 -6.6120 -4.5761 -4.5761 -4.5328 -4.5328 -4.4836 -4.4836 2.8885 2.8885 5.1387 5.1387 6.6124 6.6124 6.6524 6.6524 6.7293 6.7293 7.0035 7.0035 8.4489 8.4489 8.4634 8.4634 8.8088 8.8088 9.6280 9.6280 10.2003 10.2003 11.3996 11.3996 11.4817 11.4818 11.6513 11.6513 12.4852 12.4852 13.5947 13.5947 k = 0.0625 0.5000 0.0625 ( 5238 PWs) bands (ev): -61.6085 -61.6085 -33.6126 -33.6126 -32.6305 -32.6305 -32.6243 -32.6243 -7.4647 -7.4647 -7.2098 -7.2098 -7.1182 -7.1182 -6.7436 -6.7436 -6.6160 -6.6160 -4.5776 -4.5776 -4.5334 -4.5334 -4.4840 -4.4840 2.8973 2.8973 5.1384 5.1384 6.6479 6.6479 6.6813 6.6813 6.7412 6.7412 6.9635 6.9635 8.4197 8.4197 8.5480 8.5480 8.8240 8.8240 9.6603 9.6603 10.1624 10.1624 11.3936 11.3936 11.4676 11.4676 11.5972 11.5972 12.4345 12.4345 13.5693 13.5693 k = 0.0536 0.5000 0.0536 ( 5234 PWs) bands (ev): -61.6082 -61.6082 -33.6125 -33.6125 -32.6304 -32.6304 -32.6242 -32.6242 -7.4672 -7.4672 -7.2124 -7.2124 -7.1199 -7.1199 -6.7412 -6.7412 -6.6196 -6.6196 -4.5790 -4.5790 -4.5339 -4.5339 -4.4843 -4.4843 2.9055 2.9055 5.1383 5.1383 6.6790 6.6790 6.7065 6.7065 6.7516 6.7516 6.9303 6.9303 8.3925 8.3925 8.6271 8.6271 8.8387 8.8387 9.6888 9.6888 10.1270 10.1270 11.3901 11.3901 11.4578 11.4578 11.5507 11.5507 12.3894 12.3894 13.5486 13.5486 k = 0.0446 0.5000 0.0446 ( 5238 PWs) bands (ev): -61.6085 -61.6085 -33.6125 -33.6125 -32.6305 -32.6305 -32.6241 -32.6241 -7.4694 -7.4694 -7.2149 -7.2149 -7.1210 -7.1210 -6.7389 -6.7389 -6.6229 -6.6229 -4.5802 -4.5802 -4.5344 -4.5344 -4.4844 -4.4844 2.9128 2.9128 5.1380 5.1380 6.7046 6.7046 6.7269 6.7269 6.7607 6.7607 6.9033 6.9033 8.3683 8.3683 8.6985 8.6985 8.8526 8.8526 9.7131 9.7131 10.0949 10.0949 11.3848 11.3848 11.4454 11.4454 11.5105 11.5105 12.3499 12.3499 13.5292 13.5292 k = 0.0357 0.5000 0.0357 ( 5234 PWs) bands (ev): -61.6082 -61.6082 -33.6124 -33.6124 -32.6304 -32.6304 -32.6240 -32.6240 -7.4712 -7.4712 -7.2172 -7.2172 -7.1216 -7.1216 -6.7370 -6.7370 -6.6256 -6.6256 -4.5812 -4.5812 -4.5347 -4.5347 -4.4846 -4.4846 2.9189 2.9189 5.1380 5.1380 6.7246 6.7246 6.7420 6.7420 6.7689 6.7689 6.8845 6.8845 8.3477 8.3477 8.7602 8.7602 8.8653 8.8653 9.7333 9.7333 10.0638 10.0638 11.3815 11.3815 11.4330 11.4330 11.4823 11.4823 12.3173 12.3173 13.5158 13.5158 k = 0.0268 0.5000 0.0268 ( 5234 PWs) bands (ev): -61.6082 -61.6082 -33.6124 -33.6124 -32.6304 -32.6304 -32.6240 -32.6240 -7.4726 -7.4726 -7.2191 -7.2191 -7.1221 -7.1221 -6.7354 -6.7354 -6.6278 -6.6278 -4.5819 -4.5819 -4.5350 -4.5350 -4.4846 -4.4846 2.9239 2.9239 5.1382 5.1382 6.7381 6.7381 6.7514 6.7514 6.7758 6.7758 6.8733 6.8733 8.3311 8.3311 8.8101 8.8101 8.8769 8.8769 9.7491 9.7491 10.0376 10.0376 11.3767 11.3767 11.4171 11.4171 11.4644 11.4644 12.2915 12.2915 13.5061 13.5061 k = 0.0179 0.5000 0.0179 ( 5242 PWs) bands (ev): -61.6088 -61.6088 -33.6125 -33.6125 -32.6304 -32.6304 -32.6241 -32.6241 -7.4737 -7.4737 -7.2206 -7.2206 -7.1223 -7.1223 -6.7342 -6.7342 -6.6295 -6.6295 -4.5825 -4.5825 -4.5352 -4.5352 -4.4847 -4.4847 2.9276 2.9276 5.1379 5.1379 6.7453 6.7453 6.7569 6.7569 6.7813 6.7813 6.8687 6.8687 8.3189 8.3189 8.8449 8.8449 8.8880 8.8880 9.7605 9.7605 10.0131 10.0131 11.3729 11.3729 11.4028 11.4028 11.4548 11.4548 12.2726 12.2726 13.4969 13.4969 k = 0.0089 0.5000 0.0089 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6123 -33.6123 -32.6303 -32.6303 -32.6239 -32.6239 -7.4743 -7.4743 -7.2214 -7.2214 -7.1224 -7.1224 -6.7335 -6.7335 -6.6304 -6.6304 -4.5828 -4.5828 -4.5353 -4.5353 -4.4847 -4.4847 2.9298 2.9298 5.1382 5.1382 6.7478 6.7478 6.7602 6.7602 6.7850 6.7850 6.8681 6.8681 8.3115 8.3115 8.8632 8.8632 8.8985 8.8985 9.7674 9.7674 10.0021 10.0021 11.3722 11.3722 11.3963 11.3963 11.4525 11.4525 12.2613 12.2613 13.4927 13.4927 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -61.6079 -61.6079 -33.6123 -33.6123 -32.6303 -32.6303 -32.6239 -32.6239 -7.4745 -7.4745 -7.2217 -7.2217 -7.1224 -7.1224 -6.7333 -6.7333 -6.6308 -6.6308 -4.5829 -4.5829 -4.5353 -4.5353 -4.4847 -4.4847 2.9306 2.9306 5.1381 5.1381 6.7482 6.7482 6.7614 6.7614 6.7863 6.7863 6.8681 6.8681 8.3090 8.3090 8.8683 8.8683 8.9031 8.9031 9.7697 9.7697 9.9975 9.9975 11.3715 11.3715 11.3929 11.3929 11.4512 11.4512 12.2575 12.2575 13.4909 13.4909 k = 0.5000 0.5000-0.0000 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6147 -33.6147 -32.6330 -32.6330 -32.6269 -32.6269 -7.4586 -7.4586 -7.1210 -7.1210 -6.7328 -6.7328 -6.7268 -6.7268 -6.7229 -6.7229 -4.5657 -4.5657 -4.5326 -4.5326 -4.4064 -4.4064 2.4765 2.4765 4.8881 4.8881 5.4519 5.4519 6.9289 6.9289 7.1409 7.1409 7.2449 7.2449 7.2570 7.2570 7.3157 7.3157 8.1594 8.1594 9.5596 9.5596 11.4418 11.4418 11.4703 11.4703 11.9621 11.9621 12.2319 12.2319 13.5051 13.5051 15.0629 15.0629 k = 0.5000 0.5000 0.0125 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6147 -33.6147 -32.6330 -32.6330 -32.6270 -32.6270 -7.4584 -7.4584 -7.1217 -7.1217 -6.7390 -6.7390 -6.7221 -6.7221 -6.7203 -6.7203 -4.5655 -4.5655 -4.5323 -4.5323 -4.4063 -4.4063 2.4778 2.4778 4.8879 4.8879 5.4519 5.4519 6.9010 6.9010 7.0880 7.0880 7.2734 7.2734 7.3063 7.3063 7.3148 7.3148 8.1554 8.1554 9.5596 9.5596 11.4414 11.4414 11.4694 11.4694 11.9601 11.9601 12.2377 12.2377 13.5087 13.5087 15.0629 15.0629 k = 0.5000 0.5000 0.0250 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6148 -33.6148 -32.6329 -32.6329 -32.6270 -32.6270 -7.4577 -7.4577 -7.1237 -7.1237 -6.7474 -6.7474 -6.7199 -6.7199 -6.7115 -6.7115 -4.5647 -4.5647 -4.5315 -4.5315 -4.4062 -4.4062 2.4817 2.4817 4.8874 4.8874 5.4520 5.4520 6.8356 6.8356 7.0017 7.0017 7.2959 7.2959 7.3403 7.3403 7.3984 7.3984 8.1436 8.1436 9.5594 9.5594 11.4401 11.4401 11.4670 11.4670 11.9541 11.9541 12.2550 12.2550 13.5193 13.5193 15.0629 15.0629 k = 0.5000 0.5000 0.0375 ( 5248 PWs) bands (ev): -61.6092 -61.6092 -33.6148 -33.6148 -32.6329 -32.6329 -32.6270 -32.6270 -7.4566 -7.4566 -7.1271 -7.1271 -6.7556 -6.7556 -6.7162 -6.7162 -6.7023 -6.7023 -4.5636 -4.5636 -4.5302 -4.5302 -4.4060 -4.4060 2.4883 2.4883 4.8865 4.8865 5.4521 5.4521 6.7548 6.7548 6.9111 6.9111 7.2723 7.2723 7.4235 7.4235 7.4908 7.4908 8.1239 8.1239 9.5591 9.5591 11.4379 11.4379 11.4629 11.4629 11.9444 11.9444 12.2835 12.2835 13.5366 13.5366 15.0630 15.0630 k = 0.5000 0.5000 0.0500 ( 5240 PWs) bands (ev): -61.6086 -61.6086 -33.6147 -33.6147 -32.6328 -32.6328 -32.6270 -32.6270 -7.4551 -7.4551 -7.1316 -7.1316 -6.7636 -6.7636 -6.7111 -6.7111 -6.6929 -6.6929 -4.5619 -4.5619 -4.5284 -4.5284 -4.4057 -4.4057 2.4976 2.4976 4.8852 4.8852 5.4530 5.4530 6.6681 6.6681 6.8203 6.8203 7.2398 7.2398 7.5138 7.5138 7.5848 7.5848 8.0966 8.0966 9.5588 9.5588 11.4364 11.4364 11.4587 11.4587 11.9315 11.9315 12.3231 12.3231 13.5603 13.5603 15.0662 15.0662 k = 0.5000 0.5000 0.0625 ( 5240 PWs) bands (ev): -61.6085 -61.6085 -33.6147 -33.6147 -32.6328 -32.6328 -32.6271 -32.6271 -7.4532 -7.4532 -7.1373 -7.1373 -6.7714 -6.7714 -6.7048 -6.7048 -6.6834 -6.6834 -4.5598 -4.5598 -4.5261 -4.5261 -4.4054 -4.4054 2.5094 2.5094 4.8835 4.8835 5.4532 5.4532 6.5792 6.5792 6.7296 6.7296 7.1990 7.1990 7.6069 7.6069 7.6790 7.6790 8.0618 8.0618 9.5583 9.5583 11.4328 11.4328 11.4518 11.4518 11.9158 11.9158 12.3725 12.3725 13.5897 13.5897 15.0663 15.0663 k = 0.5000 0.5000 0.0750 ( 5232 PWs) bands (ev): -61.6079 -61.6079 -33.6147 -33.6147 -32.6328 -32.6328 -32.6270 -32.6270 -7.4509 -7.4509 -7.1439 -7.1439 -6.7789 -6.7789 -6.6974 -6.6974 -6.6737 -6.6737 -4.5573 -4.5573 -4.5233 -4.5233 -4.4049 -4.4049 2.5239 2.5239 4.8821 4.8821 5.4534 5.4534 6.4897 6.4897 6.6399 6.6399 7.1509 7.1509 7.7012 7.7012 7.7731 7.7731 8.0202 8.0202 9.5578 9.5578 11.4294 11.4294 11.4444 11.4444 11.8979 11.8979 12.4354 12.4354 13.6243 13.6243 15.0664 15.0664 k = 0.5000 0.5000 0.0875 ( 5224 PWs) bands (ev): -61.6072 -61.6072 -33.6146 -33.6146 -32.6327 -32.6327 -32.6269 -32.6269 -7.4483 -7.4483 -7.1514 -7.1514 -6.7860 -6.7860 -6.6890 -6.6890 -6.6640 -6.6640 -4.5543 -4.5543 -4.5200 -4.5200 -4.4044 -4.4044 2.5411 2.5411 4.8798 4.8798 5.4537 5.4537 6.4005 6.4005 6.5513 6.5513 7.0960 7.0960 7.7947 7.7947 7.8669 7.8669 7.9730 7.9730 9.5571 9.5571 11.4268 11.4268 11.4373 11.4373 11.8792 11.8792 12.5034 12.5034 13.6634 13.6634 15.0665 15.0665 k = 0.5000 0.5000 0.1000 ( 5232 PWs) bands (ev): -61.6078 -61.6078 -33.6148 -33.6148 -32.6327 -32.6327 -32.6272 -32.6272 -7.4454 -7.4454 -7.1595 -7.1595 -6.7928 -6.7928 -6.6798 -6.6798 -6.6542 -6.6542 -4.5509 -4.5509 -4.5163 -4.5163 -4.4038 -4.4038 2.5609 2.5609 4.8765 4.8765 5.4539 5.4539 6.3118 6.3118 6.4635 6.4635 7.0349 7.0349 7.8724 7.8724 7.9340 7.9340 7.9595 7.9595 9.5564 9.5564 11.4197 11.4197 11.4253 11.4253 11.8582 11.8582 12.5769 12.5769 13.7064 13.7064 15.0663 15.0663 k = 0.5000 0.5000 0.1125 ( 5232 PWs) bands (ev): -61.6078 -61.6078 -33.6148 -33.6148 -32.6327 -32.6327 -32.6274 -32.6274 -7.4422 -7.4422 -7.1683 -7.1683 -6.7993 -6.7993 -6.6699 -6.6699 -6.6444 -6.6444 -4.5472 -4.5472 -4.5122 -4.5122 -4.4031 -4.4031 2.5833 2.5833 4.8730 4.8730 5.4543 5.4543 6.2243 6.2243 6.3773 6.3773 6.9689 6.9689 7.8426 7.8426 7.9958 7.9958 8.0514 8.0514 9.5556 9.5556 11.4142 11.4142 11.4145 11.4145 11.8368 11.8368 12.6591 12.6591 13.7526 13.7526 15.0664 15.0664 k = 0.5000 0.5000 0.1250 ( 5232 PWs) bands (ev): -61.6077 -61.6077 -33.6149 -33.6149 -32.6327 -32.6327 -32.6275 -32.6275 -7.4387 -7.4387 -7.1776 -7.1776 -6.8053 -6.8053 -6.6594 -6.6594 -6.6345 -6.6345 -4.5431 -4.5431 -4.5077 -4.5077 -4.4023 -4.4023 2.6083 2.6083 4.8690 4.8690 5.4549 5.4549 6.1380 6.1380 6.2926 6.2926 6.8986 6.8986 7.7766 7.7766 8.0868 8.0868 8.1419 8.1419 9.5547 9.5547 11.4033 11.4033 11.4085 11.4085 11.8150 11.8150 12.7474 12.7474 13.8017 13.8017 15.0674 15.0674 k = 0.5000 0.5000 0.1375 ( 5224 PWs) bands (ev): -61.6071 -61.6071 -33.6148 -33.6148 -32.6326 -32.6326 -32.6275 -32.6275 -7.4351 -7.4351 -7.1872 -7.1872 -6.8110 -6.8110 -6.6484 -6.6484 -6.6245 -6.6245 -4.5386 -4.5386 -4.5029 -4.5029 -4.4014 -4.4014 2.6361 2.6361 4.8646 4.8646 5.4554 5.4554 6.0536 6.0536 6.2099 6.2099 6.8251 6.8251 7.7029 7.7029 8.1790 8.1790 8.2314 8.2314 9.5537 9.5537 11.3942 11.3942 11.4053 11.4053 11.7938 11.7938 12.8409 12.8409 13.8530 13.8530 15.0678 15.0678 k = 0.5000 0.5000 0.1500 ( 5224 PWs) bands (ev): -61.6070 -61.6070 -33.6149 -33.6149 -32.6326 -32.6326 -32.6277 -32.6277 -7.4314 -7.4314 -7.1970 -7.1970 -6.8162 -6.8162 -6.6371 -6.6371 -6.6146 -6.6146 -4.5338 -4.5338 -4.4978 -4.4978 -4.4004 -4.4004 2.6664 2.6664 4.8595 4.8595 5.4558 5.4558 5.9707 5.9707 6.1286 6.1286 6.7489 6.7489 7.6233 7.6233 8.2700 8.2700 8.3189 8.3189 9.5527 9.5527 11.3829 11.3829 11.3999 11.3999 11.7727 11.7727 12.9386 12.9386 13.9062 13.9062 15.0679 15.0679 k = 0.5000 0.5000 0.1625 ( 5236 PWs) bands (ev): -61.6079 -61.6079 -33.6151 -33.6151 -32.6328 -32.6328 -32.6280 -32.6280 -7.4276 -7.4276 -7.2070 -7.2070 -6.8210 -6.8210 -6.6255 -6.6255 -6.6046 -6.6046 -4.5287 -4.5287 -4.4924 -4.4924 -4.3992 -4.3992 2.6993 2.6993 4.8537 4.8537 5.4550 5.4550 5.8895 5.8895 6.0491 6.0491 6.6705 6.6705 7.5381 7.5381 8.3594 8.3594 8.4046 8.4046 9.5516 9.5516 11.3716 11.3716 11.3946 11.3946 11.7497 11.7497 13.0376 13.0376 13.9608 13.9608 15.0637 15.0637 k = 0.5000 0.5000 0.1750 ( 5240 PWs) bands (ev): -61.6082 -61.6082 -33.6152 -33.6152 -32.6330 -32.6330 -32.6281 -32.6281 -7.4237 -7.4237 -7.2171 -7.2171 -6.8253 -6.8253 -6.6138 -6.6138 -6.5946 -6.5946 -4.5234 -4.5234 -4.4869 -4.4869 -4.3980 -4.3980 2.7349 2.7349 4.8479 4.8479 5.4543 5.4543 5.8101 5.8101 5.9714 5.9714 6.5923 6.5923 7.4488 7.4488 8.4468 8.4468 8.4879 8.4879 9.5504 9.5504 11.3585 11.3585 11.3873 11.3873 11.7301 11.7301 13.1473 13.1473 14.0164 14.0164 15.0596 15.0596 k = 0.5000 0.5000 0.1875 ( 5232 PWs) bands (ev): -61.6076 -61.6076 -33.6152 -33.6152 -32.6328 -32.6328 -32.6283 -32.6283 -7.4198 -7.4198 -7.2273 -7.2273 -6.8291 -6.8291 -6.6019 -6.6019 -6.5847 -6.5847 -4.5179 -4.5179 -4.4812 -4.4812 -4.3966 -4.3966 2.7732 2.7732 4.8407 4.8407 5.4549 5.4549 5.7330 5.7330 5.8960 5.8960 6.5131 6.5131 7.3558 7.3558 8.5321 8.5321 8.5691 8.5691 9.5492 9.5492 11.3490 11.3490 11.3837 11.3837 11.7156 11.7156 13.2552 13.2552 14.0730 14.0730 15.0600 15.0600 k = 0.5000 0.5000 0.2000 ( 5232 PWs) bands (ev): -61.6075 -61.6075 -33.6153 -33.6153 -32.6328 -32.6328 -32.6285 -32.6285 -7.4160 -7.4160 -7.2374 -7.2374 -6.8325 -6.8325 -6.5901 -6.5901 -6.5748 -6.5748 -4.5121 -4.5121 -4.4754 -4.4754 -4.3950 -4.3950 2.8140 2.8140 4.8326 4.8326 5.4554 5.4554 5.6581 5.6581 5.8228 5.8228 6.4339 6.4339 7.2585 7.2585 8.6149 8.6149 8.6478 8.6478 9.5480 9.5480 11.3404 11.3404 11.3809 11.3809 11.6975 11.6975 13.3628 13.3628 14.1300 14.1300 15.0601 15.0601 k = 0.5000 0.5000 0.2125 ( 5224 PWs) bands (ev): -61.6069 -61.6069 -33.6153 -33.6153 -32.6327 -32.6327 -32.6285 -32.6285 -7.4123 -7.4123 -7.2474 -7.2474 -6.8355 -6.8355 -6.5782 -6.5782 -6.5649 -6.5649 -4.5062 -4.5062 -4.4696 -4.4696 -4.3933 -4.3933 2.8575 2.8575 4.8238 4.8238 5.4560 5.4560 5.5856 5.5856 5.7520 5.7520 6.3558 6.3558 7.1579 7.1579 8.6951 8.6951 8.7237 8.7237 9.5467 9.5467 11.3354 11.3354 11.3815 11.3815 11.6809 11.6809 13.4719 13.4719 14.1874 14.1874 15.0606 15.0606 k = 0.5000 0.5000 0.2250 ( 5224 PWs) bands (ev): -61.6069 -61.6069 -33.6154 -33.6154 -32.6327 -32.6327 -32.6288 -32.6288 -7.4086 -7.4086 -7.2572 -7.2572 -6.8379 -6.8379 -6.5665 -6.5665 -6.5551 -6.5551 -4.5002 -4.5002 -4.4638 -4.4638 -4.3913 -4.3913 2.9036 2.9036 4.8139 4.8139 5.4566 5.4566 5.5154 5.5154 5.6833 5.6833 6.2789 6.2789 7.0544 7.0544 8.7721 8.7721 8.7966 8.7966 9.5454 9.5454 11.3294 11.3294 11.3808 11.3808 11.6649 11.6649 13.5806 13.5806 14.2447 14.2447 15.0607 15.0607 k = 0.5000 0.5000 0.2375 ( 5232 PWs) bands (ev): -61.6074 -61.6074 -33.6156 -33.6156 -32.6327 -32.6327 -32.6292 -32.6292 -7.4052 -7.4052 -7.2668 -7.2668 -6.8400 -6.8400 -6.5550 -6.5550 -6.5454 -6.5454 -4.4941 -4.4941 -4.4581 -4.4581 -4.3891 -4.3891 2.9522 2.9522 4.8026 4.8026 5.4475 5.4475 5.4570 5.4570 5.6169 5.6169 6.2036 6.2036 6.9484 6.9484 8.8457 8.8457 8.8662 8.8662 9.5441 9.5441 11.3237 11.3237 11.3801 11.3801 11.6498 11.6498 13.6851 13.6851 14.3018 14.3018 15.0607 15.0607 k = 0.5000 0.5000 0.2500 ( 5224 PWs) bands (ev): -61.6068 -61.6068 -33.6156 -33.6156 -32.6326 -32.6326 -32.6292 -32.6292 -7.4019 -7.4019 -7.2763 -7.2763 -6.8416 -6.8416 -6.5437 -6.5437 -6.5358 -6.5358 -4.4880 -4.4880 -4.4527 -4.4527 -4.3867 -4.3867 3.0035 3.0035 4.7910 4.7910 5.3824 5.3824 5.4576 5.4576 5.5534 5.5534 6.1315 6.1315 6.8402 6.8402 8.9160 8.9160 8.9325 8.9325 9.5428 9.5428 11.3226 11.3226 11.3838 11.3838 11.6359 11.6359 13.7945 13.7945 14.3584 14.3584 15.0612 15.0612 k = 0.5000 0.5000 0.2625 ( 5228 PWs) bands (ev): -61.6071 -61.6071 -33.6157 -33.6157 -32.6326 -32.6326 -32.6295 -32.6295 -7.3989 -7.3989 -7.2854 -7.2854 -6.8428 -6.8428 -6.5326 -6.5326 -6.5263 -6.5263 -4.4818 -4.4818 -4.4474 -4.4474 -4.3840 -4.3840 3.0573 3.0573 4.7777 4.7777 5.3197 5.3197 5.4582 5.4582 5.4922 5.4922 6.0613 6.0613 6.7303 6.7303 8.9825 8.9825 8.9952 8.9952 9.5415 9.5415 11.3215 11.3215 11.3871 11.3871 11.6230 11.6230 13.8973 13.8973 14.4144 14.4144 15.0613 15.0613 k = 0.5000 0.5000 0.2750 ( 5228 PWs) bands (ev): -61.6070 -61.6070 -33.6158 -33.6158 -32.6326 -32.6326 -32.6298 -32.6298 -7.3960 -7.3960 -7.2942 -7.2942 -6.8436 -6.8436 -6.5219 -6.5219 -6.5170 -6.5170 -4.4757 -4.4757 -4.4425 -4.4425 -4.3810 -4.3810 3.1136 3.1136 4.7636 4.7636 5.2598 5.2598 5.4337 5.4337 5.4587 5.4587 5.9950 5.9950 6.6189 6.6189 9.0451 9.0451 9.0543 9.0543 9.5402 9.5402 11.3223 11.3223 11.3918 11.3918 11.6111 11.6111 14.0011 14.0011 14.4695 14.4695 15.0615 15.0615 k = 0.5000 0.5000 0.2875 ( 5220 PWs) bands (ev): -61.6064 -61.6064 -33.6158 -33.6158 -32.6325 -32.6325 -32.6299 -32.6299 -7.3934 -7.3934 -7.3027 -7.3027 -6.8440 -6.8440 -6.5115 -6.5115 -6.5078 -6.5078 -4.4697 -4.4697 -4.4380 -4.4380 -4.3777 -4.3777 3.1725 3.1725 4.7484 4.7484 5.2027 5.2027 5.3780 5.3780 5.4593 5.4593 5.9323 5.9323 6.5065 6.5065 9.1038 9.1038 9.1097 9.1097 9.5389 9.5389 11.3268 11.3268 11.4001 11.4001 11.6019 11.6019 14.1025 14.1025 14.5237 14.5237 15.0622 15.0622 k = 0.5000 0.5000 0.3000 ( 5228 PWs) bands (ev): -61.6069 -61.6069 -33.6159 -33.6159 -32.6325 -32.6325 -32.6302 -32.6302 -7.3911 -7.3911 -7.3109 -7.3109 -6.8442 -6.8442 -6.5015 -6.5015 -6.4989 -6.4989 -4.4637 -4.4637 -4.4338 -4.4338 -4.3742 -4.3742 3.2339 3.2339 4.7319 4.7319 5.1481 5.1481 5.3248 5.3248 5.4596 5.4596 5.8734 5.8734 6.3933 6.3933 9.1582 9.1582 9.1611 9.1611 9.5377 9.5377 11.3286 11.3286 11.4052 11.4052 11.5918 11.5918 14.2004 14.2004 14.5763 14.5763 15.0611 15.0611 k = 0.5000 0.5000 0.3125 ( 5212 PWs) bands (ev): -61.6057 -61.6057 -33.6158 -33.6158 -32.6323 -32.6323 -32.6302 -32.6302 -7.3889 -7.3889 -7.3186 -7.3186 -6.8440 -6.8440 -6.4920 -6.4920 -6.4903 -6.4903 -4.4579 -4.4579 -4.4301 -4.4301 -4.3704 -4.3704 3.2978 3.2978 4.7148 4.7148 5.0970 5.0970 5.2751 5.2751 5.4604 5.4604 5.8188 5.8188 6.2796 6.2796 9.2087 9.2087 9.2088 9.2088 9.5365 9.5365 11.3388 11.3388 11.4187 11.4187 11.5848 11.5848 14.2960 14.2960 14.6277 14.6277 15.0624 15.0624 k = 0.5000 0.5000 0.3250 ( 5200 PWs) bands (ev): -61.6048 -61.6048 -33.6158 -33.6158 -32.6320 -32.6320 -32.6303 -32.6303 -7.3870 -7.3870 -7.3259 -7.3259 -6.8437 -6.8437 -6.4828 -6.4828 -6.4819 -6.4819 -4.4523 -4.4523 -4.4268 -4.4268 -4.3664 -4.3664 3.3641 3.3641 4.6966 4.6966 5.0485 5.0485 5.2278 5.2278 5.4626 5.4626 5.7688 5.7688 6.1658 6.1658 9.2526 9.2526 9.2550 9.2550 9.5353 9.5353 11.3456 11.3456 11.4280 11.4280 11.5790 11.5790 14.3893 14.3893 14.6771 14.6771 15.0691 15.0691 k = 0.5000 0.5000 0.3375 ( 5208 PWs) bands (ev): -61.6053 -61.6053 -33.6159 -33.6159 -32.6321 -32.6321 -32.6307 -32.6307 -7.3854 -7.3854 -7.3328 -7.3328 -6.8431 -6.8431 -6.4742 -6.4742 -6.4739 -6.4739 -4.4469 -4.4469 -4.4239 -4.4239 -4.3623 -4.3623 3.4326 3.4326 4.6775 4.6775 5.0028 5.0028 5.1835 5.1835 5.4630 5.4630 5.7222 5.7222 6.0520 6.0520 9.2925 9.2925 9.2971 9.2971 9.5342 9.5342 11.3522 11.3522 11.4370 11.4370 11.5717 11.5717 14.4728 14.4728 14.7245 14.7245 15.0691 15.0691 k = 0.5000 0.5000 0.3500 ( 5224 PWs) bands (ev): -61.6065 -61.6065 -33.6162 -33.6162 -32.6323 -32.6323 -32.6310 -32.6310 -7.3839 -7.3839 -7.3393 -7.3393 -6.8424 -6.8424 -6.4662 -6.4662 -6.4662 -6.4662 -4.4417 -4.4417 -4.4213 -4.4213 -4.3582 -4.3582 3.5034 3.5034 4.6582 4.6582 4.9600 4.9600 5.1420 5.1420 5.4627 5.4627 5.6799 5.6799 5.9382 5.9382 9.3288 9.3288 9.3352 9.3352 9.5332 9.5332 11.3590 11.3590 11.4462 11.4462 11.5606 11.5606 14.5538 14.5538 14.7696 14.7696 15.0662 15.0662 k = 0.5000 0.5000 0.3625 ( 5232 PWs) bands (ev): -61.6070 -61.6070 -33.6163 -33.6163 -32.6323 -32.6323 -32.6314 -32.6314 -7.3827 -7.3827 -7.3453 -7.3453 -6.8415 -6.8415 -6.4590 -6.4590 -6.4586 -6.4586 -4.4369 -4.4369 -4.4191 -4.4191 -4.3541 -4.3541 3.5765 3.5765 4.6386 4.6386 4.9204 4.9204 5.1039 5.1039 5.4631 5.4631 5.6408 5.6408 5.8255 5.8255 9.3614 9.3614 9.3694 9.3694 9.5322 9.5322 11.3684 11.3684 11.4577 11.4577 11.5552 11.5552 14.6252 14.6252 14.8123 14.8123 15.0662 15.0662 k = 0.5000 0.5000 0.3750 ( 5224 PWs) bands (ev): -61.6064 -61.6064 -33.6163 -33.6163 -32.6323 -32.6323 -32.6314 -32.6314 -7.3816 -7.3816 -7.3508 -7.3508 -6.8406 -6.8406 -6.4522 -6.4522 -6.4516 -6.4516 -4.4323 -4.4323 -4.4171 -4.4171 -4.3501 -4.3501 3.6517 3.6517 4.6194 4.6194 4.8839 4.8839 5.0690 5.0690 5.4635 5.4635 5.6089 5.6089 5.7138 5.7138 9.3904 9.3904 9.3998 9.3998 9.5313 9.5313 11.3788 11.3788 11.4703 11.4703 11.5508 11.5508 14.7021 14.7021 14.8523 14.8523 15.0663 15.0663 k = 0.5000 0.5000 0.3875 ( 5224 PWs) bands (ev): -61.6064 -61.6064 -33.6164 -33.6164 -32.6323 -32.6323 -32.6315 -32.6315 -7.3807 -7.3807 -7.3559 -7.3559 -6.8396 -6.8396 -6.4459 -6.4459 -6.4453 -6.4453 -4.4281 -4.4281 -4.4155 -4.4155 -4.3463 -4.3463 3.7288 3.7288 4.6006 4.6006 4.8504 4.8504 5.0372 5.0372 5.4639 5.4639 5.5795 5.5795 5.6037 5.6037 9.4161 9.4161 9.4267 9.4267 9.5306 9.5306 11.3886 11.3886 11.4821 11.4821 11.5472 11.5472 14.7684 14.7684 14.8894 14.8894 15.0664 15.0664 k = 0.5000 0.5000 0.4000 ( 5236 PWs) bands (ev): -61.6072 -61.6072 -33.6166 -33.6166 -32.6324 -32.6324 -32.6318 -32.6318 -7.3800 -7.3800 -7.3604 -7.3604 -6.8387 -6.8387 -6.4402 -6.4402 -6.4395 -6.4395 -4.4242 -4.4242 -4.4140 -4.4140 -4.3427 -4.3427 3.8076 3.8076 4.5825 4.5825 4.8195 4.8195 5.0084 5.0084 5.4638 5.4638 5.4952 5.4952 5.5539 5.5539 9.4385 9.4385 9.4500 9.4500 9.5299 9.5299 11.3950 11.3950 11.4906 11.4906 11.5418 11.5418 14.8286 14.8286 14.9232 14.9232 15.0653 15.0653 k = 0.5000 0.5000 0.4125 ( 5244 PWs) bands (ev): -61.6077 -61.6077 -33.6167 -33.6167 -32.6325 -32.6325 -32.6321 -32.6321 -7.3794 -7.3794 -7.3645 -7.3645 -6.8378 -6.8378 -6.4350 -6.4350 -6.4344 -6.4344 -4.4207 -4.4207 -4.4128 -4.4128 -4.3394 -4.3394 3.8879 3.8879 4.5656 4.5656 4.7914 4.7914 4.9829 4.9829 5.3893 5.3893 5.4641 5.4641 5.5321 5.5321 9.4577 9.4577 9.4701 9.4701 9.5294 9.5294 11.4008 11.4008 11.4981 11.4981 11.5384 11.5384 14.8831 14.8831 14.9536 14.9536 15.0663 15.0663 k = 0.5000 0.5000 0.4250 ( 5244 PWs) bands (ev): -61.6077 -61.6077 -33.6167 -33.6167 -32.6324 -32.6324 -32.6322 -32.6322 -7.3789 -7.3789 -7.3680 -7.3680 -6.8369 -6.8369 -6.4304 -6.4304 -6.4299 -6.4299 -4.4177 -4.4177 -4.4118 -4.4118 -4.3365 -4.3365 3.9693 3.9693 4.5502 4.5502 4.7659 4.7659 4.9609 4.9609 5.2871 5.2871 5.4642 5.4642 5.5135 5.5135 9.4739 9.4739 9.4871 9.4871 9.5291 9.5291 11.4085 11.4085 11.5075 11.5075 11.5390 11.5390 14.9302 14.9302 14.9805 14.9805 15.0655 15.0655 k = 0.5000 0.5000 0.4375 ( 5252 PWs) bands (ev): -61.6083 -61.6083 -33.6169 -33.6169 -32.6325 -32.6325 -32.6324 -32.6324 -7.3785 -7.3785 -7.3709 -7.3709 -6.8361 -6.8361 -6.4265 -6.4265 -6.4261 -6.4261 -4.4151 -4.4151 -4.4109 -4.4109 -4.3340 -4.3340 4.0510 4.0510 4.5365 4.5365 4.7420 4.7420 4.9420 4.9420 5.1894 5.1894 5.4647 5.4647 5.4975 5.4975 9.4871 9.4871 9.5012 9.5012 9.5291 9.5291 11.4132 11.4132 11.5139 11.5139 11.5376 11.5376 14.9682 14.9682 15.0036 15.0036 15.0665 15.0665 k = 0.5000 0.5000 0.4500 ( 5248 PWs) bands (ev): -61.6080 -61.6080 -33.6168 -33.6168 -32.6325 -32.6325 -32.6324 -32.6324 -7.3782 -7.3782 -7.3734 -7.3734 -6.8354 -6.8354 -6.4233 -6.4233 -6.4230 -6.4230 -4.4129 -4.4129 -4.4102 -4.4102 -4.3318 -4.3318 4.1320 4.1320 4.5251 4.5251 4.7194 4.7194 4.9269 4.9269 5.0988 5.0988 5.4651 5.4651 5.4844 5.4844 9.4974 9.4974 9.5125 9.5125 9.5293 9.5293 11.4208 11.4208 11.5241 11.5241 11.5386 11.5386 14.9984 14.9984 15.0228 15.0228 15.0670 15.0670 k = 0.5000 0.5000 0.4625 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6322 -32.6322 -7.3780 -7.3780 -7.3753 -7.3753 -6.8349 -6.8349 -6.4207 -6.4207 -6.4205 -6.4205 -4.4112 -4.4112 -4.4097 -4.4097 -4.3301 -4.3301 4.2102 4.2102 4.5160 4.5160 4.6960 4.6960 4.9151 4.9151 5.0187 5.0187 5.4652 5.4652 5.4773 5.4773 9.5049 9.5049 9.5211 9.5211 9.5300 9.5300 11.4266 11.4266 11.5325 11.5325 11.5396 11.5396 15.0332 15.0332 15.0379 15.0379 15.0671 15.0671 k = 0.5000 0.5000 0.4750 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3779 -7.3779 -7.3767 -7.3767 -6.8345 -6.8345 -6.4189 -6.4189 -6.4188 -6.4188 -4.4100 -4.4100 -4.4093 -4.4093 -4.3289 -4.3289 4.2813 4.2813 4.5093 4.5093 4.6705 4.6705 4.9066 4.9066 4.9549 4.9549 5.4653 5.4653 5.4707 5.4707 9.5098 9.5098 9.5272 9.5272 9.5309 9.5309 11.4295 11.4295 11.5368 11.5368 11.5399 11.5399 15.0487 15.0487 15.0520 15.0520 15.0671 15.0671 k = 0.5000 0.5000 0.4875 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3778 -7.3778 -7.3775 -7.3775 -6.8343 -6.8343 -6.4178 -6.4178 -6.4177 -6.4177 -4.4093 -4.4093 -4.4091 -4.4091 -4.3282 -4.3282 4.3364 4.3364 4.5053 4.5053 4.6456 4.6456 4.9015 4.9015 4.9138 4.9138 5.4654 5.4654 5.4667 5.4667 9.5124 9.5124 9.5308 9.5308 9.5317 9.5317 11.4311 11.4311 11.5394 11.5394 11.5402 11.5402 15.0553 15.0553 15.0633 15.0633 15.0671 15.0671 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -61.6068 -61.6068 -33.6167 -33.6167 -32.6323 -32.6323 -32.6323 -32.6323 -7.3778 -7.3778 -7.3778 -7.3778 -6.8342 -6.8342 -6.4174 -6.4174 -6.4174 -6.4174 -4.4090 -4.4090 -4.4090 -4.4090 -4.3279 -4.3279 4.3587 4.3587 4.5039 4.5039 4.6337 4.6337 4.8998 4.8998 4.8998 4.8998 5.4654 5.4654 5.4654 5.4654 9.5132 9.5132 9.5320 9.5320 9.5320 9.5320 11.4317 11.4317 11.5403 11.5403 11.5403 11.5403 15.0574 15.0574 15.0671 15.0671 15.0671 15.0671 Writing output data file CrPbO3.save init_run : 0.22s CPU 0.58s WALL ( 1 calls) electrons : 133.83s CPU 136.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 133.82s CPU 136.61s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 306 calls) cegterg : 121.48s CPU 122.92s WALL ( 337 calls) Called by sum_band: Called by *egterg: h_psi : 78.34s CPU 79.60s WALL ( 5371 calls) s_psi : 2.28s CPU 2.50s WALL ( 5371 calls) g_psi : 0.25s CPU 0.24s WALL ( 4728 calls) cdiaghg : 35.31s CPU 35.55s WALL ( 5034 calls) cegterg:over : 5.81s CPU 5.55s WALL ( 4728 calls) cegterg:upda : 4.31s CPU 4.49s WALL ( 4728 calls) cegterg:last : 2.96s CPU 3.02s WALL ( 949 calls) cdiaghg:chol : 1.76s CPU 2.01s WALL ( 5034 calls) cdiaghg:inve : 1.37s CPU 1.34s WALL ( 5034 calls) cdiaghg:para : 2.12s CPU 2.12s WALL ( 10068 calls) Called by h_psi: h_psi:vloc : 70.45s CPU 71.93s WALL ( 5371 calls) h_psi:vnl : 7.64s CPU 7.43s WALL ( 5371 calls) add_vuspsi : 3.58s CPU 3.59s WALL ( 5371 calls) General routines calbec : 4.04s CPU 3.82s WALL ( 5371 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.08s CPU 68.35s WALL ( 653460 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.27s WALL ( 612 calls) Parallel routines fft_scatter : 21.97s CPU 22.66s WALL ( 653483 calls) PWSCF : 2m31.74s CPU 2m56.62s WALL This run was terminated on: 17:37:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=