Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:58:21 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: ./TiPbO3.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 40 39 11 1158 1123 177 Max 41 40 12 1163 1142 180 Sum 1457 1433 421 41755 40747 6451 bravais-lattice index = 14 lattice parameter (alat) = 7.5022 a.u. unit-cell volume = 422.2484 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 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)= 7.502212 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 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. # 2 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 PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 1.00) Ti 12.00 47.86700 Ti( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 41755 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 40747 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 284, 52) NL pseudopotentials 0.24 Mb ( 142, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1160) G-vector shells 0.00 Mb ( 295) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 284, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.17 Mb ( 110, 2, 52) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./TiPbO3.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs + 10 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.4 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.9 secs Computing kpt #: 17 total cpu time spent up to now is 13.8 secs Computing kpt #: 18 total cpu time spent up to now is 14.6 secs Computing kpt #: 19 total cpu time spent up to now is 15.4 secs Computing kpt #: 20 total cpu time spent up to now is 16.3 secs Computing kpt #: 21 total cpu time spent up to now is 17.1 secs Computing kpt #: 22 total cpu time spent up to now is 18.0 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.8 secs Computing kpt #: 25 total cpu time spent up to now is 20.7 secs Computing kpt #: 26 total cpu time spent up to now is 21.6 secs Computing kpt #: 27 total cpu time spent up to now is 22.4 secs Computing kpt #: 28 total cpu time spent up to now is 23.2 secs Computing kpt #: 29 total cpu time spent up to now is 24.0 secs Computing kpt #: 30 total cpu time spent up to now is 24.8 secs Computing kpt #: 31 total cpu time spent up to now is 25.6 secs Computing kpt #: 32 total cpu time spent up to now is 26.5 secs Computing kpt #: 33 total cpu time spent up to now is 27.4 secs Computing kpt #: 34 total cpu time spent up to now is 28.2 secs Computing kpt #: 35 total cpu time spent up to now is 29.0 secs Computing kpt #: 36 total cpu time spent up to now is 29.8 secs Computing kpt #: 37 total cpu time spent up to now is 30.7 secs Computing kpt #: 38 total cpu time spent up to now is 31.5 secs Computing kpt #: 39 total cpu time spent up to now is 32.2 secs Computing kpt #: 40 total cpu time spent up to now is 32.9 secs Computing kpt #: 41 total cpu time spent up to now is 33.5 secs Computing kpt #: 42 total cpu time spent up to now is 34.2 secs Computing kpt #: 43 total cpu time spent up to now is 35.0 secs Computing kpt #: 44 total cpu time spent up to now is 35.8 secs Computing kpt #: 45 total cpu time spent up to now is 36.6 secs Computing kpt #: 46 total cpu time spent up to now is 37.4 secs Computing kpt #: 47 total cpu time spent up to now is 38.3 secs Computing kpt #: 48 total cpu time spent up to now is 39.2 secs Computing kpt #: 49 total cpu time spent up to now is 40.1 secs Computing kpt #: 50 total cpu time spent up to now is 41.1 secs Computing kpt #: 51 total cpu time spent up to now is 42.0 secs Computing kpt #: 52 total cpu time spent up to now is 43.0 secs Computing kpt #: 53 total cpu time spent up to now is 43.9 secs Computing kpt #: 54 total cpu time spent up to now is 44.9 secs Computing kpt #: 55 total cpu time spent up to now is 45.8 secs Computing kpt #: 56 total cpu time spent up to now is 46.7 secs Computing kpt #: 57 total cpu time spent up to now is 47.8 secs Computing kpt #: 58 total cpu time spent up to now is 48.7 secs Computing kpt #: 59 total cpu time spent up to now is 49.6 secs Computing kpt #: 60 total cpu time spent up to now is 50.4 secs Computing kpt #: 61 total cpu time spent up to now is 51.3 secs Computing kpt #: 62 total cpu time spent up to now is 52.1 secs Computing kpt #: 63 total cpu time spent up to now is 52.9 secs Computing kpt #: 64 total cpu time spent up to now is 53.9 secs Computing kpt #: 65 total cpu time spent up to now is 54.7 secs Computing kpt #: 66 total cpu time spent up to now is 55.6 secs Computing kpt #: 67 total cpu time spent up to now is 56.4 secs Computing kpt #: 68 total cpu time spent up to now is 57.2 secs Computing kpt #: 69 total cpu time spent up to now is 58.0 secs Computing kpt #: 70 total cpu time spent up to now is 58.8 secs Computing kpt #: 71 total cpu time spent up to now is 59.6 secs Computing kpt #: 72 total cpu time spent up to now is 60.5 secs Computing kpt #: 73 total cpu time spent up to now is 61.4 secs Computing kpt #: 74 total cpu time spent up to now is 62.2 secs Computing kpt #: 75 total cpu time spent up to now is 63.1 secs Computing kpt #: 76 total cpu time spent up to now is 63.9 secs Computing kpt #: 77 total cpu time spent up to now is 64.7 secs Computing kpt #: 78 total cpu time spent up to now is 65.6 secs Computing kpt #: 79 total cpu time spent up to now is 66.4 secs Computing kpt #: 80 total cpu time spent up to now is 67.2 secs Computing kpt #: 81 total cpu time spent up to now is 68.1 secs Computing kpt #: 82 total cpu time spent up to now is 68.9 secs Computing kpt #: 83 total cpu time spent up to now is 69.7 secs Computing kpt #: 84 total cpu time spent up to now is 70.5 secs Computing kpt #: 85 total cpu time spent up to now is 71.4 secs Computing kpt #: 86 total cpu time spent up to now is 72.2 secs Computing kpt #: 87 total cpu time spent up to now is 73.1 secs Computing kpt #: 88 total cpu time spent up to now is 73.9 secs Computing kpt #: 89 total cpu time spent up to now is 74.7 secs Computing kpt #: 90 total cpu time spent up to now is 75.7 secs Computing kpt #: 91 total cpu time spent up to now is 76.5 secs Computing kpt #: 92 total cpu time spent up to now is 77.4 secs Computing kpt #: 93 total cpu time spent up to now is 78.3 secs Computing kpt #: 94 total cpu time spent up to now is 79.2 secs Computing kpt #: 95 total cpu time spent up to now is 80.1 secs Computing kpt #: 96 total cpu time spent up to now is 80.9 secs Computing kpt #: 97 total cpu time spent up to now is 81.8 secs Computing kpt #: 98 total cpu time spent up to now is 82.7 secs Computing kpt #: 99 total cpu time spent up to now is 83.6 secs Computing kpt #: 100 total cpu time spent up to now is 84.5 secs Computing kpt #: 101 total cpu time spent up to now is 85.3 secs Computing kpt #: 102 total cpu time spent up to now is 86.2 secs Computing kpt #: 103 total cpu time spent up to now is 87.1 secs Computing kpt #: 104 total cpu time spent up to now is 88.0 secs Computing kpt #: 105 total cpu time spent up to now is 88.9 secs Computing kpt #: 106 total cpu time spent up to now is 89.7 secs Computing kpt #: 107 total cpu time spent up to now is 90.6 secs Computing kpt #: 108 total cpu time spent up to now is 91.5 secs Computing kpt #: 109 total cpu time spent up to now is 92.4 secs Computing kpt #: 110 total cpu time spent up to now is 93.2 secs Computing kpt #: 111 total cpu time spent up to now is 94.1 secs Computing kpt #: 112 total cpu time spent up to now is 95.0 secs Computing kpt #: 113 total cpu time spent up to now is 95.9 secs Computing kpt #: 114 total cpu time spent up to now is 96.8 secs Computing kpt #: 115 total cpu time spent up to now is 97.7 secs Computing kpt #: 116 total cpu time spent up to now is 98.6 secs Computing kpt #: 117 total cpu time spent up to now is 99.4 secs Computing kpt #: 118 total cpu time spent up to now is 100.2 secs Computing kpt #: 119 total cpu time spent up to now is 101.1 secs Computing kpt #: 120 total cpu time spent up to now is 102.1 secs Computing kpt #: 121 total cpu time spent up to now is 103.1 secs Computing kpt #: 122 total cpu time spent up to now is 104.0 secs Computing kpt #: 123 total cpu time spent up to now is 104.8 secs Computing kpt #: 124 total cpu time spent up to now is 105.7 secs Computing kpt #: 125 total cpu time spent up to now is 106.5 secs Computing kpt #: 126 total cpu time spent up to now is 107.3 secs Computing kpt #: 127 total cpu time spent up to now is 108.1 secs Computing kpt #: 128 total cpu time spent up to now is 109.0 secs Computing kpt #: 129 total cpu time spent up to now is 109.8 secs Computing kpt #: 130 total cpu time spent up to now is 110.6 secs Computing kpt #: 131 total cpu time spent up to now is 111.3 secs Computing kpt #: 132 total cpu time spent up to now is 112.1 secs Computing kpt #: 133 total cpu time spent up to now is 112.8 secs Computing kpt #: 134 total cpu time spent up to now is 113.6 secs Computing kpt #: 135 total cpu time spent up to now is 114.3 secs Computing kpt #: 136 total cpu time spent up to now is 114.9 secs Computing kpt #: 137 total cpu time spent up to now is 115.6 secs Computing kpt #: 138 total cpu time spent up to now is 116.2 secs Computing kpt #: 139 total cpu time spent up to now is 117.0 secs Computing kpt #: 140 total cpu time spent up to now is 117.8 secs Computing kpt #: 141 total cpu time spent up to now is 118.5 secs Computing kpt #: 142 total cpu time spent up to now is 119.1 secs Computing kpt #: 143 total cpu time spent up to now is 119.8 secs Computing kpt #: 144 total cpu time spent up to now is 120.5 secs Computing kpt #: 145 total cpu time spent up to now is 121.2 secs Computing kpt #: 146 total cpu time spent up to now is 121.9 secs Computing kpt #: 147 total cpu time spent up to now is 122.6 secs Computing kpt #: 148 total cpu time spent up to now is 123.5 secs Computing kpt #: 149 total cpu time spent up to now is 124.3 secs Computing kpt #: 150 total cpu time spent up to now is 125.1 secs Computing kpt #: 151 total cpu time spent up to now is 126.0 secs Computing kpt #: 152 total cpu time spent up to now is 127.0 secs Computing kpt #: 153 total cpu time spent up to now is 127.7 secs Computing kpt #: 154 total cpu time spent up to now is 128.6 secs Computing kpt #: 155 total cpu time spent up to now is 129.7 secs Computing kpt #: 156 total cpu time spent up to now is 130.8 secs Computing kpt #: 157 total cpu time spent up to now is 131.7 secs Computing kpt #: 158 total cpu time spent up to now is 132.5 secs Computing kpt #: 159 total cpu time spent up to now is 133.4 secs Computing kpt #: 160 total cpu time spent up to now is 134.2 secs Computing kpt #: 161 total cpu time spent up to now is 135.0 secs Computing kpt #: 162 total cpu time spent up to now is 135.8 secs Computing kpt #: 163 total cpu time spent up to now is 136.6 secs Computing kpt #: 164 total cpu time spent up to now is 137.4 secs Computing kpt #: 165 total cpu time spent up to now is 138.2 secs Computing kpt #: 166 total cpu time spent up to now is 139.0 secs Computing kpt #: 167 total cpu time spent up to now is 139.8 secs Computing kpt #: 168 total cpu time spent up to now is 140.6 secs Computing kpt #: 169 total cpu time spent up to now is 141.2 secs Computing kpt #: 170 total cpu time spent up to now is 142.0 secs Computing kpt #: 171 total cpu time spent up to now is 142.8 secs Computing kpt #: 172 total cpu time spent up to now is 143.6 secs Computing kpt #: 173 total cpu time spent up to now is 144.3 secs Computing kpt #: 174 total cpu time spent up to now is 145.1 secs Computing kpt #: 175 total cpu time spent up to now is 145.8 secs Computing kpt #: 176 total cpu time spent up to now is 146.6 secs Computing kpt #: 177 total cpu time spent up to now is 147.4 secs Computing kpt #: 178 total cpu time spent up to now is 148.1 secs Computing kpt #: 179 total cpu time spent up to now is 148.9 secs Computing kpt #: 180 total cpu time spent up to now is 149.6 secs Computing kpt #: 181 total cpu time spent up to now is 150.4 secs Computing kpt #: 182 total cpu time spent up to now is 151.1 secs Computing kpt #: 183 total cpu time spent up to now is 151.9 secs Computing kpt #: 184 total cpu time spent up to now is 152.9 secs Computing kpt #: 185 total cpu time spent up to now is 153.7 secs Computing kpt #: 186 total cpu time spent up to now is 154.5 secs Computing kpt #: 187 total cpu time spent up to now is 155.2 secs Computing kpt #: 188 total cpu time spent up to now is 156.0 secs Computing kpt #: 189 total cpu time spent up to now is 156.8 secs Computing kpt #: 190 total cpu time spent up to now is 157.6 secs Computing kpt #: 191 total cpu time spent up to now is 158.3 secs Computing kpt #: 192 total cpu time spent up to now is 159.1 secs Computing kpt #: 193 total cpu time spent up to now is 159.8 secs Computing kpt #: 194 total cpu time spent up to now is 160.6 secs Computing kpt #: 195 total cpu time spent up to now is 161.3 secs Computing kpt #: 196 total cpu time spent up to now is 162.1 secs Computing kpt #: 197 total cpu time spent up to now is 163.0 secs Computing kpt #: 198 total cpu time spent up to now is 163.8 secs Computing kpt #: 199 total cpu time spent up to now is 164.6 secs Computing kpt #: 200 total cpu time spent up to now is 165.4 secs Computing kpt #: 201 total cpu time spent up to now is 166.2 secs Computing kpt #: 202 total cpu time spent up to now is 167.0 secs Computing kpt #: 203 total cpu time spent up to now is 167.8 secs Computing kpt #: 204 total cpu time spent up to now is 168.6 secs Computing kpt #: 205 total cpu time spent up to now is 169.4 secs Computing kpt #: 206 total cpu time spent up to now is 170.2 secs Computing kpt #: 207 total cpu time spent up to now is 171.0 secs Computing kpt #: 208 total cpu time spent up to now is 171.8 secs Computing kpt #: 209 total cpu time spent up to now is 172.5 secs Computing kpt #: 210 total cpu time spent up to now is 173.2 secs Computing kpt #: 211 total cpu time spent up to now is 174.0 secs Computing kpt #: 212 total cpu time spent up to now is 174.7 secs Computing kpt #: 213 total cpu time spent up to now is 175.4 secs Computing kpt #: 214 total cpu time spent up to now is 176.2 secs Computing kpt #: 215 total cpu time spent up to now is 177.0 secs Computing kpt #: 216 total cpu time spent up to now is 177.9 secs Computing kpt #: 217 total cpu time spent up to now is 178.7 secs Computing kpt #: 218 total cpu time spent up to now is 179.5 secs Computing kpt #: 219 total cpu time spent up to now is 180.3 secs Computing kpt #: 220 total cpu time spent up to now is 181.1 secs Computing kpt #: 221 total cpu time spent up to now is 181.9 secs Computing kpt #: 222 total cpu time spent up to now is 182.6 secs Computing kpt #: 223 total cpu time spent up to now is 183.4 secs Computing kpt #: 224 total cpu time spent up to now is 184.1 secs Computing kpt #: 225 total cpu time spent up to now is 184.9 secs Computing kpt #: 226 total cpu time spent up to now is 185.6 secs Computing kpt #: 227 total cpu time spent up to now is 186.4 secs Computing kpt #: 228 total cpu time spent up to now is 187.1 secs Computing kpt #: 229 total cpu time spent up to now is 187.9 secs Computing kpt #: 230 total cpu time spent up to now is 188.7 secs Computing kpt #: 231 total cpu time spent up to now is 189.4 secs Computing kpt #: 232 total cpu time spent up to now is 190.1 secs Computing kpt #: 233 total cpu time spent up to now is 190.9 secs Computing kpt #: 234 total cpu time spent up to now is 191.7 secs Computing kpt #: 235 total cpu time spent up to now is 192.5 secs Computing kpt #: 236 total cpu time spent up to now is 193.3 secs Computing kpt #: 237 total cpu time spent up to now is 194.1 secs Computing kpt #: 238 total cpu time spent up to now is 195.0 secs Computing kpt #: 239 total cpu time spent up to now is 195.6 secs Computing kpt #: 240 total cpu time spent up to now is 196.4 secs Computing kpt #: 241 total cpu time spent up to now is 197.1 secs Computing kpt #: 242 total cpu time spent up to now is 197.9 secs Computing kpt #: 243 total cpu time spent up to now is 198.6 secs Computing kpt #: 244 total cpu time spent up to now is 199.4 secs Computing kpt #: 245 total cpu time spent up to now is 200.3 secs Computing kpt #: 246 total cpu time spent up to now is 201.2 secs Computing kpt #: 247 total cpu time spent up to now is 202.0 secs Computing kpt #: 248 total cpu time spent up to now is 202.9 secs Computing kpt #: 249 total cpu time spent up to now is 203.8 secs Computing kpt #: 250 total cpu time spent up to now is 204.7 secs Computing kpt #: 251 total cpu time spent up to now is 205.6 secs Computing kpt #: 252 total cpu time spent up to now is 206.5 secs Computing kpt #: 253 total cpu time spent up to now is 207.5 secs Computing kpt #: 254 total cpu time spent up to now is 208.5 secs Computing kpt #: 255 total cpu time spent up to now is 209.4 secs Computing kpt #: 256 total cpu time spent up to now is 210.3 secs Computing kpt #: 257 total cpu time spent up to now is 211.3 secs Computing kpt #: 258 total cpu time spent up to now is 212.2 secs Computing kpt #: 259 total cpu time spent up to now is 213.1 secs Computing kpt #: 260 total cpu time spent up to now is 214.1 secs Computing kpt #: 261 total cpu time spent up to now is 215.0 secs Computing kpt #: 262 total cpu time spent up to now is 215.8 secs Computing kpt #: 263 total cpu time spent up to now is 216.5 secs Computing kpt #: 264 total cpu time spent up to now is 217.3 secs Computing kpt #: 265 total cpu time spent up to now is 218.1 secs Computing kpt #: 266 total cpu time spent up to now is 218.8 secs Computing kpt #: 267 total cpu time spent up to now is 219.6 secs Computing kpt #: 268 total cpu time spent up to now is 220.5 secs Computing kpt #: 269 total cpu time spent up to now is 221.3 secs Computing kpt #: 270 total cpu time spent up to now is 222.1 secs Computing kpt #: 271 total cpu time spent up to now is 223.0 secs Computing kpt #: 272 total cpu time spent up to now is 223.8 secs Computing kpt #: 273 total cpu time spent up to now is 224.6 secs Computing kpt #: 274 total cpu time spent up to now is 225.4 secs Computing kpt #: 275 total cpu time spent up to now is 226.3 secs Computing kpt #: 276 total cpu time spent up to now is 227.1 secs Computing kpt #: 277 total cpu time spent up to now is 228.0 secs Computing kpt #: 278 total cpu time spent up to now is 228.9 secs Computing kpt #: 279 total cpu time spent up to now is 229.8 secs Computing kpt #: 280 total cpu time spent up to now is 230.7 secs Computing kpt #: 281 total cpu time spent up to now is 231.4 secs Computing kpt #: 282 total cpu time spent up to now is 232.2 secs Computing kpt #: 283 total cpu time spent up to now is 233.0 secs Computing kpt #: 284 total cpu time spent up to now is 233.8 secs Computing kpt #: 285 total cpu time spent up to now is 234.6 secs Computing kpt #: 286 total cpu time spent up to now is 235.4 secs Computing kpt #: 287 total cpu time spent up to now is 236.2 secs Computing kpt #: 288 total cpu time spent up to now is 237.0 secs Computing kpt #: 289 total cpu time spent up to now is 237.7 secs Computing kpt #: 290 total cpu time spent up to now is 238.5 secs Computing kpt #: 291 total cpu time spent up to now is 239.3 secs Computing kpt #: 292 total cpu time spent up to now is 240.0 secs Computing kpt #: 293 total cpu time spent up to now is 240.8 secs Computing kpt #: 294 total cpu time spent up to now is 241.5 secs Computing kpt #: 295 total cpu time spent up to now is 242.3 secs Computing kpt #: 296 total cpu time spent up to now is 243.1 secs Computing kpt #: 297 total cpu time spent up to now is 243.9 secs Computing kpt #: 298 total cpu time spent up to now is 244.6 secs Computing kpt #: 299 total cpu time spent up to now is 245.5 secs Computing kpt #: 300 total cpu time spent up to now is 246.3 secs Computing kpt #: 301 total cpu time spent up to now is 247.1 secs Computing kpt #: 302 total cpu time spent up to now is 247.9 secs Computing kpt #: 303 total cpu time spent up to now is 248.7 secs Computing kpt #: 304 total cpu time spent up to now is 249.4 secs Computing kpt #: 305 total cpu time spent up to now is 250.2 secs Computing kpt #: 306 total cpu time spent up to now is 250.9 secs Computing kpt #: 307 total cpu time spent up to now is 251.6 secs ethr = 2.27E-08, avg # of iterations = 31.4 total cpu time spent up to now is 251.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5137 PWs) bands (ev): -46.3013 -46.3013 -22.9632 -22.9632 -22.3079 -22.3079 -22.3079 -22.3079 -7.2531 -7.2531 -6.5790 -6.5790 -6.5790 -6.5790 -5.9241 -5.9241 -5.9241 -5.9241 -3.8269 -3.8269 -3.7978 -3.7978 -3.7978 -3.7978 4.7309 4.7309 6.6465 6.6465 6.8774 6.8774 6.8774 6.8774 9.1734 9.1734 9.1734 9.1734 9.1897 9.1897 9.5485 9.5485 9.6718 9.6718 9.6718 9.6718 12.2735 12.2735 12.2735 12.2735 12.3088 12.3088 14.3856 14.3856 k = 0.0000 0.0125-0.0000 ( 5097 PWs) bands (ev): -46.3013 -46.3013 -22.9632 -22.9632 -22.3080 -22.3080 -22.3079 -22.3079 -7.2524 -7.2524 -6.5788 -6.5788 -6.5788 -6.5788 -5.9242 -5.9242 -5.9240 -5.9240 -3.8269 -3.8269 -3.7980 -3.7980 -3.7978 -3.7978 4.7274 4.7274 6.6481 6.6481 6.8781 6.8781 6.8796 6.8796 9.1721 9.1721 9.1727 9.1727 9.1887 9.1887 9.5466 9.5466 9.6690 9.6690 9.6708 9.6708 12.2746 12.2746 12.2767 12.2767 12.3110 12.3110 14.3856 14.3856 k = 0.0000 0.0250-0.0000 ( 5097 PWs) bands (ev): -46.3013 -46.3013 -22.9633 -22.9633 -22.3082 -22.3082 -22.3079 -22.3079 -7.2502 -7.2502 -6.5784 -6.5784 -6.5782 -6.5782 -5.9245 -5.9245 -5.9237 -5.9237 -3.8271 -3.8271 -3.7984 -3.7984 -3.7977 -3.7977 4.7169 4.7169 6.6528 6.6528 6.8799 6.8799 6.8858 6.8858 9.1680 9.1680 9.1704 9.1704 9.1857 9.1857 9.5408 9.5408 9.6609 9.6609 9.6680 9.6680 12.2770 12.2770 12.2863 12.2863 12.3182 12.3182 14.3856 14.3856 k = 0.0000 0.0375-0.0000 ( 5089 PWs) bands (ev): -46.3013 -46.3013 -22.9634 -22.9634 -22.3085 -22.3085 -22.3079 -22.3079 -7.2466 -7.2466 -6.5778 -6.5778 -6.5773 -6.5773 -5.9249 -5.9249 -5.9232 -5.9232 -3.8273 -3.8273 -3.7991 -3.7991 -3.7976 -3.7976 4.6997 4.6997 6.6601 6.6601 6.8829 6.8829 6.8962 6.8962 9.1611 9.1611 9.1658 9.1658 9.1815 9.1815 9.5308 9.5308 9.6483 9.6483 9.6634 9.6634 12.2795 12.2795 12.3020 12.3020 12.3315 12.3315 14.3856 14.3856 k = 0.0000 0.0500-0.0000 ( 5089 PWs) bands (ev): -46.3013 -46.3013 -22.9636 -22.9636 -22.3089 -22.3089 -22.3079 -22.3079 -7.2416 -7.2416 -6.5769 -6.5769 -6.5760 -6.5760 -5.9256 -5.9256 -5.9224 -5.9224 -3.8277 -3.8277 -3.8002 -3.8002 -3.7975 -3.7975 4.6763 4.6763 6.6697 6.6697 6.8872 6.8872 6.9104 6.9104 9.1511 9.1511 9.1581 9.1581 9.1767 9.1767 9.5164 9.5164 9.6327 9.6327 9.6574 9.6574 12.2814 12.2814 12.3237 12.3237 12.3514 12.3514 14.3857 14.3857 k = 0.0000 0.0625-0.0000 ( 5085 PWs) bands (ev): -46.3013 -46.3013 -22.9638 -22.9638 -22.3094 -22.3094 -22.3078 -22.3078 -7.2353 -7.2353 -6.5757 -6.5757 -6.5743 -6.5743 -5.9265 -5.9265 -5.9215 -5.9215 -3.8281 -3.8281 -3.8015 -3.8015 -3.7974 -3.7974 4.6473 4.6473 6.6810 6.6810 6.8926 6.8926 6.9281 6.9281 9.1380 9.1380 9.1465 9.1465 9.1720 9.1720 9.4971 9.4971 9.6157 9.6157 9.6504 9.6504 12.2827 12.2827 12.3511 12.3511 12.3777 12.3777 14.3857 14.3857 k = 0.0000 0.0750-0.0000 ( 5077 PWs) bands (ev): -46.3012 -46.3012 -22.9641 -22.9641 -22.3101 -22.3101 -22.3078 -22.3078 -7.2276 -7.2276 -6.5743 -6.5743 -6.5722 -6.5722 -5.9275 -5.9275 -5.9204 -5.9204 -3.8287 -3.8287 -3.8031 -3.8031 -3.7972 -3.7972 4.6134 4.6134 6.6937 6.6937 6.8992 6.8992 6.9486 6.9486 9.1214 9.1214 9.1311 9.1311 9.1672 9.1672 9.4729 9.4729 9.5993 9.5993 9.6429 9.6429 12.2836 12.2836 12.3838 12.3838 12.4096 12.4096 14.3858 14.3858 k = 0.0000 0.0875-0.0000 ( 5077 PWs) bands (ev): -46.3012 -46.3012 -22.9644 -22.9644 -22.3108 -22.3108 -22.3077 -22.3077 -7.2185 -7.2185 -6.5727 -6.5727 -6.5699 -6.5699 -5.9287 -5.9287 -5.9191 -5.9191 -3.8293 -3.8293 -3.8049 -3.8049 -3.7970 -3.7970 4.5752 4.5752 6.7072 6.7072 6.9070 6.9070 6.9711 6.9711 9.1014 9.1014 9.1121 9.1121 9.1620 9.1620 9.4442 9.4442 9.5846 9.5846 9.6352 9.6352 12.2843 12.2843 12.4214 12.4214 12.4468 12.4468 14.3859 14.3859 k = 0.0000 0.1000-0.0000 ( 5089 PWs) bands (ev): -46.3012 -46.3012 -22.9648 -22.9648 -22.3117 -22.3117 -22.3077 -22.3077 -7.2082 -7.2082 -6.5708 -6.5708 -6.5671 -6.5671 -5.9301 -5.9301 -5.9177 -5.9177 -3.8301 -3.8301 -3.8070 -3.8070 -3.7967 -3.7967 4.5334 4.5334 6.7215 6.7215 6.9160 6.9160 6.9944 6.9944 9.0777 9.0777 9.0895 9.0895 9.1564 9.1564 9.4123 9.4123 9.5722 9.5722 9.6278 9.6278 12.2848 12.2848 12.4635 12.4635 12.4885 12.4885 14.3860 14.3860 k = 0.0000 0.1125-0.0000 ( 5089 PWs) bands (ev): -46.3012 -46.3012 -22.9652 -22.9652 -22.3126 -22.3126 -22.3077 -22.3077 -7.1967 -7.1967 -6.5688 -6.5688 -6.5641 -6.5641 -5.9317 -5.9317 -5.9160 -5.9160 -3.8309 -3.8309 -3.8093 -3.8093 -3.7964 -3.7964 4.4887 4.4887 6.7364 6.7364 6.9261 6.9261 7.0173 7.0173 9.0504 9.0504 9.0636 9.0636 9.1504 9.1504 9.3793 9.3793 9.5622 9.5622 9.6210 9.6210 12.2853 12.2853 12.5096 12.5096 12.5344 12.5344 14.3861 14.3861 k = 0.0000 0.1250-0.0000 ( 5097 PWs) bands (ev): -46.3011 -46.3011 -22.9656 -22.9656 -22.3137 -22.3137 -22.3076 -22.3076 -7.1841 -7.1841 -6.5666 -6.5666 -6.5607 -6.5607 -5.9334 -5.9334 -5.9142 -5.9142 -3.8319 -3.8319 -3.8118 -3.8118 -3.7961 -3.7961 4.4418 4.4418 6.7519 6.7519 6.9373 6.9373 7.0384 7.0384 9.0198 9.0198 9.0343 9.0343 9.1438 9.1438 9.3469 9.3469 9.5545 9.5545 9.6151 9.6151 12.2857 12.2857 12.5591 12.5591 12.5839 12.5839 14.3862 14.3862 k = 0.0000 0.1375-0.0000 ( 5089 PWs) bands (ev): -46.3011 -46.3011 -22.9661 -22.9661 -22.3148 -22.3148 -22.3075 -22.3075 -7.1703 -7.1703 -6.5642 -6.5642 -6.5570 -6.5570 -5.9354 -5.9354 -5.9123 -5.9123 -3.8330 -3.8330 -3.8145 -3.8145 -3.7958 -3.7958 4.3932 4.3932 6.7678 6.7678 6.9496 6.9496 7.0563 7.0563 8.9859 8.9859 9.0020 9.0020 9.1368 9.1368 9.3173 9.3173 9.5489 9.5489 9.6102 9.6102 12.2861 12.2861 12.6118 12.6118 12.6364 12.6364 14.3863 14.3863 k = 0.0000 0.1500-0.0000 ( 5097 PWs) bands (ev): -46.3011 -46.3011 -22.9666 -22.9666 -22.3160 -22.3160 -22.3075 -22.3075 -7.1556 -7.1556 -6.5616 -6.5616 -6.5530 -6.5530 -5.9374 -5.9374 -5.9101 -5.9101 -3.8343 -3.8343 -3.8173 -3.8173 -3.7954 -3.7954 4.3435 4.3435 6.7843 6.7843 6.9630 6.9630 7.0696 7.0696 8.9491 8.9491 8.9670 8.9670 9.1294 9.1294 9.2923 9.2923 9.5452 9.5452 9.6065 9.6065 12.2865 12.2865 12.6671 12.6671 12.6917 12.6917 14.3864 14.3864 k = 0.0000 0.1625-0.0000 ( 5105 PWs) bands (ev): -46.3010 -46.3010 -22.9672 -22.9672 -22.3173 -22.3173 -22.3074 -22.3074 -7.1399 -7.1399 -6.5590 -6.5590 -6.5488 -6.5488 -5.9397 -5.9397 -5.9079 -5.9079 -3.8357 -3.8357 -3.8201 -3.8201 -3.7951 -3.7951 4.2931 4.2931 6.8012 6.8012 6.9774 6.9774 7.0771 7.0771 8.9098 8.9098 8.9294 8.9294 9.1216 9.1216 9.2734 9.2734 9.5433 9.5433 9.6039 9.6039 12.2869 12.2869 12.7245 12.7245 12.7491 12.7491 14.3865 14.3865 k = 0.0000 0.1750-0.0000 ( 5109 PWs) bands (ev): -46.3010 -46.3010 -22.9677 -22.9677 -22.3186 -22.3186 -22.3073 -22.3073 -7.1233 -7.1233 -6.5562 -6.5562 -6.5443 -6.5443 -5.9421 -5.9421 -5.9055 -5.9055 -3.8373 -3.8373 -3.8230 -3.8230 -3.7947 -3.7947 4.2424 4.2424 6.8185 6.8185 6.9929 6.9929 7.0780 7.0780 8.8683 8.8683 8.8896 8.8896 9.1134 9.1134 9.2621 9.2621 9.5429 9.5429 9.6024 9.6024 12.2872 12.2872 12.7838 12.7838 12.8083 12.8083 14.3867 14.3867 k = 0.0000 0.1875-0.0000 ( 5117 PWs) bands (ev): -46.3010 -46.3010 -22.9683 -22.9683 -22.3200 -22.3200 -22.3072 -22.3072 -7.1060 -7.1060 -6.5534 -6.5534 -6.5396 -6.5396 -5.9446 -5.9446 -5.9031 -5.9031 -3.8392 -3.8392 -3.8258 -3.8258 -3.7943 -3.7943 4.1919 4.1919 6.8360 6.8360 7.0093 7.0093 7.0718 7.0718 8.8251 8.8251 8.8479 8.8479 9.1050 9.1050 9.2595 9.2595 9.5440 9.5440 9.6020 9.6020 12.2876 12.2876 12.8443 12.8443 12.8689 12.8689 14.3868 14.3868 k = 0.0000 0.2000-0.0000 ( 5121 PWs) bands (ev): -46.3009 -46.3009 -22.9690 -22.9690 -22.3214 -22.3214 -22.3072 -22.3072 -7.0880 -7.0880 -6.5504 -6.5504 -6.5347 -6.5347 -5.9472 -5.9472 -5.9005 -5.9005 -3.8414 -3.8414 -3.8284 -3.8284 -3.7938 -3.7938 4.1419 4.1419 6.8532 6.8532 7.0267 7.0267 7.0585 7.0585 8.7803 8.7803 8.8047 8.8047 9.0963 9.0963 9.2661 9.2661 9.5463 9.5463 9.6026 9.6026 12.2880 12.2880 12.9058 12.9058 12.9304 12.9304 14.3870 14.3870 k = 0.0000 0.2125-0.0000 ( 5113 PWs) bands (ev): -46.3009 -46.3009 -22.9696 -22.9696 -22.3228 -22.3228 -22.3071 -22.3071 -7.0694 -7.0694 -6.5475 -6.5475 -6.5296 -6.5296 -5.9500 -5.9500 -5.8979 -5.8979 -3.8439 -3.8439 -3.8308 -3.8308 -3.7934 -3.7934 4.0927 4.0927 6.8690 6.8690 7.0392 7.0392 7.0451 7.0451 8.7343 8.7343 8.7602 8.7602 9.0875 9.0875 9.2822 9.2822 9.5499 9.5499 9.6040 9.6040 12.2883 12.2883 12.9679 12.9679 12.9925 12.9925 14.3871 14.3871 k = 0.0000 0.2250-0.0000 ( 5121 PWs) bands (ev): -46.3008 -46.3008 -22.9703 -22.9703 -22.3243 -22.3243 -22.3070 -22.3070 -7.0504 -7.0504 -6.5445 -6.5445 -6.5243 -6.5243 -5.9529 -5.9529 -5.8952 -5.8952 -3.8468 -3.8468 -3.8330 -3.8330 -3.7930 -3.7930 4.0445 4.0445 6.8808 6.8808 7.0169 7.0169 7.0644 7.0644 8.6874 8.6874 8.7148 8.7148 9.0785 9.0785 9.3075 9.3075 9.5546 9.5546 9.6062 9.6062 12.2887 12.2887 13.0302 13.0302 13.0548 13.0548 14.3873 14.3873 k = 0.0000 0.2375-0.0000 ( 5121 PWs) bands (ev): -46.3008 -46.3008 -22.9710 -22.9710 -22.3258 -22.3258 -22.3069 -22.3069 -7.0310 -7.0310 -6.5415 -6.5415 -6.5189 -6.5189 -5.9558 -5.9558 -5.8925 -5.8925 -3.8500 -3.8500 -3.8349 -3.8349 -3.7925 -3.7925 3.9975 3.9975 6.8821 6.8821 6.9989 6.9989 7.0845 7.0845 8.6399 8.6399 8.6686 8.6686 9.0694 9.0694 9.3415 9.3415 9.5605 9.5605 9.6090 9.6090 12.2891 12.2891 13.0923 13.0923 13.1170 13.1170 14.3874 14.3874 k = 0.0000 0.2500-0.0000 ( 5109 PWs) bands (ev): -46.3007 -46.3007 -22.9716 -22.9716 -22.3273 -22.3273 -22.3068 -22.3068 -7.0114 -7.0114 -6.5385 -6.5385 -6.5134 -6.5134 -5.9589 -5.9589 -5.8897 -5.8897 -3.8534 -3.8534 -3.8367 -3.8367 -3.7921 -3.7921 3.9521 3.9521 6.8643 6.8643 6.9947 6.9947 7.1055 7.1055 8.5919 8.5919 8.6220 8.6220 9.0604 9.0604 9.3830 9.3830 9.5679 9.5679 9.6125 9.6125 12.2894 12.2894 13.1540 13.1540 13.1788 13.1788 14.3876 14.3876 k = 0.0000 0.2625-0.0000 ( 5125 PWs) bands (ev): -46.3007 -46.3007 -22.9723 -22.9723 -22.3288 -22.3288 -22.3067 -22.3067 -6.9916 -6.9916 -6.5356 -6.5356 -6.5078 -6.5078 -5.9620 -5.9620 -5.8870 -5.8870 -3.8570 -3.8570 -3.8382 -3.8382 -3.7916 -3.7916 3.9082 3.9082 6.8279 6.8279 7.0047 7.0047 7.1274 7.1274 8.5437 8.5437 8.5750 8.5750 9.0514 9.0514 9.4303 9.4303 9.5777 9.5777 9.6163 9.6163 12.2898 12.2898 13.2148 13.2148 13.2397 13.2397 14.3877 14.3877 k = 0.0000 0.2750-0.0000 ( 5125 PWs) bands (ev): -46.3007 -46.3007 -22.9730 -22.9730 -22.3302 -22.3302 -22.3067 -22.3067 -6.9718 -6.9718 -6.5327 -6.5327 -6.5022 -6.5022 -5.9652 -5.9652 -5.8843 -5.8843 -3.8607 -3.8607 -3.8397 -3.8397 -3.7912 -3.7912 3.8662 3.8662 6.7806 6.7806 7.0224 7.0224 7.1500 7.1500 8.4954 8.4954 8.5280 8.5280 9.0425 9.0425 9.4797 9.4797 9.5924 9.5924 9.6206 9.6206 12.2901 12.2901 13.2746 13.2746 13.2996 13.2996 14.3879 14.3879 k = 0.0000 0.2875-0.0000 ( 5117 PWs) bands (ev): -46.3006 -46.3006 -22.9737 -22.9737 -22.3317 -22.3317 -22.3066 -22.3066 -6.9522 -6.9522 -6.5299 -6.5299 -6.4966 -6.4966 -5.9684 -5.9684 -5.8816 -5.8816 -3.8644 -3.8644 -3.8411 -3.8411 -3.7908 -3.7908 3.8261 3.8261 6.7273 6.7273 7.0439 7.0439 7.1733 7.1733 8.4472 8.4472 8.4810 8.4810 9.0337 9.0337 9.5236 9.5236 9.6186 9.6186 9.6252 9.6252 12.2905 12.2905 13.3330 13.3330 13.3580 13.3580 14.3880 14.3880 k = 0.0000 0.3000-0.0000 ( 5113 PWs) bands (ev): -46.3006 -46.3006 -22.9744 -22.9744 -22.3331 -22.3331 -22.3065 -22.3065 -6.9327 -6.9327 -6.5272 -6.5272 -6.4910 -6.4910 -5.9716 -5.9716 -5.8790 -5.8790 -3.8681 -3.8681 -3.8423 -3.8423 -3.7903 -3.7903 3.7881 3.7881 6.6707 6.6707 7.0675 7.0675 7.1974 7.1974 8.3994 8.3994 8.4343 8.4343 9.0251 9.0251 9.5527 9.5527 9.6300 9.6300 9.6647 9.6647 12.2908 12.2908 13.3897 13.3897 13.4148 13.4148 14.3102 14.3102 k = 0.0000 0.3125-0.0000 ( 5113 PWs) bands (ev): -46.3005 -46.3005 -22.9750 -22.9750 -22.3345 -22.3345 -22.3064 -22.3064 -6.9137 -6.9137 -6.5246 -6.5246 -6.4855 -6.4855 -5.9748 -5.9748 -5.8765 -5.8765 -3.8718 -3.8718 -3.8436 -3.8436 -3.7899 -3.7899 3.7522 3.7522 6.6125 6.6125 7.0925 7.0925 7.2222 7.2222 8.3519 8.3519 8.3879 8.3879 9.0168 9.0168 9.5695 9.5695 9.6349 9.6349 9.7268 9.7268 12.2912 12.2912 13.4445 13.4445 13.4697 13.4697 14.1906 14.1906 k = 0.0000 0.3250-0.0000 ( 5114 PWs) bands (ev): -46.3005 -46.3005 -22.9756 -22.9756 -22.3358 -22.3358 -22.3063 -22.3063 -6.8951 -6.8951 -6.5220 -6.5220 -6.4800 -6.4800 -5.9780 -5.9780 -5.8740 -5.8740 -3.8754 -3.8754 -3.8447 -3.8447 -3.7895 -3.7895 3.7185 3.7185 6.5539 6.5539 7.1185 7.1185 7.2476 7.2476 8.3050 8.3050 8.3420 8.3420 9.0088 9.0088 9.5810 9.5810 9.6399 9.6399 9.7974 9.7974 12.2915 12.2915 13.4970 13.4970 13.5223 13.5223 14.0720 14.0720 k = 0.0000 0.3375-0.0000 ( 5106 PWs) bands (ev): -46.3004 -46.3004 -22.9763 -22.9763 -22.3371 -22.3371 -22.3063 -22.3063 -6.8771 -6.8771 -6.5197 -6.5197 -6.4747 -6.4747 -5.9811 -5.9811 -5.8717 -5.8717 -3.8788 -3.8788 -3.8458 -3.8458 -3.7892 -3.7892 3.6871 3.6871 6.4959 6.4959 7.1453 7.1453 7.2736 7.2736 8.2588 8.2588 8.2966 8.2966 9.0011 9.0011 9.5903 9.5903 9.6448 9.6448 9.8722 9.8722 12.2918 12.2918 13.5470 13.5470 13.5725 13.5725 13.9551 13.9551 k = 0.0000 0.3500-0.0000 ( 5114 PWs) bands (ev): -46.3004 -46.3004 -22.9768 -22.9768 -22.3383 -22.3383 -22.3062 -22.3062 -6.8598 -6.8598 -6.5174 -6.5174 -6.4696 -6.4696 -5.9841 -5.9841 -5.8696 -5.8696 -3.8821 -3.8821 -3.8468 -3.8468 -3.7888 -3.7888 3.6580 3.6580 6.4393 6.4393 7.1727 7.1727 7.3001 7.3001 8.2134 8.2134 8.2521 8.2521 8.9938 8.9938 9.5983 9.5983 9.6497 9.6497 9.9494 9.9494 12.2921 12.2921 13.5942 13.5942 13.6201 13.6201 13.8406 13.8406 k = 0.0000 0.3625-0.0000 ( 5114 PWs) bands (ev): -46.3004 -46.3004 -22.9774 -22.9774 -22.3394 -22.3394 -22.3061 -22.3061 -6.8434 -6.8434 -6.5153 -6.5153 -6.4647 -6.4647 -5.9871 -5.9871 -5.8675 -5.8675 -3.8853 -3.8853 -3.8477 -3.8477 -3.7885 -3.7885 3.6312 3.6312 6.3849 6.3849 7.2005 7.2005 7.3271 7.3271 8.1690 8.1690 8.2083 8.2083 8.9870 8.9870 9.6055 9.6055 9.6545 9.6545 10.0275 10.0275 12.2923 12.2923 13.6372 13.6372 13.6647 13.6647 13.7302 13.7302 k = 0.0000 0.3750-0.0000 ( 5118 PWs) bands (ev): -46.3003 -46.3003 -22.9779 -22.9779 -22.3405 -22.3405 -22.3061 -22.3061 -6.8280 -6.8280 -6.5134 -6.5134 -6.4601 -6.4601 -5.9899 -5.9899 -5.8656 -5.8656 -3.8882 -3.8882 -3.8486 -3.8486 -3.7881 -3.7881 3.6068 3.6068 6.3332 6.3332 7.2285 7.2285 7.3545 7.3545 8.1258 8.1258 8.1655 8.1655 8.9806 8.9806 9.6122 9.6122 9.6590 9.6590 10.1054 10.1054 12.2926 12.2926 13.6162 13.6162 13.6844 13.6844 13.7061 13.7061 k = 0.0000 0.3875-0.0000 ( 5118 PWs) bands (ev): -46.3003 -46.3003 -22.9784 -22.9784 -22.3415 -22.3415 -22.3060 -22.3060 -6.8136 -6.8136 -6.5116 -6.5116 -6.4557 -6.4557 -5.9925 -5.9925 -5.8639 -5.8639 -3.8910 -3.8910 -3.8494 -3.8494 -3.7878 -3.7878 3.5848 3.5848 6.2849 6.2849 7.2567 7.2567 7.3821 7.3821 8.0839 8.0839 8.1239 8.1239 8.9747 8.9747 9.6182 9.6182 9.6634 9.6634 10.1820 10.1820 12.2928 12.2928 13.5149 13.5149 13.7202 13.7202 13.7443 13.7443 k = 0.0000 0.4000-0.0000 ( 5110 PWs) bands (ev): -46.3003 -46.3003 -22.9789 -22.9789 -22.3424 -22.3424 -22.3060 -22.3060 -6.8005 -6.8005 -6.5100 -6.5100 -6.4517 -6.4517 -5.9950 -5.9950 -5.8624 -5.8624 -3.8935 -3.8935 -3.8501 -3.8501 -3.7876 -3.7876 3.5652 3.5652 6.2404 6.2404 7.2847 7.2847 7.4098 7.4098 8.0436 8.0436 8.0835 8.0835 8.9694 8.9694 9.6238 9.6238 9.6673 9.6673 10.2561 10.2561 12.2931 12.2931 13.4173 13.4173 13.7544 13.7545 13.7789 13.7789 k = 0.0000 0.4125-0.0000 ( 5102 PWs) bands (ev): -46.3003 -46.3003 -22.9793 -22.9793 -22.3431 -22.3431 -22.3059 -22.3059 -6.7886 -6.7886 -6.5086 -6.5086 -6.4480 -6.4480 -5.9973 -5.9973 -5.8610 -5.8610 -3.8957 -3.8957 -3.8508 -3.8508 -3.7873 -3.7873 3.5479 3.5479 6.2002 6.2002 7.3122 7.3122 7.4375 7.4375 8.0051 8.0051 8.0447 8.0447 8.9646 8.9646 9.6288 9.6288 9.6710 9.6710 10.3266 10.3266 12.2932 12.2932 13.3260 13.3260 13.7852 13.7852 13.8099 13.8099 k = 0.0000 0.4250-0.0000 ( 5106 PWs) bands (ev): -46.3002 -46.3002 -22.9796 -22.9796 -22.3438 -22.3438 -22.3059 -22.3059 -6.7781 -6.7781 -6.5073 -6.5073 -6.4448 -6.4448 -5.9993 -5.9993 -5.8598 -5.8598 -3.8977 -3.8977 -3.8514 -3.8514 -3.7871 -3.7871 3.5330 3.5330 6.1646 6.1646 7.3389 7.3389 7.4647 7.4647 7.9690 7.9690 8.0078 8.0078 8.9604 8.9604 9.6332 9.6332 9.6742 9.6742 10.3922 10.3922 12.2934 12.2934 13.2426 13.2426 13.8123 13.8123 13.8371 13.8371 k = 0.0000 0.4375-0.0000 ( 5094 PWs) bands (ev): -46.3002 -46.3002 -22.9799 -22.9799 -22.3444 -22.3444 -22.3058 -22.3058 -6.7691 -6.7691 -6.5062 -6.5062 -6.4420 -6.4420 -6.0010 -6.0010 -5.8588 -5.8588 -3.8994 -3.8994 -3.8518 -3.8518 -3.7870 -3.7870 3.5205 3.5205 6.1339 6.1339 7.3642 7.3642 7.4910 7.4910 7.9356 7.9356 7.9732 7.9732 8.9568 8.9568 9.6369 9.6369 9.6770 9.6770 10.4514 10.4514 12.2936 12.2936 13.1683 13.1683 13.8354 13.8354 13.8603 13.8603 k = 0.0000 0.4500-0.0000 ( 5086 PWs) bands (ev): -46.3002 -46.3002 -22.9802 -22.9802 -22.3449 -22.3449 -22.3058 -22.3058 -6.7616 -6.7616 -6.5054 -6.5054 -6.4396 -6.4396 -6.0025 -6.0025 -5.8580 -5.8580 -3.9008 -3.9008 -3.8522 -3.8522 -3.7868 -3.7868 3.5102 3.5102 6.1085 6.1085 7.3873 7.3873 7.5157 7.5157 7.9059 7.9059 7.9417 7.9417 8.9538 8.9538 9.6401 9.6401 9.6794 9.6794 10.5027 10.5027 12.2937 12.2937 13.1047 13.1047 13.8545 13.8545 13.8795 13.8795 k = 0.0000 0.4625-0.0000 ( 5094 PWs) bands (ev): -46.3002 -46.3002 -22.9804 -22.9804 -22.3453 -22.3453 -22.3058 -22.3058 -6.7557 -6.7557 -6.5047 -6.5047 -6.4378 -6.4378 -6.0036 -6.0036 -5.8573 -5.8573 -3.9019 -3.9019 -3.8526 -3.8526 -3.7867 -3.7867 3.5023 3.5023 6.0884 6.0884 7.4074 7.4074 7.5378 7.5378 7.8807 7.8807 7.9143 7.9143 8.9515 8.9515 9.6425 9.6425 9.6812 9.6812 10.5447 10.5447 12.2938 12.2938 13.0532 13.0532 13.8695 13.8695 13.8944 13.8944 k = 0.0000 0.4750-0.0000 ( 5094 PWs) bands (ev): -46.3002 -46.3002 -22.9805 -22.9805 -22.3456 -22.3456 -22.3058 -22.3058 -6.7514 -6.7514 -6.5042 -6.5042 -6.4365 -6.4365 -6.0045 -6.0045 -5.8569 -5.8569 -3.9027 -3.9027 -3.8528 -3.8528 -3.7866 -3.7866 3.4966 3.4966 6.0740 6.0740 7.4231 7.4231 7.5559 7.5559 7.8613 7.8613 7.8925 7.8925 8.9498 8.9498 9.6443 9.6443 9.6826 9.6826 10.5759 10.5759 12.2938 12.2938 13.0152 13.0152 13.8802 13.8802 13.9052 13.9052 k = 0.0000 0.4875-0.0000 ( 5082 PWs) bands (ev): -46.3002 -46.3002 -22.9806 -22.9806 -22.3458 -22.3458 -22.3058 -22.3058 -6.7489 -6.7489 -6.5039 -6.5039 -6.4357 -6.4357 -6.0050 -6.0050 -5.8566 -5.8566 -3.9032 -3.9032 -3.8529 -3.8529 -3.7866 -3.7866 3.4932 3.4932 6.0653 6.0653 7.4333 7.4333 7.5679 7.5679 7.8490 7.8490 7.8783 7.8783 8.9488 8.9488 9.6454 9.6454 9.6834 9.6834 10.5952 10.5952 12.2939 12.2939 12.9919 12.9919 13.8867 13.8867 13.9117 13.9117 k = 0.0000 0.5000-0.0000 ( 5078 PWs) bands (ev): -46.3002 -46.3002 -22.9806 -22.9806 -22.3458 -22.3458 -22.3058 -22.3058 -6.7480 -6.7480 -6.5038 -6.5038 -6.4354 -6.4354 -6.0052 -6.0052 -5.8565 -5.8565 -3.9034 -3.9034 -3.8530 -3.8530 -3.7865 -3.7865 3.4921 3.4921 6.0624 6.0624 7.4368 7.4368 7.5721 7.5721 7.8447 7.8447 7.8732 7.8732 8.9485 8.9485 9.6458 9.6458 9.6837 9.6837 10.6017 10.6017 12.2939 12.2939 12.9840 12.9840 13.8889 13.8889 13.9139 13.9139 k = 0.0000 0.5000-0.0000 ( 5078 PWs) bands (ev): -46.3002 -46.3002 -22.9806 -22.9806 -22.3458 -22.3458 -22.3058 -22.3058 -6.7480 -6.7480 -6.5038 -6.5038 -6.4354 -6.4354 -6.0052 -6.0052 -5.8565 -5.8565 -3.9034 -3.9034 -3.8530 -3.8530 -3.7865 -3.7865 3.4921 3.4921 6.0624 6.0624 7.4368 7.4368 7.5721 7.5721 7.8447 7.8447 7.8732 7.8732 8.9485 8.9485 9.6458 9.6458 9.6837 9.6837 10.6017 10.6017 12.2939 12.2939 12.9840 12.9840 13.8889 13.8889 13.9139 13.9139 k = 0.0125 0.5000-0.0000 ( 5078 PWs) bands (ev): -46.3002 -46.3002 -22.9806 -22.9806 -22.3458 -22.3458 -22.3058 -22.3058 -6.7478 -6.7478 -6.5035 -6.5035 -6.4353 -6.4353 -6.0050 -6.0050 -5.8562 -5.8562 -3.9032 -3.9032 -3.8529 -3.8529 -3.7865 -3.7865 3.4912 3.4912 6.0625 6.0625 7.4368 7.4368 7.5719 7.5719 7.8433 7.8433 7.8719 7.8719 8.9514 8.9514 9.6418 9.6418 9.6798 9.6798 10.5997 10.5997 12.2971 12.2971 12.9879 12.9879 13.8893 13.8893 13.9143 13.9143 k = 0.0250 0.5000-0.0000 ( 5086 PWs) bands (ev): -46.3002 -46.3002 -22.9807 -22.9807 -22.3459 -22.3459 -22.3059 -22.3059 -6.7471 -6.7471 -6.5026 -6.5026 -6.4352 -6.4352 -6.0045 -6.0045 -5.8555 -5.8555 -3.9029 -3.9029 -3.8528 -3.8528 -3.7866 -3.7866 3.4886 3.4886 6.0627 6.0627 7.4365 7.4365 7.5714 7.5714 7.8381 7.8381 7.8689 7.8689 8.9600 8.9600 9.6295 9.6295 9.6689 9.6689 10.5939 10.5939 12.3068 12.3068 12.9995 12.9995 13.8906 13.8906 13.9158 13.9158 k = 0.0375 0.5000-0.0000 ( 5090 PWs) bands (ev): -46.3002 -46.3002 -22.9808 -22.9808 -22.3460 -22.3460 -22.3062 -22.3062 -6.7460 -6.7460 -6.5010 -6.5010 -6.4350 -6.4350 -6.0037 -6.0037 -5.8542 -5.8542 -3.9023 -3.9023 -3.8526 -3.8526 -3.7866 -3.7866 3.4844 3.4844 6.0631 6.0631 7.4360 7.4360 7.5708 7.5708 7.8272 7.8272 7.8662 7.8662 8.9741 8.9741 9.6075 9.6075 9.6528 9.6528 10.5841 10.5841 12.3227 12.3227 13.0186 13.0186 13.8924 13.8924 13.9185 13.9185 k = 0.0500 0.5000-0.0000 ( 5088 PWs) bands (ev): -46.3001 -46.3001 -22.9810 -22.9810 -22.3461 -22.3461 -22.3065 -22.3065 -6.7446 -6.7446 -6.4988 -6.4988 -6.4346 -6.4346 -6.0026 -6.0026 -5.8524 -5.8524 -3.9014 -3.9014 -3.8524 -3.8524 -3.7866 -3.7866 3.4785 3.4785 6.0637 6.0637 7.4349 7.4349 7.5705 7.5705 7.8097 7.8097 7.8649 7.8649 8.9936 8.9936 9.5750 9.5750 9.6331 9.6331 10.5706 10.5706 12.3447 12.3447 13.0447 13.0447 13.8944 13.8944 13.9227 13.9227 k = 0.0625 0.5000-0.0000 ( 5084 PWs) bands (ev): -46.3001 -46.3001 -22.9812 -22.9812 -22.3462 -22.3462 -22.3068 -22.3068 -6.7429 -6.7429 -6.4959 -6.4959 -6.4340 -6.4340 -6.0011 -6.0011 -5.8502 -5.8502 -3.9004 -3.9004 -3.8520 -3.8520 -3.7865 -3.7865 3.4709 3.4709 6.0644 6.0644 7.4332 7.4332 7.5710 7.5710 7.7859 7.7859 7.8648 7.8648 9.0179 9.0179 9.5325 9.5325 9.6103 9.6103 10.5534 10.5534 12.3724 12.3724 13.0774 13.0774 13.8963 13.8963 13.9289 13.9289 k = 0.0750 0.5000-0.0000 ( 5088 PWs) bands (ev): -46.3001 -46.3001 -22.9814 -22.9814 -22.3463 -22.3463 -22.3073 -22.3073 -6.7411 -6.7411 -6.4923 -6.4923 -6.4332 -6.4332 -5.9993 -5.9993 -5.8475 -5.8475 -3.8992 -3.8992 -3.8516 -3.8516 -3.7865 -3.7865 3.4618 3.4618 6.0653 6.0653 7.4305 7.4305 7.5728 7.5728 7.7565 7.7565 7.8654 7.8654 9.0468 9.0468 9.4812 9.4812 9.5845 9.5845 10.5326 10.5326 12.4054 12.4054 13.1160 13.1160 13.8979 13.8979 13.9369 13.9369 k = 0.0875 0.5000-0.0000 ( 5100 PWs) bands (ev): -46.3001 -46.3001 -22.9817 -22.9817 -22.3465 -22.3465 -22.3078 -22.3078 -6.7392 -6.7392 -6.4880 -6.4880 -6.4320 -6.4320 -5.9971 -5.9971 -5.8446 -5.8446 -3.8979 -3.8979 -3.8511 -3.8511 -3.7864 -3.7864 3.4512 3.4512 6.0663 6.0663 7.4267 7.4267 7.5761 7.5761 7.7220 7.7220 7.8666 7.8666 9.0796 9.0796 9.4225 9.4225 9.5557 9.5557 10.5085 10.5085 12.4434 12.4434 13.1598 13.1598 13.8993 13.8993 13.9469 13.9469 k = 0.1000 0.5000-0.0000 ( 5086 PWs) bands (ev): -46.3001 -46.3001 -22.9820 -22.9820 -22.3468 -22.3468 -22.3084 -22.3084 -6.7374 -6.7374 -6.4830 -6.4830 -6.4304 -6.4304 -5.9944 -5.9944 -5.8413 -5.8413 -3.8964 -3.8964 -3.8506 -3.8506 -3.7862 -3.7862 3.4391 3.4391 6.0675 6.0675 7.4221 7.4221 7.5811 7.5811 7.6829 7.6829 7.8683 7.8683 9.1160 9.1160 9.3574 9.3574 9.5240 9.5240 10.4810 10.4810 12.4858 12.4858 13.2083 13.2083 13.9005 13.9005 13.9587 13.9587 k = 0.1125 0.5000-0.0000 ( 5094 PWs) bands (ev): -46.3000 -46.3000 -22.9824 -22.9824 -22.3470 -22.3470 -22.3090 -22.3090 -6.7359 -6.7359 -6.4776 -6.4776 -6.4280 -6.4280 -5.9914 -5.9914 -5.8378 -5.8378 -3.8949 -3.8949 -3.8499 -3.8499 -3.7859 -3.7859 3.4258 3.4258 6.0688 6.0688 7.4165 7.4165 7.5877 7.5877 7.6400 7.6400 7.8703 7.8703 9.1554 9.1554 9.2872 9.2872 9.4899 9.4899 10.4505 10.4505 12.5322 12.5322 13.2606 13.2606 13.9015 13.9015 13.9722 13.9722 k = 0.1250 0.5000-0.0000 ( 5096 PWs) bands (ev): -46.3000 -46.3000 -22.9828 -22.9828 -22.3473 -22.3473 -22.3097 -22.3097 -6.7346 -6.7346 -6.4720 -6.4720 -6.4245 -6.4245 -5.9879 -5.9879 -5.8341 -5.8341 -3.8934 -3.8934 -3.8492 -3.8492 -3.7854 -3.7854 3.4111 3.4111 6.0702 6.0702 7.4102 7.4102 7.5862 7.5862 7.6034 7.6034 7.8727 7.8727 9.1973 9.1973 9.2129 9.2129 9.4535 9.4535 10.4172 10.4172 12.5821 12.5821 13.3161 13.3161 13.9024 13.9024 13.9872 13.9872 k = 0.1375 0.5000-0.0000 ( 5096 PWs) bands (ev): -46.3000 -46.3000 -22.9832 -22.9832 -22.3477 -22.3477 -22.3105 -22.3105 -6.7337 -6.7337 -6.4665 -6.4665 -6.4195 -6.4195 -5.9840 -5.9840 -5.8302 -5.8302 -3.8919 -3.8919 -3.8484 -3.8484 -3.7848 -3.7848 3.3954 3.3954 6.0717 6.0717 7.4032 7.4032 7.5404 7.5404 7.6098 7.6098 7.8753 7.8753 9.1353 9.1353 9.2413 9.2413 9.4153 9.4153 10.3813 10.3813 12.6351 12.6351 13.3741 13.3741 13.9033 13.9033 14.0037 14.0037 k = 0.1500 0.5000-0.0000 ( 5084 PWs) bands (ev): -46.2999 -46.2999 -22.9837 -22.9837 -22.3480 -22.3480 -22.3112 -22.3112 -6.7333 -6.7333 -6.4616 -6.4616 -6.4127 -6.4127 -5.9797 -5.9797 -5.8263 -5.8263 -3.8904 -3.8904 -3.8476 -3.8476 -3.7839 -3.7839 3.3786 3.3786 6.0733 6.0733 7.3947 7.3947 7.4891 7.4891 7.6217 7.6217 7.8783 7.8783 9.0555 9.0555 9.2866 9.2866 9.3757 9.3757 10.3430 10.3430 12.6907 12.6907 13.4339 13.4339 13.9042 13.9042 14.0216 14.0216 k = 0.1625 0.5000-0.0000 ( 5090 PWs) bands (ev): -46.2999 -46.2999 -22.9842 -22.9842 -22.3485 -22.3485 -22.3120 -22.3120 -6.7334 -6.7334 -6.4576 -6.4576 -6.4036 -6.4036 -5.9749 -5.9749 -5.8223 -5.8223 -3.8890 -3.8890 -3.8468 -3.8468 -3.7828 -3.7828 3.3608 3.3608 6.0749 6.0749 7.3804 7.3804 7.4409 7.4409 7.6354 7.6354 7.8816 7.8816 8.9742 8.9742 9.3303 9.3303 9.3374 9.3374 10.3028 10.3028 12.7484 12.7484 13.4949 13.4949 13.9050 13.9050 14.0407 14.0407 k = 0.1750 0.5000-0.0000 ( 5090 PWs) bands (ev): -46.2999 -46.2999 -22.9847 -22.9847 -22.3489 -22.3489 -22.3128 -22.3128 -6.7341 -6.7341 -6.4544 -6.4544 -6.3925 -6.3925 -5.9696 -5.9696 -5.8184 -5.8184 -3.8877 -3.8877 -3.8461 -3.8461 -3.7813 -3.7813 3.3423 3.3423 6.0766 6.0766 7.3459 7.3459 7.4112 7.4112 7.6505 7.6505 7.8853 7.8853 8.8922 8.8922 9.2928 9.2928 9.3799 9.3799 10.2610 10.2610 12.8079 12.8079 13.5564 13.5564 13.9058 13.9058 14.0611 14.0611 k = 0.1875 0.5000-0.0000 ( 5094 PWs) bands (ev): -46.2998 -46.2998 -22.9852 -22.9852 -22.3495 -22.3495 -22.3135 -22.3135 -6.7352 -6.7352 -6.4519 -6.4519 -6.3795 -6.3795 -5.9640 -5.9640 -5.8145 -5.8145 -3.8866 -3.8866 -3.8454 -3.8454 -3.7796 -3.7796 3.3231 3.3231 6.0784 6.0784 7.2916 7.2916 7.4001 7.4001 7.6666 7.6666 7.8892 7.8892 8.8101 8.8101 9.2505 9.2505 9.4262 9.4262 10.2181 10.2181 12.8687 12.8687 13.6178 13.6178 13.9067 13.9067 14.0827 14.0827 k = 0.2000 0.5000-0.0000 ( 5090 PWs) bands (ev): -46.2998 -46.2998 -22.9858 -22.9858 -22.3500 -22.3500 -22.3143 -22.3143 -6.7369 -6.7369 -6.4499 -6.4499 -6.3648 -6.3648 -5.9579 -5.9579 -5.8108 -5.8108 -3.8855 -3.8855 -3.8448 -3.8448 -3.7774 -3.7774 3.3034 3.3034 6.0801 6.0801 7.2303 7.2303 7.3955 7.3955 7.6838 7.6838 7.8934 7.8934 8.7286 8.7286 9.2078 9.2078 9.4716 9.4716 10.1746 10.1746 12.9305 12.9305 13.6784 13.6784 13.9075 13.9075 14.1053 14.1053 k = 0.2125 0.5000-0.0000 ( 5102 PWs) bands (ev): -46.2997 -46.2997 -22.9864 -22.9864 -22.3507 -22.3507 -22.3151 -22.3151 -6.7390 -6.7390 -6.4483 -6.4483 -6.3488 -6.3488 -5.9514 -5.9514 -5.8072 -5.8072 -3.8847 -3.8847 -3.8443 -3.8443 -3.7749 -3.7749 3.2832 3.2832 6.0818 6.0818 7.1662 7.1662 7.3936 7.3936 7.7017 7.7017 7.8980 7.8980 8.6481 8.6481 9.1650 9.1650 9.5150 9.5150 10.1316 10.1316 12.9928 12.9928 13.7376 13.7376 13.9084 13.9084 14.1289 14.1289 k = 0.2250 0.5000-0.0000 ( 5110 PWs) bands (ev): -46.2997 -46.2997 -22.9870 -22.9870 -22.3513 -22.3513 -22.3158 -22.3158 -6.7414 -6.7414 -6.4469 -6.4469 -6.3317 -6.3317 -5.9445 -5.9445 -5.8038 -5.8038 -3.8839 -3.8839 -3.8440 -3.8440 -3.7721 -3.7721 3.2628 3.2628 6.0834 6.0834 7.1007 7.1007 7.3936 7.3936 7.7203 7.7203 7.9029 7.9029 8.5692 8.5692 9.1223 9.1223 9.5552 9.5552 10.0900 10.0900 13.0554 13.0554 13.7947 13.7947 13.9093 13.9093 14.1535 14.1535 k = 0.2375 0.5000-0.0000 ( 5102 PWs) bands (ev): -46.2997 -46.2997 -22.9876 -22.9876 -22.3520 -22.3520 -22.3165 -22.3165 -6.7443 -6.7443 -6.4457 -6.4457 -6.3137 -6.3137 -5.9373 -5.9373 -5.8006 -5.8006 -3.8833 -3.8833 -3.8438 -3.8438 -3.7689 -3.7689 3.2422 3.2422 6.0849 6.0849 7.0345 7.0345 7.3954 7.3954 7.7394 7.7394 7.9081 7.9081 8.4922 8.4922 9.0799 9.0799 9.5903 9.5903 10.0519 10.0519 13.1178 13.1178 13.8490 13.8490 13.9104 13.9104 14.1790 14.1790 k = 0.2500 0.5000-0.0000 ( 5102 PWs) bands (ev): -46.2996 -46.2996 -22.9882 -22.9882 -22.3528 -22.3528 -22.3172 -22.3172 -6.7474 -6.7474 -6.4446 -6.4446 -6.2951 -6.2951 -5.9297 -5.9297 -5.7977 -5.7977 -3.8829 -3.8829 -3.8438 -3.8438 -3.7654 -3.7654 3.2216 3.2216 6.0862 6.0862 6.9682 6.9682 7.3986 7.3986 7.7588 7.7588 7.9136 7.9136 8.4176 8.4176 9.0381 9.0381 9.6176 9.6176 10.0198 10.0198 13.1797 13.1797 13.8984 13.8984 13.9131 13.9131 14.2052 14.2052 k = 0.2625 0.5000-0.0000 ( 5102 PWs) bands (ev): -46.2996 -46.2996 -22.9888 -22.9888 -22.3535 -22.3535 -22.3178 -22.3178 -6.7508 -6.7508 -6.4436 -6.4436 -6.2760 -6.2760 -5.9219 -5.9219 -5.7951 -5.7951 -3.8825 -3.8825 -3.8439 -3.8439 -3.7617 -3.7617 3.2011 3.2011 6.0872 6.0872 6.9023 6.9023 7.4033 7.4033 7.7785 7.7785 7.9194 7.9194 8.3457 8.3457 8.9968 8.9968 9.6338 9.6338 9.9973 9.9973 13.2409 13.2409 13.9107 13.9107 13.9493 13.9493 14.2320 14.2320 k = 0.2750 0.5000-0.0000 ( 5106 PWs) bands (ev): -46.2995 -46.2995 -22.9894 -22.9894 -22.3543 -22.3543 -22.3184 -22.3184 -6.7543 -6.7543 -6.4427 -6.4427 -6.2566 -6.2566 -5.9139 -5.9139 -5.7928 -5.7928 -3.8823 -3.8823 -3.8441 -3.8441 -3.7577 -3.7577 3.1808 3.1808 6.0879 6.0879 6.8374 6.8374 7.4094 7.4094 7.7982 7.7982 7.9256 7.9256 8.2768 8.2768 8.9564 8.9564 9.6354 9.6354 9.9875 9.9875 13.3010 13.3010 13.9120 13.9120 13.9925 13.9925 14.2592 14.2592 k = 0.2875 0.5000-0.0000 ( 5110 PWs) bands (ev): -46.2995 -46.2995 -22.9901 -22.9901 -22.3551 -22.3551 -22.3190 -22.3190 -6.7580 -6.7580 -6.4419 -6.4419 -6.2371 -6.2371 -5.9056 -5.9056 -5.7909 -5.7909 -3.8821 -3.8821 -3.8445 -3.8445 -3.7536 -3.7536 3.1608 3.1608 6.0881 6.0881 6.7739 6.7739 7.4167 7.4167 7.8177 7.8177 7.9320 7.9320 8.2111 8.2111 8.9169 8.9169 9.6219 9.6219 9.9914 9.9914 13.3598 13.3598 13.9129 13.9129 14.0317 14.0317 14.2867 14.2867 k = 0.3000 0.5000-0.0000 ( 5110 PWs) bands (ev): -46.2994 -46.2994 -22.9907 -22.9907 -22.3560 -22.3560 -22.3195 -22.3195 -6.7617 -6.7617 -6.4411 -6.4411 -6.2177 -6.2177 -5.8973 -5.8973 -5.7892 -5.7892 -3.8821 -3.8821 -3.8449 -3.8449 -3.7494 -3.7494 3.1413 3.1413 6.0877 6.0877 6.7125 6.7125 7.4252 7.4252 7.8369 7.8369 7.9388 7.9388 8.1490 8.1490 8.8786 8.8786 9.5957 9.5957 10.0064 10.0064 13.4169 13.4169 13.9137 13.9137 14.0666 14.0666 14.3140 14.3140 k = 0.3125 0.5000-0.0000 ( 5114 PWs) bands (ev): -46.2994 -46.2994 -22.9913 -22.9913 -22.3568 -22.3568 -22.3200 -22.3200 -6.7654 -6.7654 -6.4403 -6.4403 -6.1984 -6.1984 -5.8888 -5.8888 -5.7879 -5.7879 -3.8821 -3.8821 -3.8454 -3.8454 -3.7452 -3.7452 3.1225 3.1225 6.0866 6.0866 6.6535 6.6535 7.4345 7.4345 7.8554 7.8554 7.9458 7.9458 8.0908 8.0908 8.8414 8.8414 9.5608 9.5608 10.0287 10.0287 13.4720 13.4720 13.9145 13.9145 14.0971 14.0971 14.3409 14.3409 k = 0.3250 0.5000-0.0000 ( 5112 PWs) bands (ev): -46.2994 -46.2994 -22.9918 -22.9918 -22.3577 -22.3577 -22.3204 -22.3204 -6.7691 -6.7691 -6.4396 -6.4396 -6.1795 -6.1795 -5.8803 -5.8803 -5.7870 -5.7870 -3.8822 -3.8822 -3.8459 -3.8459 -3.7410 -3.7410 3.1043 3.1043 6.0845 6.0845 6.5977 6.5977 7.4446 7.4446 7.8727 7.8727 7.9531 7.9531 8.0371 8.0371 8.8055 8.8055 9.5206 9.5206 10.0551 10.0551 13.5250 13.5250 13.9153 13.9153 14.1234 14.1234 14.3671 14.3671 k = 0.3375 0.5000-0.0000 ( 5126 PWs) bands (ev): -46.2993 -46.2993 -22.9924 -22.9924 -22.3585 -22.3585 -22.3208 -22.3208 -6.7727 -6.7727 -6.4390 -6.4390 -6.1612 -6.1612 -5.8719 -5.8719 -5.7864 -5.7864 -3.8824 -3.8824 -3.8464 -3.8464 -3.7368 -3.7368 3.0868 3.0868 6.0812 6.0812 6.5455 6.5455 7.4551 7.4551 7.8874 7.8874 7.9606 7.9606 7.9895 7.9895 8.7712 8.7712 9.4778 9.4778 10.0831 10.0831 13.5755 13.5755 13.9160 13.9160 14.1456 14.1456 14.3923 14.3923 k = 0.3500 0.5000-0.0000 ( 5122 PWs) bands (ev): -46.2993 -46.2993 -22.9929 -22.9929 -22.3593 -22.3593 -22.3211 -22.3211 -6.7761 -6.7761 -6.4383 -6.4383 -6.1434 -6.1434 -5.8636 -5.8636 -5.7862 -5.7862 -3.8826 -3.8826 -3.8469 -3.8469 -3.7328 -3.7328 3.0703 3.0703 6.0764 6.0764 6.4975 6.4975 7.4657 7.4657 7.8937 7.8937 7.9534 7.9534 7.9688 7.9688 8.7383 8.7383 9.4339 9.4339 10.1114 10.1114 13.6234 13.6234 13.9167 13.9167 14.1641 14.1641 14.4164 14.4164 k = 0.3625 0.5000-0.0000 ( 5126 PWs) bands (ev): -46.2992 -46.2992 -22.9934 -22.9934 -22.3601 -22.3601 -22.3214 -22.3214 -6.7795 -6.7795 -6.4377 -6.4377 -6.1264 -6.1264 -5.8556 -5.8556 -5.7862 -5.7862 -3.8829 -3.8829 -3.8475 -3.8475 -3.7289 -3.7289 3.0548 3.0548 6.0701 6.0701 6.4542 6.4542 7.4760 7.4760 7.8768 7.8768 7.9446 7.9446 7.9767 7.9767 8.7072 8.7072 9.3901 9.3901 10.1390 10.1390 13.6683 13.6683 13.9174 13.9174 14.1791 14.1791 14.4391 14.4391 k = 0.3750 0.5000-0.0000 ( 5134 PWs) bands (ev): -46.2992 -46.2992 -22.9939 -22.9939 -22.3608 -22.3608 -22.3217 -22.3217 -6.7826 -6.7826 -6.4372 -6.4372 -6.1104 -6.1104 -5.8478 -5.8478 -5.7866 -5.7866 -3.8832 -3.8832 -3.8479 -3.8479 -3.7252 -3.7252 3.0403 3.0403 6.0619 6.0619 6.4162 6.4162 7.4856 7.4856 7.8462 7.8462 7.9531 7.9531 7.9848 7.9848 8.6779 8.6779 9.3473 9.3473 10.1652 10.1652 13.7101 13.7101 13.9181 13.9181 14.1910 14.1910 14.4605 14.4605 k = 0.3875 0.5000-0.0000 ( 5136 PWs) bands (ev): -46.2992 -46.2992 -22.9943 -22.9943 -22.3615 -22.3615 -22.3219 -22.3219 -6.7855 -6.7855 -6.4367 -6.4367 -6.0953 -6.0953 -5.8405 -5.8405 -5.7872 -5.7872 -3.8835 -3.8835 -3.8484 -3.8484 -3.7218 -3.7218 3.0270 3.0270 6.0518 6.0518 6.3836 6.3836 7.4939 7.4939 7.8163 7.8163 7.9647 7.9647 7.9931 7.9931 8.6506 8.6506 9.3063 9.3063 10.1897 10.1897 13.7485 13.7485 13.9187 13.9187 14.2002 14.2002 14.4803 14.4803 k = 0.4000 0.5000-0.0000 ( 5138 PWs) bands (ev): -46.2992 -46.2992 -22.9947 -22.9947 -22.3622 -22.3622 -22.3221 -22.3221 -6.7882 -6.7882 -6.4363 -6.4363 -6.0815 -6.0815 -5.8336 -5.8336 -5.7880 -5.7880 -3.8838 -3.8838 -3.8488 -3.8488 -3.7186 -3.7186 3.0149 3.0149 6.0402 6.0402 6.3566 6.3566 7.5006 7.5006 7.7904 7.7904 7.9762 7.9762 8.0013 8.0013 8.6254 8.6254 9.2677 9.2677 10.2122 10.2122 13.7834 13.7834 13.9193 13.9193 14.2070 14.2070 14.4984 14.4984 k = 0.4125 0.5000-0.0000 ( 5134 PWs) bands (ev): -46.2991 -46.2991 -22.9951 -22.9951 -22.3627 -22.3627 -22.3223 -22.3223 -6.7907 -6.7907 -6.4359 -6.4359 -6.0688 -6.0688 -5.8272 -5.8272 -5.7889 -5.7889 -3.8841 -3.8841 -3.8492 -3.8492 -3.7157 -3.7157 3.0040 3.0040 6.0273 6.0273 6.3347 6.3347 7.5052 7.5052 7.7695 7.7695 7.9867 7.9867 8.0095 8.0095 8.6025 8.6025 9.2320 9.2320 10.2323 10.2323 13.8145 13.8145 13.9199 13.9199 14.2119 14.2119 14.5149 14.5149 k = 0.4250 0.5000-0.0000 ( 5134 PWs) bands (ev): -46.2991 -46.2991 -22.9954 -22.9954 -22.3633 -22.3633 -22.3224 -22.3224 -6.7928 -6.7928 -6.4355 -6.4355 -6.0576 -6.0576 -5.8216 -5.8216 -5.7900 -5.7900 -3.8844 -3.8844 -3.8495 -3.8495 -3.7132 -3.7132 2.9945 2.9945 6.0140 6.0140 6.3176 6.3176 7.5075 7.5075 7.7537 7.7537 7.9959 7.9959 8.0173 8.0173 8.5821 8.5821 9.1999 9.1999 10.2500 10.2500 13.8417 13.8417 13.9206 13.9206 14.2152 14.2152 14.5294 14.5294 k = 0.4375 0.5000-0.0000 ( 5132 PWs) bands (ev): -46.2991 -46.2991 -22.9957 -22.9957 -22.3637 -22.3637 -22.3225 -22.3225 -6.7946 -6.7946 -6.4353 -6.4353 -6.0478 -6.0478 -5.8167 -5.8167 -5.7910 -5.7910 -3.8847 -3.8847 -3.8498 -3.8498 -3.7110 -3.7110 2.9864 2.9864 6.0011 6.0011 6.3046 6.3046 7.5078 7.5078 7.7427 7.7427 8.0038 8.0038 8.0245 8.0245 8.5644 8.5644 9.1717 9.1717 10.2652 10.2652 13.8647 13.8647 13.9214 13.9214 14.2174 14.2174 14.5420 14.5420 k = 0.4500 0.5000-0.0000 ( 5140 PWs) bands (ev): -46.2991 -46.2991 -22.9959 -22.9959 -22.3641 -22.3641 -22.3226 -22.3226 -6.7961 -6.7961 -6.4350 -6.4350 -6.0396 -6.0396 -5.8126 -5.8126 -5.7919 -5.7919 -3.8850 -3.8850 -3.8500 -3.8500 -3.7092 -3.7092 2.9797 2.9797 5.9893 5.9893 6.2950 6.2950 7.5066 7.5066 7.7356 7.7356 8.0103 8.0103 8.0308 8.0308 8.5495 8.5495 9.1479 9.1479 10.2777 10.2777 13.8833 13.8833 13.9225 13.9225 14.2187 14.2187 14.5525 14.5525 k = 0.4625 0.5000-0.0000 ( 5128 PWs) bands (ev): -46.2991 -46.2991 -22.9961 -22.9961 -22.3644 -22.3644 -22.3227 -22.3227 -6.7973 -6.7973 -6.4348 -6.4348 -6.0332 -6.0332 -5.8094 -5.8094 -5.7927 -5.7927 -3.8851 -3.8851 -3.8502 -3.8502 -3.7077 -3.7077 2.9744 2.9744 5.9793 5.9793 6.2882 6.2882 7.5045 7.5045 7.7314 7.7314 8.0154 8.0154 8.0359 8.0359 8.5376 8.5376 9.1289 9.1289 10.2875 10.2875 13.8971 13.8971 13.9241 13.9241 14.2194 14.2194 14.5608 14.5608 k = 0.4750 0.5000-0.0000 ( 5120 PWs) bands (ev): -46.2991 -46.2991 -22.9962 -22.9962 -22.3646 -22.3646 -22.3228 -22.3228 -6.7982 -6.7982 -6.4347 -6.4347 -6.0285 -6.0285 -5.8071 -5.8071 -5.7932 -5.7932 -3.8853 -3.8853 -3.8503 -3.8503 -3.7067 -3.7067 2.9706 2.9706 5.9718 5.9718 6.2836 6.2836 7.5024 7.5024 7.7293 7.7293 8.0191 8.0191 8.0398 8.0398 8.5290 8.5290 9.1151 9.1151 10.2945 10.2945 13.9058 13.9058 13.9264 13.9264 14.2198 14.2198 14.5667 14.5667 k = 0.4875 0.5000-0.0000 ( 5112 PWs) bands (ev): -46.2991 -46.2991 -22.9963 -22.9963 -22.3647 -22.3647 -22.3228 -22.3228 -6.7987 -6.7987 -6.4346 -6.4346 -6.0256 -6.0256 -5.8058 -5.8058 -5.7936 -5.7936 -3.8854 -3.8854 -3.8504 -3.8504 -3.7061 -3.7061 2.9684 2.9684 5.9671 5.9671 6.2810 6.2810 7.5009 7.5009 7.7284 7.7284 8.0214 8.0214 8.0421 8.0421 8.5238 8.5238 9.1067 9.1067 10.2987 10.2987 13.9100 13.9100 13.9289 13.9289 14.2199 14.2199 14.5704 14.5704 k = 0.5000 0.5000-0.0000 ( 5112 PWs) bands (ev): -46.2991 -46.2991 -22.9963 -22.9963 -22.3648 -22.3648 -22.3228 -22.3228 -6.7989 -6.7989 -6.4346 -6.4346 -6.0247 -6.0247 -5.8054 -5.8054 -5.7937 -5.7937 -3.8854 -3.8854 -3.8504 -3.8504 -3.7059 -3.7059 2.9676 2.9676 5.9656 5.9656 6.2802 6.2802 7.5004 7.5004 7.7281 7.7281 8.0221 8.0221 8.0429 8.0429 8.5221 8.5221 9.1039 9.1039 10.3002 10.3002 13.9112 13.9112 13.9299 13.9299 14.2200 14.2200 14.5716 14.5716 k = 0.5000 0.5000-0.0000 ( 5112 PWs) bands (ev): -46.2991 -46.2991 -22.9963 -22.9963 -22.3648 -22.3648 -22.3228 -22.3228 -6.7989 -6.7989 -6.4346 -6.4346 -6.0247 -6.0247 -5.8054 -5.8054 -5.7937 -5.7937 -3.8854 -3.8854 -3.8504 -3.8504 -3.7059 -3.7059 2.9676 2.9676 5.9656 5.9656 6.2802 6.2802 7.5004 7.5004 7.7281 7.7281 8.0221 8.0221 8.0429 8.0429 8.5221 8.5221 9.1039 9.1039 10.3002 10.3002 13.9112 13.9112 13.9299 13.9299 14.2200 14.2200 14.5716 14.5716 k = 0.4911 0.4911-0.0000 ( 5112 PWs) bands (ev): -46.2991 -46.2991 -22.9963 -22.9963 -22.3647 -22.3647 -22.3228 -22.3228 -6.7987 -6.7987 -6.4346 -6.4346 -6.0256 -6.0256 -5.8058 -5.8058 -5.7936 -5.7936 -3.8854 -3.8854 -3.8504 -3.8504 -3.7061 -3.7061 2.9684 2.9684 5.9672 5.9672 6.2811 6.2811 7.5009 7.5009 7.7284 7.7284 8.0213 8.0213 8.0422 8.0422 8.5239 8.5239 9.1068 9.1068 10.2987 10.2987 13.9101 13.9101 13.9288 13.9288 14.2199 14.2199 14.5703 14.5703 k = 0.4821 0.4821-0.0000 ( 5122 PWs) bands (ev): -46.2991 -46.2991 -22.9962 -22.9962 -22.3646 -22.3646 -22.3228 -22.3228 -6.7982 -6.7982 -6.4347 -6.4347 -6.0286 -6.0286 -5.8072 -5.8072 -5.7933 -5.7933 -3.8853 -3.8853 -3.8503 -3.8503 -3.7067 -3.7067 2.9707 2.9707 5.9720 5.9720 6.2836 6.2836 7.5026 7.5026 7.7291 7.7291 8.0177 8.0177 8.0412 8.0412 8.5291 8.5291 9.1154 9.1154 10.2944 10.2944 13.9067 13.9067 13.9254 13.9254 14.2198 14.2198 14.5666 14.5666 k = 0.4732 0.4732-0.0000 ( 5132 PWs) bands (ev): -46.2991 -46.2991 -22.9961 -22.9961 -22.3644 -22.3644 -22.3227 -22.3227 -6.7973 -6.7973 -6.4348 -6.4348 -6.0334 -6.0334 -5.8094 -5.8094 -5.7927 -5.7927 -3.8851 -3.8851 -3.8502 -3.8502 -3.7078 -3.7078 2.9746 2.9746 5.9801 5.9801 6.2878 6.2878 7.5055 7.5055 7.7305 7.7305 8.0095 8.0095 8.0420 8.0420 8.5376 8.5376 9.1295 9.1295 10.2873 10.2873 13.9010 13.9010 13.9198 13.9198 14.2194 14.2194 14.5605 14.5605 k = 0.4643 0.4643-0.0000 ( 5124 PWs) bands (ev): -46.2991 -46.2991 -22.9959 -22.9959 -22.3641 -22.3641 -22.3226 -22.3226 -6.7961 -6.7961 -6.4350 -6.4350 -6.0400 -6.0400 -5.8126 -5.8126 -5.7920 -5.7920 -3.8849 -3.8849 -3.8500 -3.8500 -3.7092 -3.7092 2.9800 2.9800 5.9914 5.9914 6.2937 6.2937 7.5094 7.5094 7.7326 7.7326 7.9966 7.9966 8.0451 8.0451 8.5489 8.5489 9.1490 9.1490 10.2773 10.2773 13.8930 13.8930 13.9120 13.9120 14.2188 14.2188 14.5520 14.5520 k = 0.4554 0.4554-0.0000 ( 5124 PWs) bands (ev): -46.2991 -46.2991 -22.9957 -22.9957 -22.3637 -22.3637 -22.3225 -22.3225 -6.7946 -6.7946 -6.4353 -6.4353 -6.0484 -6.0484 -5.8166 -5.8166 -5.7911 -5.7911 -3.8847 -3.8847 -3.8498 -3.8498 -3.7111 -3.7111 2.9869 2.9869 6.0060 6.0060 6.3012 6.3012 7.5144 7.5144 7.7355 7.7355 7.9799 7.9799 8.0501 8.0501 8.5627 8.5627 9.1736 9.1736 10.2647 10.2647 13.8826 13.8826 13.9021 13.9021 14.2177 14.2177 14.5411 14.5411 k = 0.4464 0.4464-0.0000 ( 5135 PWs) bands (ev): -46.2991 -46.2991 -22.9954 -22.9954 -22.3632 -22.3632 -22.3224 -22.3224 -6.7928 -6.7928 -6.4356 -6.4356 -6.0586 -6.0586 -5.8215 -5.8215 -5.7902 -5.7902 -3.8844 -3.8844 -3.8495 -3.8495 -3.7133 -3.7133 2.9954 2.9954 6.0237 6.0237 6.3103 6.3103 7.5204 7.5204 7.7394 7.7394 7.9601 7.9601 8.0568 8.0568 8.5785 8.5785 9.2029 9.2029 10.2494 10.2494 13.8699 13.8699 13.8902 13.8902 14.2159 14.2159 14.5281 14.5281 k = 0.4375 0.4375-0.0000 ( 5135 PWs) bands (ev): -46.2991 -46.2991 -22.9950 -22.9950 -22.3626 -22.3626 -22.3223 -22.3223 -6.7908 -6.7908 -6.4360 -6.4360 -6.0703 -6.0703 -5.8271 -5.8271 -5.7893 -5.7893 -3.8840 -3.8840 -3.8492 -3.8492 -3.7158 -3.7158 3.0053 3.0053 6.0446 6.0446 6.3209 6.3209 7.5273 7.5273 7.7445 7.7445 7.9379 7.9379 8.0648 8.0648 8.5960 8.5960 9.2365 9.2365 10.2317 10.2317 13.8549 13.8549 13.8763 13.8763 14.2132 14.2132 14.5128 14.5128 k = 0.4286 0.4286-0.0000 ( 5121 PWs) bands (ev): -46.2992 -46.2992 -22.9947 -22.9947 -22.3620 -22.3620 -22.3221 -22.3221 -6.7886 -6.7886 -6.4365 -6.4365 -6.0836 -6.0836 -5.8333 -5.8333 -5.7884 -5.7884 -3.8836 -3.8836 -3.8488 -3.8488 -3.7186 -3.7186 3.0168 3.0168 6.0687 6.0687 6.3329 6.3329 7.5351 7.5351 7.7509 7.7509 7.9137 7.9137 8.0743 8.0743 8.6149 8.6149 9.2740 9.2740 10.2116 10.2116 13.8375 13.8375 13.8606 13.8606 14.2094 14.2094 14.4955 14.4955 k = 0.4196 0.4196-0.0000 ( 5125 PWs) bands (ev): -46.2992 -46.2992 -22.9942 -22.9942 -22.3613 -22.3613 -22.3220 -22.3220 -6.7862 -6.7862 -6.4371 -6.4371 -6.0983 -6.0983 -5.8400 -5.8400 -5.7877 -5.7877 -3.8832 -3.8832 -3.8484 -3.8484 -3.7217 -3.7217 3.0298 3.0298 6.0959 6.0959 6.3463 6.3463 7.5437 7.5437 7.7587 7.7587 7.8880 7.8880 8.0850 8.0850 8.6349 8.6349 9.3148 9.3148 10.1892 10.1892 13.8178 13.8178 13.8430 13.8430 14.2043 14.2043 14.4763 14.4763 k = 0.4107 0.4107-0.0000 ( 5125 PWs) bands (ev): -46.2992 -46.2992 -22.9938 -22.9938 -22.3605 -22.3605 -22.3218 -22.3218 -6.7837 -6.7837 -6.4378 -6.4378 -6.1143 -6.1143 -5.8472 -5.8472 -5.7871 -5.7871 -3.8827 -3.8827 -3.8480 -3.8480 -3.7251 -3.7251 3.0442 3.0442 6.1262 6.1262 6.3610 6.3610 7.5531 7.5531 7.7678 7.7678 7.8616 7.8616 8.0971 8.0971 8.6557 8.6557 9.3584 9.3584 10.1647 10.1647 13.7959 13.7959 13.8235 13.8235 14.1978 14.1978 14.4552 14.4552 k = 0.4018 0.4018-0.0000 ( 5111 PWs) bands (ev): -46.2993 -46.2993 -22.9932 -22.9932 -22.3596 -22.3596 -22.3216 -22.3216 -6.7811 -6.7811 -6.4386 -6.4386 -6.1315 -6.1315 -5.8548 -5.8548 -5.7868 -5.7868 -3.8822 -3.8822 -3.8475 -3.8475 -3.7286 -3.7286 3.0601 3.0601 6.1594 6.1594 6.3769 6.3769 7.5630 7.5630 7.7772 7.7772 7.8358 7.8358 8.1103 8.1103 8.6773 8.6773 9.4041 9.4041 10.1383 10.1383 13.7718 13.7718 13.8023 13.8023 14.1896 14.1896 14.4322 14.4322 k = 0.3929 0.3929-0.0000 ( 5115 PWs) bands (ev): -46.2993 -46.2993 -22.9927 -22.9927 -22.3587 -22.3587 -22.3213 -22.3213 -6.7786 -6.7786 -6.4395 -6.4395 -6.1499 -6.1499 -5.8627 -5.8627 -5.7868 -5.7868 -3.8817 -3.8817 -3.8469 -3.8469 -3.7323 -3.7323 3.0775 3.0775 6.1956 6.1956 6.3939 6.3939 7.5735 7.5735 7.7807 7.7807 7.8175 7.8175 8.1248 8.1248 8.6996 8.6996 9.4514 9.4514 10.1102 10.1102 13.7456 13.7456 13.7794 13.7794 14.1800 14.1800 14.4076 14.4076 k = 0.3839 0.3839-0.0000 ( 5103 PWs) bands (ev): -46.2993 -46.2993 -22.9921 -22.9921 -22.3577 -22.3577 -22.3211 -22.3211 -6.7762 -6.7762 -6.4406 -6.4406 -6.1692 -6.1692 -5.8707 -5.8707 -5.7871 -5.7871 -3.8812 -3.8812 -3.8463 -3.8463 -3.7361 -3.7361 3.0963 3.0963 6.2347 6.2347 6.4118 6.4118 7.5841 7.5841 7.7642 7.7642 7.8212 7.8212 8.1405 8.1405 8.7223 8.7223 9.4996 9.4996 10.0805 10.0805 13.7175 13.7175 13.7547 13.7547 14.1689 14.1689 14.3814 14.3814 k = 0.3750 0.3750-0.0000 ( 5109 PWs) bands (ev): -46.2994 -46.2994 -22.9914 -22.9914 -22.3566 -22.3566 -22.3208 -22.3208 -6.7740 -6.7740 -6.4419 -6.4419 -6.1894 -6.1894 -5.8788 -5.8788 -5.7877 -5.7877 -3.8806 -3.8806 -3.8457 -3.8457 -3.7400 -3.7400 3.1166 3.1166 6.2765 6.2765 6.4306 6.4306 7.5942 7.5942 7.7388 7.7388 7.8368 7.8368 8.1574 8.1574 8.7455 8.7455 9.5480 9.5480 10.0494 10.0494 13.6876 13.6876 13.7283 13.7283 14.1565 14.1565 14.3537 14.3537 k = 0.3661 0.3661-0.0000 ( 5099 PWs) bands (ev): -46.2994 -46.2994 -22.9907 -22.9907 -22.3555 -22.3555 -22.3205 -22.3205 -6.7720 -6.7720 -6.4433 -6.4433 -6.2102 -6.2102 -5.8869 -5.8869 -5.7886 -5.7886 -3.8801 -3.8801 -3.8451 -3.8451 -3.7439 -3.7439 3.1383 3.1383 6.3209 6.3209 6.4501 6.4501 7.6025 7.6025 7.7136 7.7136 7.8568 7.8568 8.1755 8.1755 8.7691 8.7691 9.5958 9.5958 10.0172 10.0172 13.6558 13.6558 13.7002 13.7002 14.1429 14.1429 14.3248 14.3248 k = 0.3571 0.3571-0.0000 ( 5111 PWs) bands (ev): -46.2995 -46.2995 -22.9900 -22.9900 -22.3543 -22.3543 -22.3202 -22.3202 -6.7705 -6.7705 -6.4450 -6.4450 -6.2316 -6.2316 -5.8949 -5.8949 -5.7899 -5.7899 -3.8795 -3.8795 -3.8444 -3.8444 -3.7478 -3.7478 3.1615 3.1615 6.3677 6.3677 6.4702 6.4702 7.6053 7.6053 7.6940 7.6940 7.8796 7.8796 8.1947 8.1947 8.7931 8.7931 9.6424 9.6424 9.9839 9.9839 13.6225 13.6225 13.6705 13.6705 14.1283 14.1283 14.2953 14.2953 k = 0.3482 0.3482-0.0000 ( 5113 PWs) bands (ev): -46.2995 -46.2995 -22.9893 -22.9893 -22.3530 -22.3530 -22.3199 -22.3199 -6.7695 -6.7695 -6.4470 -6.4470 -6.2533 -6.2533 -5.9028 -5.9028 -5.7915 -5.7915 -3.8789 -3.8789 -3.8436 -3.8436 -3.7516 -3.7516 3.1861 3.1861 6.4169 6.4169 6.4907 6.4907 7.5966 7.5966 7.6863 7.6863 7.9051 7.9051 8.2150 8.2150 8.8174 8.8174 9.6869 9.6869 9.9498 9.9498 13.5876 13.5876 13.6393 13.6393 14.1122 14.1122 14.2661 14.2661 k = 0.3393 0.3393-0.0000 ( 5125 PWs) bands (ev): -46.2996 -46.2996 -22.9885 -22.9885 -22.3517 -22.3517 -22.3196 -22.3196 -6.7691 -6.7691 -6.4493 -6.4493 -6.2752 -6.2752 -5.9105 -5.9105 -5.7935 -5.7935 -3.8783 -3.8783 -3.8429 -3.8429 -3.7554 -3.7554 3.2121 3.2121 6.4679 6.4679 6.5117 6.5117 7.5760 7.5760 7.6913 7.6913 7.9331 7.9331 8.2363 8.2363 8.8419 8.8419 9.7287 9.7287 9.9152 9.9152 13.5512 13.5512 13.6066 13.6066 14.0939 14.0939 14.2389 14.2389 k = 0.3304 0.3304-0.0000 ( 5125 PWs) bands (ev): -46.2996 -46.2996 -22.9877 -22.9877 -22.3503 -22.3503 -22.3193 -22.3193 -6.7696 -6.7696 -6.4520 -6.4520 -6.2968 -6.2968 -5.9178 -5.9178 -5.7958 -5.7958 -3.8777 -3.8777 -3.8421 -3.8421 -3.7591 -3.7591 3.2395 3.2395 6.5194 6.5194 6.5343 6.5343 7.5489 7.5489 7.7040 7.7040 7.9634 7.9634 8.2588 8.2588 8.8668 8.8668 9.7669 9.7669 9.8801 9.8801 13.5136 13.5136 13.5724 13.5724 14.0717 14.0717 14.2162 14.2162 k = 0.3214 0.3214-0.0000 ( 5121 PWs) bands (ev): -46.2997 -46.2997 -22.9869 -22.9869 -22.3489 -22.3489 -22.3189 -22.3189 -6.7710 -6.7710 -6.4552 -6.4552 -6.3180 -6.3180 -5.9248 -5.9248 -5.7985 -5.7985 -3.8770 -3.8770 -3.8413 -3.8413 -3.7626 -3.7626 3.2684 3.2684 6.5514 6.5514 6.5779 6.5779 7.5189 7.5189 7.7208 7.7208 7.9961 7.9961 8.2823 8.2823 8.8919 8.8919 9.8010 9.8010 9.8448 9.8448 13.4747 13.4747 13.5368 13.5368 14.0439 14.0439 14.2006 14.2006 k = 0.3125 0.3125-0.0000 ( 5109 PWs) bands (ev): -46.2997 -46.2997 -22.9860 -22.9860 -22.3475 -22.3475 -22.3185 -22.3185 -6.7736 -6.7736 -6.4590 -6.4590 -6.3385 -6.3385 -5.9314 -5.9314 -5.8014 -5.8014 -3.8764 -3.8764 -3.8404 -3.8404 -3.7659 -3.7659 3.2986 3.2986 6.5727 6.5727 6.6334 6.6334 7.4878 7.4878 7.7404 7.7404 8.0312 8.0312 8.3067 8.3067 8.9172 8.9172 9.8094 9.8094 9.8303 9.8303 13.4347 13.4347 13.4999 13.4999 14.0098 14.0098 14.1938 14.1938 k = 0.3036 0.3036-0.0000 ( 5109 PWs) bands (ev): -46.2998 -46.2998 -22.9852 -22.9852 -22.3460 -22.3460 -22.3182 -22.3182 -6.7775 -6.7775 -6.4634 -6.4634 -6.3580 -6.3580 -5.9375 -5.9375 -5.8047 -5.8047 -3.8756 -3.8756 -3.8395 -3.8395 -3.7691 -3.7691 3.3304 3.3304 6.5931 6.5931 6.6904 6.6904 7.4561 7.4561 7.7621 7.7621 8.0684 8.0684 8.3321 8.3321 8.9428 8.9428 9.7742 9.7742 9.8543 9.8543 13.3938 13.3938 13.4617 13.4617 13.9698 13.9698 14.1959 14.1959 k = 0.2946 0.2946-0.0000 ( 5111 PWs) bands (ev): -46.2999 -46.2999 -22.9843 -22.9843 -22.3445 -22.3445 -22.3178 -22.3178 -6.7829 -6.7829 -6.4685 -6.4685 -6.3760 -6.3760 -5.9431 -5.9431 -5.8082 -5.8082 -3.8748 -3.8748 -3.8386 -3.8386 -3.7721 -3.7721 3.3635 3.3635 6.6129 6.6129 6.7481 6.7481 7.4244 7.4244 7.7859 7.7859 8.1079 8.1079 8.3584 8.3584 8.9686 8.9686 9.7393 9.7393 9.8725 9.8725 13.3520 13.3520 13.4224 13.4224 13.9252 13.9252 14.2067 14.2067 k = 0.2857 0.2857-0.0000 ( 5099 PWs) bands (ev): -46.2999 -46.2999 -22.9834 -22.9834 -22.3430 -22.3430 -22.3174 -22.3174 -6.7900 -6.7900 -6.4746 -6.4746 -6.3923 -6.3923 -5.9481 -5.9481 -5.8120 -5.8120 -3.8740 -3.8740 -3.8377 -3.8377 -3.7749 -3.7749 3.3980 3.3980 6.6319 6.6319 6.8059 6.8059 7.3928 7.3928 7.8117 7.8117 8.1495 8.1495 8.3856 8.3856 8.9946 8.9946 9.7049 9.7049 9.8847 9.8847 13.3095 13.3095 13.3820 13.3820 13.8769 13.8769 14.2257 14.2257 k = 0.2768 0.2768-0.0000 ( 5113 PWs) bands (ev): -46.3000 -46.3000 -22.9825 -22.9825 -22.3414 -22.3414 -22.3170 -22.3170 -6.7989 -6.7989 -6.4814 -6.4814 -6.4067 -6.4067 -5.9525 -5.9525 -5.8161 -5.8161 -3.8730 -3.8730 -3.8367 -3.8367 -3.7775 -3.7775 3.4340 3.4340 6.6502 6.6502 6.8633 6.8633 7.3616 7.3616 7.8397 7.8397 8.1932 8.1932 8.4136 8.4136 9.0208 9.0208 9.6710 9.6710 9.8907 9.8907 13.2663 13.2663 13.3406 13.3406 13.8257 13.8257 14.2527 14.2527 k = 0.2679 0.2679-0.0000 ( 5105 PWs) bands (ev): -46.3000 -46.3000 -22.9815 -22.9815 -22.3398 -22.3398 -22.3166 -22.3166 -6.8096 -6.8096 -6.4889 -6.4889 -6.4192 -6.4192 -5.9563 -5.9563 -5.8203 -5.8203 -3.8720 -3.8720 -3.8357 -3.8357 -3.7798 -3.7798 3.4714 3.4714 6.6675 6.6675 6.9198 6.9198 7.3308 7.3308 7.8700 7.8700 8.2389 8.2389 8.4424 8.4424 9.0471 9.0471 9.6380 9.6380 9.8906 9.8906 13.2226 13.2226 13.2982 13.2982 13.7722 13.7722 14.2873 14.2873 k = 0.2589 0.2589-0.0000 ( 5097 PWs) bands (ev): -46.3001 -46.3001 -22.9806 -22.9806 -22.3383 -22.3383 -22.3162 -22.3162 -6.8223 -6.8223 -6.4968 -6.4968 -6.4300 -6.4300 -5.9595 -5.9595 -5.8248 -5.8248 -3.8708 -3.8708 -3.8347 -3.8347 -3.7820 -3.7820 3.5101 3.5101 6.6838 6.6838 6.9745 6.9745 7.3007 7.3007 7.9028 7.9028 8.2865 8.2865 8.4718 8.4718 9.0736 9.0736 9.6058 9.6058 9.8846 9.8846 13.1785 13.1785 13.2551 13.2551 13.7167 13.7167 14.3293 14.3293 k = 0.2500 0.2500-0.0000 ( 5077 PWs) bands (ev): -46.3002 -46.3002 -22.9797 -22.9797 -22.3367 -22.3367 -22.3158 -22.3158 -6.8368 -6.8368 -6.5048 -6.5048 -6.4394 -6.4394 -5.9621 -5.9621 -5.8294 -5.8294 -3.8695 -3.8695 -3.8337 -3.8337 -3.7839 -3.7839 3.5503 3.5503 6.6990 6.6990 7.0266 7.0266 7.2716 7.2716 7.9382 7.9382 8.3359 8.3359 8.5019 8.5019 9.1001 9.1001 9.5746 9.5746 9.8730 9.8730 13.1341 13.1341 13.2113 13.2113 13.6595 13.6595 14.3782 14.3782 k = 0.2411 0.2411-0.0000 ( 5093 PWs) bands (ev): -46.3002 -46.3002 -22.9787 -22.9787 -22.3351 -22.3351 -22.3153 -22.3153 -6.8531 -6.8531 -6.5124 -6.5124 -6.4478 -6.4478 -5.9641 -5.9641 -5.8341 -5.8341 -3.8680 -3.8680 -3.8326 -3.8326 -3.7857 -3.7857 3.5918 3.5918 6.7129 6.7129 7.0752 7.0752 7.2438 7.2438 7.9766 7.9766 8.3871 8.3871 8.5327 8.5327 9.1267 9.1267 9.5445 9.5445 9.8565 9.8565 13.0895 13.0895 13.1668 13.1668 13.6009 13.6009 14.4335 14.4335 k = 0.2321 0.2321-0.0000 ( 5089 PWs) bands (ev): -46.3003 -46.3003 -22.9778 -22.9778 -22.3335 -22.3335 -22.3149 -22.3149 -6.8708 -6.8708 -6.5196 -6.5196 -6.4555 -6.4555 -5.9654 -5.9654 -5.8390 -5.8390 -3.8664 -3.8664 -3.8316 -3.8316 -3.7873 -3.7873 3.6346 3.6346 6.7255 6.7255 7.1180 7.1180 7.2188 7.2188 8.0181 8.0181 8.4398 8.4398 8.5639 8.5639 9.1534 9.1534 9.5156 9.5156 9.8355 9.8355 13.0449 13.0449 13.1219 13.1219 13.5411 13.5411 14.4943 14.4943 k = 0.2232 0.2232-0.0000 ( 5093 PWs) bands (ev): -46.3004 -46.3004 -22.9769 -22.9769 -22.3319 -22.3319 -22.3145 -22.3145 -6.8899 -6.8899 -6.5261 -6.5261 -6.4628 -6.4628 -5.9662 -5.9662 -5.8439 -5.8439 -3.8647 -3.8647 -3.8305 -3.8305 -3.7887 -3.7887 3.6788 3.6788 6.7367 6.7367 7.1471 7.1471 7.2038 7.2038 8.0629 8.0629 8.4939 8.4939 8.5955 8.5955 9.1800 9.1800 9.4881 9.4881 9.8110 9.8110 13.0003 13.0003 13.0766 13.0766 13.4803 13.4803 14.5593 14.5593 k = 0.2143 0.2143-0.0000 ( 5093 PWs) bands (ev): -46.3004 -46.3004 -22.9760 -22.9760 -22.3303 -22.3303 -22.3141 -22.3141 -6.9099 -6.9099 -6.5319 -6.5319 -6.4698 -6.4698 -5.9664 -5.9664 -5.8489 -5.8489 -3.8628 -3.8628 -3.8294 -3.8294 -3.7899 -3.7899 3.7242 3.7242 6.7464 6.7464 7.1441 7.1441 7.2169 7.2169 8.1112 8.1112 8.5493 8.5493 8.6276 8.6276 9.2065 9.2065 9.4619 9.4619 9.7837 9.7837 12.9559 12.9559 13.0311 13.0311 13.4187 13.4187 14.6263 14.6263 k = 0.2054 0.2054-0.0000 ( 5093 PWs) bands (ev): -46.3005 -46.3005 -22.9751 -22.9751 -22.3288 -22.3288 -22.3137 -22.3137 -6.9308 -6.9308 -6.5371 -6.5371 -6.4766 -6.4766 -5.9661 -5.9661 -5.8539 -5.8539 -3.8608 -3.8608 -3.8283 -3.8283 -3.7911 -3.7911 3.7708 3.7708 6.7547 6.7547 7.1241 7.1241 7.2422 7.2422 8.1628 8.1628 8.6058 8.6058 8.6599 8.6599 9.2329 9.2329 9.4371 9.4371 9.7546 9.7546 12.9118 12.9118 12.9855 12.9855 13.3564 13.3564 14.6904 14.6904 k = 0.1964 0.1964-0.0000 ( 5089 PWs) bands (ev): -46.3005 -46.3005 -22.9742 -22.9742 -22.3272 -22.3272 -22.3133 -22.3133 -6.9521 -6.9521 -6.5416 -6.5416 -6.4833 -6.4833 -5.9653 -5.9653 -5.8588 -5.8588 -3.8586 -3.8586 -3.8272 -3.8272 -3.7920 -3.7920 3.8186 3.8186 6.7615 6.7615 7.1016 7.1016 7.2651 7.2651 8.2176 8.2176 8.6630 8.6630 8.6925 8.6925 9.2590 9.2590 9.4139 9.4139 9.7245 9.7245 12.8682 12.8682 12.9399 12.9399 13.2936 13.2936 14.7394 14.7394 k = 0.1875 0.1875-0.0000 ( 5091 PWs) bands (ev): -46.3006 -46.3006 -22.9733 -22.9733 -22.3257 -22.3257 -22.3128 -22.3128 -6.9737 -6.9737 -6.5457 -6.5457 -6.4900 -6.4900 -5.9641 -5.9641 -5.8638 -5.8638 -3.8564 -3.8564 -3.8260 -3.8260 -3.7929 -3.7929 3.8675 3.8675 6.7667 6.7667 7.0791 7.0791 7.2825 7.2825 8.2754 8.2754 8.7193 8.7193 8.7267 8.7267 9.2848 9.2848 9.3924 9.3924 9.6945 9.6945 12.8250 12.8250 12.8945 12.8945 13.2304 13.2304 14.7574 14.7574 k = 0.1786 0.1786-0.0000 ( 5103 PWs) bands (ev): -46.3007 -46.3007 -22.9725 -22.9725 -22.3243 -22.3243 -22.3124 -22.3124 -6.9954 -6.9954 -6.5493 -6.5493 -6.4966 -6.4966 -5.9625 -5.9625 -5.8687 -5.8687 -3.8540 -3.8540 -3.8248 -3.8248 -3.7937 -3.7937 3.9173 3.9173 6.7704 6.7704 7.0575 7.0575 7.2936 7.2936 8.3358 8.3358 8.7566 8.7566 8.7803 8.7803 9.3097 9.3097 9.3729 9.3729 9.6653 9.6653 12.7826 12.7826 12.8494 12.8494 13.1671 13.1671 14.7498 14.7498 k = 0.1696 0.1696-0.0000 ( 5107 PWs) bands (ev): -46.3007 -46.3007 -22.9717 -22.9717 -22.3228 -22.3228 -22.3121 -22.3121 -7.0170 -7.0170 -6.5526 -6.5526 -6.5031 -6.5031 -5.9606 -5.9606 -5.8734 -5.8734 -3.8516 -3.8516 -3.8236 -3.8236 -3.7943 -3.7943 3.9681 3.9681 6.7726 6.7726 7.0370 7.0370 7.2983 7.2983 8.3982 8.3982 8.7892 8.7892 8.8385 8.8385 9.3313 9.3313 9.3579 9.3579 9.6378 9.6378 12.7409 12.7409 12.8048 12.8048 13.1038 13.1038 14.7309 14.7309 k = 0.1607 0.1607-0.0000 ( 5105 PWs) bands (ev): -46.3008 -46.3008 -22.9709 -22.9709 -22.3214 -22.3214 -22.3117 -22.3117 -7.0382 -7.0382 -6.5555 -6.5555 -6.5095 -6.5095 -5.9584 -5.9584 -5.8781 -5.8781 -3.8491 -3.8491 -3.8223 -3.8223 -3.7949 -3.7949 4.0197 4.0197 6.7733 6.7733 7.0178 7.0178 7.2965 7.2965 8.4622 8.4622 8.8213 8.8213 8.8965 8.8965 9.3314 9.3314 9.3656 9.3656 9.6129 9.6129 12.7002 12.7002 12.7608 12.7608 13.0408 13.0408 14.7075 14.7075 k = 0.1518 0.1518-0.0000 ( 5109 PWs) bands (ev): -46.3008 -46.3008 -22.9701 -22.9701 -22.3201 -22.3201 -22.3113 -22.3113 -7.0590 -7.0590 -6.5582 -6.5582 -6.5159 -6.5159 -5.9560 -5.9560 -5.8826 -5.8826 -3.8467 -3.8467 -3.8209 -3.8209 -3.7954 -3.7954 4.0718 4.0718 6.7725 6.7725 6.9999 6.9999 7.2884 7.2884 8.5269 8.5269 8.8530 8.8530 8.9538 8.9538 9.3184 9.3184 9.3874 9.3874 9.5912 9.5912 12.6605 12.6605 12.7177 12.7177 12.9782 12.9782 14.6822 14.6822 k = 0.1429 0.1429-0.0000 ( 5109 PWs) bands (ev): -46.3009 -46.3009 -22.9694 -22.9694 -22.3188 -22.3188 -22.3110 -22.3110 -7.0792 -7.0792 -6.5606 -6.5606 -6.5221 -6.5221 -5.9535 -5.9535 -5.8870 -5.8870 -3.8443 -3.8443 -3.8195 -3.8195 -3.7958 -3.7958 4.1245 4.1245 6.7702 6.7702 6.9834 6.9834 7.2743 7.2743 8.5919 8.5919 8.8841 8.8841 9.0097 9.0097 9.3060 9.3060 9.4100 9.4100 9.5733 9.5733 12.6220 12.6220 12.6756 12.6756 12.9162 12.9162 14.6560 14.6560 k = 0.1339 0.1339-0.0000 ( 5105 PWs) bands (ev): -46.3009 -46.3009 -22.9687 -22.9687 -22.3176 -22.3176 -22.3106 -22.3106 -7.0986 -7.0986 -6.5629 -6.5629 -6.5282 -6.5282 -5.9508 -5.9508 -5.8912 -5.8912 -3.8420 -3.8420 -3.8180 -3.8180 -3.7962 -3.7962 4.1774 4.1774 6.7666 6.7666 6.9684 6.9684 7.2547 7.2547 8.6564 8.6564 8.9145 8.9145 9.0631 9.0631 9.2960 9.2960 9.4316 9.4316 9.5599 9.5599 12.5848 12.5848 12.6346 12.6346 12.8552 12.8552 14.6296 14.6296 k = 0.1250 0.1250-0.0000 ( 5101 PWs) bands (ev): -46.3010 -46.3010 -22.9680 -22.9680 -22.3164 -22.3164 -22.3103 -22.3103 -7.1173 -7.1173 -6.5649 -6.5649 -6.5340 -6.5340 -5.9481 -5.9481 -5.8952 -5.8952 -3.8398 -3.8398 -3.8164 -3.8164 -3.7965 -3.7965 4.2303 4.2303 6.7617 6.7617 6.9548 6.9548 7.2303 7.2303 8.7196 8.7196 8.9440 8.9440 9.1123 9.1123 9.2899 9.2899 9.4519 9.4519 9.5516 9.5516 12.5490 12.5490 12.5950 12.5950 12.7953 12.7953 14.6034 14.6034 k = 0.1161 0.1161-0.0000 ( 5097 PWs) bands (ev): -46.3010 -46.3010 -22.9674 -22.9674 -22.3153 -22.3153 -22.3100 -22.3100 -7.1350 -7.1350 -6.5668 -6.5668 -6.5397 -6.5397 -5.9454 -5.9454 -5.8990 -5.8990 -3.8378 -3.8378 -3.8147 -3.8147 -3.7967 -3.7967 4.2830 4.2830 6.7556 6.7556 6.9427 6.9427 7.2017 7.2017 8.7809 8.7809 8.9726 8.9726 9.1539 9.1539 9.2906 9.2906 9.4703 9.4703 9.5489 9.5489 12.5148 12.5148 12.5570 12.5570 12.7369 12.7369 14.5777 14.5777 k = 0.1071 0.1071-0.0000 ( 5097 PWs) bands (ev): -46.3011 -46.3011 -22.9668 -22.9668 -22.3142 -22.3142 -22.3097 -22.3097 -7.1517 -7.1517 -6.5686 -6.5686 -6.5450 -6.5450 -5.9427 -5.9427 -5.9026 -5.9026 -3.8359 -3.8359 -3.8130 -3.8130 -3.7969 -3.7969 4.3351 4.3351 6.7485 6.7485 6.9318 6.9318 7.1698 7.1698 8.8395 8.8395 8.9999 8.9999 9.1826 9.1826 9.3028 9.3028 9.4866 9.4866 9.5520 9.5520 12.4823 12.4823 12.5208 12.5208 12.6803 12.6803 14.5528 14.5528 k = 0.0982 0.0982-0.0000 ( 5087 PWs) bands (ev): -46.3011 -46.3011 -22.9662 -22.9662 -22.3133 -22.3133 -22.3094 -22.3094 -7.1673 -7.1673 -6.5702 -6.5702 -6.5501 -6.5501 -5.9401 -5.9401 -5.9059 -5.9059 -3.8343 -3.8343 -3.8111 -3.8111 -3.7971 -3.7971 4.3863 4.3863 6.7404 6.7404 6.9223 6.9223 7.1355 7.1355 8.8946 8.8946 9.0260 9.0260 9.1962 9.1962 9.3282 9.3282 9.5015 9.5015 9.5604 9.5604 12.4517 12.4517 12.4865 12.4865 12.6259 12.6259 14.5288 14.5288 k = 0.0893 0.0893-0.0000 ( 5087 PWs) bands (ev): -46.3011 -46.3011 -22.9657 -22.9657 -22.3124 -22.3124 -22.3092 -22.3092 -7.1817 -7.1817 -6.5717 -6.5717 -6.5549 -6.5549 -5.9376 -5.9376 -5.9090 -5.9090 -3.8328 -3.8328 -3.8093 -3.8093 -3.7973 -3.7973 4.4361 4.4361 6.7315 6.7315 6.9139 6.9139 7.0999 7.0999 8.9457 8.9457 9.0505 9.0505 9.1997 9.1997 9.3611 9.3611 9.5164 9.5164 9.5723 9.5723 12.4230 12.4230 12.4544 12.4544 12.5741 12.5741 14.5061 14.5061 k = 0.0804 0.0804-0.0000 ( 5083 PWs) bands (ev): -46.3012 -46.3012 -22.9652 -22.9652 -22.3115 -22.3115 -22.3089 -22.3089 -7.1949 -7.1949 -6.5731 -6.5731 -6.5592 -6.5592 -5.9352 -5.9352 -5.9118 -5.9118 -3.8316 -3.8316 -3.8075 -3.8075 -3.7974 -3.7974 4.4841 4.4841 6.7219 6.7219 6.9065 6.9065 7.0639 7.0639 8.9920 8.9920 9.0734 9.0734 9.1986 9.1986 9.3951 9.3951 9.5330 9.5330 9.5861 9.5861 12.3964 12.3964 12.4246 12.4246 12.5253 12.5253 14.4848 14.4848 k = 0.0714 0.0714-0.0000 ( 5087 PWs) bands (ev): -46.3012 -46.3012 -22.9648 -22.9648 -22.3108 -22.3108 -22.3087 -22.3087 -7.2069 -7.2069 -6.5743 -6.5743 -6.5632 -6.5632 -5.9330 -5.9330 -5.9143 -5.9143 -3.8305 -3.8305 -3.8057 -3.8057 -3.7975 -3.7975 4.5296 4.5296 6.7118 6.7118 6.9001 6.9001 7.0288 7.0288 9.0332 9.0332 9.0944 9.0944 9.1959 9.1959 9.4270 9.4270 9.5518 9.5518 9.6004 9.6004 12.3720 12.3720 12.3973 12.3973 12.4801 12.4801 14.4651 14.4652 k = 0.0625 0.0625-0.0000 ( 5091 PWs) bands (ev): -46.3012 -46.3012 -22.9644 -22.9644 -22.3101 -22.3101 -22.3085 -22.3085 -7.2176 -7.2176 -6.5754 -6.5754 -6.5668 -6.5668 -5.9310 -5.9310 -5.9166 -5.9166 -3.8296 -3.8296 -3.8040 -3.8040 -3.7976 -3.7976 4.5722 4.5722 6.7011 6.7011 6.8947 6.8947 6.9955 6.9955 9.0689 9.0689 9.1134 9.1134 9.1927 9.1927 9.4553 9.4553 9.5726 9.5726 9.6145 9.6145 12.3499 12.3499 12.3724 12.3724 12.4390 12.4390 14.4473 14.4473 k = 0.0536 0.0536-0.0000 ( 5087 PWs) bands (ev): -46.3012 -46.3012 -22.9641 -22.9641 -22.3095 -22.3095 -22.3084 -22.3084 -7.2269 -7.2269 -6.5763 -6.5763 -6.5700 -6.5700 -5.9292 -5.9292 -5.9186 -5.9186 -3.8288 -3.8288 -3.8025 -3.8025 -3.7976 -3.7976 4.6111 4.6111 6.6903 6.6903 6.8900 6.8900 6.9652 6.9652 9.0991 9.0991 9.1303 9.1303 9.1897 9.1897 9.4798 9.4798 9.5943 9.5943 9.6279 9.6279 12.3304 12.3304 12.3500 12.3500 12.4027 12.4027 14.4314 14.4314 k = 0.0446 0.0446-0.0000 ( 5087 PWs) bands (ev): -46.3013 -46.3013 -22.9638 -22.9638 -22.3090 -22.3090 -22.3082 -22.3082 -7.2349 -7.2349 -6.5771 -6.5771 -6.5727 -6.5727 -5.9277 -5.9277 -5.9202 -5.9202 -3.8282 -3.8282 -3.8011 -3.8011 -3.7977 -3.7977 4.6457 4.6457 6.6794 6.6794 6.8861 6.8861 6.9388 6.9388 9.1237 9.1237 9.1449 9.1449 9.1872 9.1872 9.5006 9.5006 9.6153 9.6153 9.6401 9.6401 12.3135 12.3135 12.3300 12.3300 12.3720 12.3720 14.4177 14.4178 k = 0.0357 0.0357-0.0000 ( 5095 PWs) bands (ev): -46.3013 -46.3013 -22.9636 -22.9636 -22.3086 -22.3086 -22.3081 -22.3081 -7.2414 -7.2414 -6.5778 -6.5778 -6.5749 -6.5749 -5.9264 -5.9264 -5.9216 -5.9216 -3.8277 -3.8277 -3.8000 -3.8000 -3.7977 -3.7977 4.6752 4.6752 6.6692 6.6692 6.8830 6.8830 6.9167 6.9167 9.1429 9.1429 9.1569 9.1569 9.1855 9.1855 9.5176 9.5176 9.6343 9.6343 9.6508 9.6508 12.2993 12.2993 12.3120 12.3120 12.3476 12.3476 14.4063 14.4063 k = 0.0268 0.0268-0.0000 ( 5093 PWs) bands (ev): -46.3013 -46.3013 -22.9634 -22.9634 -22.3083 -22.3083 -22.3080 -22.3080 -7.2465 -7.2465 -6.5783 -6.5783 -6.5767 -6.5767 -5.9254 -5.9254 -5.9227 -5.9227 -3.8273 -3.8273 -3.7990 -3.7990 -3.7978 -3.7978 4.6991 4.6991 6.6600 6.6600 6.8805 6.8805 6.8995 6.8995 9.1570 9.1570 9.1659 9.1659 9.1851 9.1851 9.5310 9.5310 9.6502 9.6502 9.6596 9.6596 12.2882 12.2882 12.2965 12.2965 12.3297 12.3297 14.3973 14.3973 k = 0.0179 0.0179-0.0000 ( 5097 PWs) bands (ev): -46.3013 -46.3013 -22.9633 -22.9633 -22.3081 -22.3081 -22.3080 -22.3080 -7.2502 -7.2502 -6.5787 -6.5787 -6.5780 -6.5780 -5.9247 -5.9247 -5.9235 -5.9235 -3.8271 -3.8271 -3.7984 -3.7984 -3.7978 -3.7978 4.7166 4.7166 6.6528 6.6528 6.8788 6.8788 6.8872 6.8872 9.1664 9.1664 9.1711 9.1711 9.1865 9.1865 9.5407 9.5407 9.6620 9.6620 9.6663 9.6663 12.2801 12.2801 12.2841 12.2841 12.3177 12.3177 14.3908 14.3909 k = 0.0089 0.0089-0.0000 ( 5097 PWs) bands (ev): -46.3013 -46.3013 -22.9632 -22.9632 -22.3080 -22.3080 -22.3079 -22.3079 -7.2524 -7.2524 -6.5789 -6.5789 -6.5787 -6.5787 -5.9242 -5.9242 -5.9239 -5.9239 -3.8269 -3.8269 -3.7979 -3.7979 -3.7978 -3.7978 4.7273 4.7273 6.6482 6.6482 6.8778 6.8778 6.8799 6.8799 9.1717 9.1717 9.1730 9.1730 9.1887 9.1887 9.5466 9.5466 9.6693 9.6693 9.6704 9.6704 12.2752 12.2752 12.2762 12.2762 12.3110 12.3110 14.3869 14.3869 k = 0.0000 0.0000 0.0000 ( 5137 PWs) bands (ev): -46.3013 -46.3013 -22.9632 -22.9632 -22.3079 -22.3079 -22.3079 -22.3079 -7.2531 -7.2531 -6.5790 -6.5790 -6.5790 -6.5790 -5.9241 -5.9241 -5.9241 -5.9241 -3.8269 -3.8269 -3.7978 -3.7978 -3.7978 -3.7978 4.7309 4.7309 6.6465 6.6465 6.8774 6.8774 6.8774 6.8774 9.1734 9.1734 9.1734 9.1734 9.1897 9.1897 9.5485 9.5485 9.6718 9.6718 9.6718 9.6718 12.2735 12.2735 12.2735 12.2735 12.3088 12.3088 14.3856 14.3856 k = 0.0000 0.0000 0.0000 ( 5137 PWs) bands (ev): -46.3013 -46.3013 -22.9632 -22.9632 -22.3079 -22.3079 -22.3079 -22.3079 -7.2531 -7.2531 -6.5790 -6.5790 -6.5790 -6.5790 -5.9241 -5.9241 -5.9241 -5.9241 -3.8269 -3.8269 -3.7978 -3.7978 -3.7978 -3.7978 4.7309 4.7309 6.6465 6.6465 6.8774 6.8774 6.8774 6.8774 9.1734 9.1734 9.1734 9.1734 9.1897 9.1897 9.5485 9.5485 9.6718 9.6718 9.6718 9.6718 12.2735 12.2735 12.2735 12.2735 12.3088 12.3088 14.3856 14.3856 k = 0.0072 0.0072 0.0072 ( 5104 PWs) bands (ev): -46.3013 -46.3013 -22.9632 -22.9632 -22.3079 -22.3079 -22.3079 -22.3079 -7.2524 -7.2524 -6.5789 -6.5789 -6.5787 -6.5787 -5.9242 -5.9242 -5.9239 -5.9239 -3.8269 -3.8269 -3.7979 -3.7979 -3.7978 -3.7978 4.7273 4.7273 6.6481 6.6481 6.8777 6.8777 6.8799 6.8799 9.1717 9.1717 9.1731 9.1731 9.1887 9.1887 9.5466 9.5466 9.6696 9.6696 9.6702 9.6702 12.2756 12.2756 12.2758 12.2758 12.3109 12.3109 14.3882 14.3882 k = 0.0145 0.0145 0.0145 ( 5095 PWs) bands (ev): -46.3013 -46.3013 -22.9633 -22.9633 -22.3080 -22.3080 -22.3080 -22.3080 -7.2502 -7.2502 -6.5787 -6.5787 -6.5779 -6.5779 -5.9247 -5.9247 -5.9234 -5.9234 -3.8271 -3.8271 -3.7983 -3.7983 -3.7978 -3.7978 4.7167 4.7167 6.6527 6.6527 6.8785 6.8785 6.8874 6.8874 9.1663 9.1663 9.1709 9.1709 9.1868 9.1868 9.5408 9.5408 9.6630 9.6630 9.6654 9.6654 12.2818 12.2818 12.2825 12.2825 12.3174 12.3174 14.3959 14.3959 k = 0.0217 0.0217 0.0217 ( 5095 PWs) bands (ev): -46.3013 -46.3013 -22.9634 -22.9634 -22.3082 -22.3082 -22.3082 -22.3082 -7.2466 -7.2466 -6.5784 -6.5784 -6.5766 -6.5766 -5.9255 -5.9255 -5.9226 -5.9226 -3.8273 -3.8273 -3.7990 -3.7990 -3.7978 -3.7978 4.6994 4.6994 6.6598 6.6598 6.8798 6.8798 6.9001 6.9001 9.1574 9.1574 9.1644 9.1644 9.1866 9.1866 9.5314 9.5314 9.6523 9.6523 9.6575 9.6575 12.2920 12.2920 12.2936 12.2936 12.3280 12.3280 14.4087 14.4088 k = 0.0290 0.0290 0.0290 ( 5101 PWs) bands (ev): -46.3013 -46.3013 -22.9636 -22.9636 -22.3084 -22.3084 -22.3084 -22.3084 -7.2415 -7.2415 -6.5780 -6.5780 -6.5748 -6.5748 -5.9266 -5.9266 -5.9214 -5.9214 -3.8277 -3.8277 -3.7999 -3.7999 -3.7978 -3.7978 4.6759 4.6759 6.6686 6.6686 6.8815 6.8815 6.9180 6.9180 9.1448 9.1448 9.1525 9.1525 9.1887 9.1887 9.5186 9.5186 9.6376 9.6376 9.6469 9.6469 12.3061 12.3061 12.3090 12.3090 12.3428 12.3428 14.4266 14.4267 k = 0.0362 0.0362 0.0362 ( 5086 PWs) bands (ev): -46.3013 -46.3013 -22.9638 -22.9638 -22.3086 -22.3086 -22.3086 -22.3086 -7.2350 -7.2350 -6.5775 -6.5775 -6.5724 -6.5724 -5.9280 -5.9280 -5.9199 -5.9199 -3.8282 -3.8282 -3.8010 -3.8010 -3.7977 -3.7977 4.6467 4.6467 6.6784 6.6784 6.8836 6.8836 6.9413 6.9413 9.1285 9.1285 9.1360 9.1360 9.1926 9.1926 9.5027 9.5027 9.6195 9.6195 9.6337 9.6337 12.3239 12.3239 12.3284 12.3284 12.3615 12.3615 14.4494 14.4496 k = 0.0435 0.0435 0.0435 ( 5092 PWs) bands (ev): -46.3012 -46.3012 -22.9641 -22.9641 -22.3090 -22.3090 -22.3089 -22.3089 -7.2272 -7.2272 -6.5769 -6.5769 -6.5696 -6.5696 -5.9297 -5.9297 -5.9181 -5.9181 -3.8288 -3.8288 -3.8024 -3.8024 -3.7976 -3.7976 4.6125 4.6125 6.6885 6.6885 6.8860 6.8860 6.9697 6.9697 9.1084 9.1084 9.1149 9.1149 9.1977 9.1977 9.4841 9.4841 9.5984 9.5984 9.6184 9.6184 12.3454 12.3454 12.3516 12.3516 12.3840 12.3840 14.4770 14.4770 k = 0.0507 0.0507 0.0507 ( 5086 PWs) bands (ev): -46.3012 -46.3012 -22.9644 -22.9644 -22.3093 -22.3093 -22.3093 -22.3093 -7.2179 -7.2179 -6.5762 -6.5762 -6.5662 -6.5662 -5.9316 -5.9316 -5.9159 -5.9159 -3.8295 -3.8295 -3.8040 -3.8040 -3.7975 -3.7975 4.5740 4.5740 6.6984 6.6984 6.8887 6.8887 7.0028 7.0028 9.0843 9.0843 9.0894 9.0894 9.2040 9.2040 9.4635 9.4635 9.5750 9.5750 9.6013 9.6013 12.3703 12.3703 12.3783 12.3783 12.4100 12.4100 14.5091 14.5096 k = 0.0580 0.0580 0.0580 ( 5092 PWs) bands (ev): -46.3012 -46.3012 -22.9648 -22.9648 -22.3098 -22.3098 -22.3097 -22.3097 -7.2073 -7.2073 -6.5754 -6.5754 -6.5624 -6.5624 -5.9338 -5.9338 -5.9134 -5.9134 -3.8304 -3.8304 -3.8058 -3.8058 -3.7972 -3.7972 4.5320 4.5320 6.7078 6.7078 6.8916 6.8916 7.0397 7.0397 9.0563 9.0563 9.0593 9.0593 9.2114 9.2114 9.4414 9.4414 9.5499 9.5499 9.5828 9.5828 12.3985 12.3985 12.4083 12.4083 12.4393 12.4393 14.5457 14.5457 k = 0.0652 0.0652 0.0652 ( 5080 PWs) bands (ev): -46.3012 -46.3012 -22.9652 -22.9652 -22.3103 -22.3103 -22.3102 -22.3102 -7.1954 -7.1954 -6.5745 -6.5745 -6.5581 -6.5581 -5.9363 -5.9363 -5.9105 -5.9105 -3.8314 -3.8314 -3.8078 -3.8078 -3.7969 -3.7969 4.4870 4.4870 6.7166 6.7166 6.8944 6.8944 7.0797 7.0797 9.0241 9.0241 9.0246 9.0246 9.2197 9.2197 9.4184 9.4184 9.5237 9.5237 9.5633 9.5633 12.4296 12.4296 12.4412 12.4412 12.4716 12.4716 14.5866 14.5866 k = 0.0725 0.0725 0.0725 ( 5092 PWs) bands (ev): -46.3011 -46.3011 -22.9657 -22.9657 -22.3108 -22.3108 -22.3107 -22.3107 -7.1822 -7.1822 -6.5736 -6.5736 -6.5533 -6.5533 -5.9390 -5.9390 -5.9073 -5.9073 -3.8325 -3.8325 -3.8099 -3.8099 -3.7964 -3.7964 4.4397 4.4397 6.7246 6.7246 6.8972 6.8972 7.1218 7.1218 8.9852 8.9852 8.9877 8.9877 9.2290 9.2290 9.3953 9.3953 9.4971 9.4971 9.5431 9.5431 12.4637 12.4637 12.4768 12.4768 12.5066 12.5066 14.6314 14.6314 k = 0.0797 0.0797 0.0797 ( 5092 PWs) bands (ev): -46.3011 -46.3011 -22.9662 -22.9662 -22.3114 -22.3114 -22.3113 -22.3113 -7.1677 -7.1677 -6.5727 -6.5727 -6.5481 -6.5481 -5.9418 -5.9418 -5.9038 -5.9038 -3.8338 -3.8338 -3.8122 -3.8122 -3.7959 -3.7959 4.3907 4.3907 6.7319 6.7319 6.8998 6.8998 7.1649 7.1649 8.9411 8.9411 8.9471 8.9471 9.2393 9.2393 9.3725 9.3725 9.4707 9.4707 9.5228 9.5228 12.5004 12.5004 12.5148 12.5148 12.5441 12.5441 14.6800 14.6800 k = 0.0870 0.0870 0.0870 ( 5092 PWs) bands (ev): -46.3011 -46.3011 -22.9668 -22.9668 -22.3120 -22.3120 -22.3119 -22.3119 -7.1520 -7.1520 -6.5718 -6.5718 -6.5424 -6.5424 -5.9449 -5.9449 -5.8998 -5.8998 -3.8351 -3.8351 -3.8146 -3.8146 -3.7952 -3.7952 4.3405 4.3405 6.7383 6.7383 6.9020 6.9020 7.2082 7.2082 8.8926 8.8926 8.9023 8.9023 9.2504 9.2504 9.3506 9.3506 9.4450 9.4450 9.5028 9.5028 12.5395 12.5395 12.5548 12.5548 12.5836 12.5836 14.7323 14.7326 k = 0.0942 0.0942 0.0942 ( 5098 PWs) bands (ev): -46.3010 -46.3010 -22.9674 -22.9674 -22.3127 -22.3127 -22.3126 -22.3126 -7.1352 -7.1352 -6.5708 -6.5708 -6.5363 -6.5363 -5.9481 -5.9481 -5.8956 -5.8956 -3.8365 -3.8365 -3.8171 -3.8171 -3.7944 -3.7944 4.2896 4.2896 6.7438 6.7438 6.9036 6.9036 7.2506 7.2506 8.8398 8.8398 8.8535 8.8535 9.2625 9.2625 9.3298 9.3298 9.4206 9.4206 9.4833 9.4833 12.5808 12.5808 12.5967 12.5967 12.6250 12.6250 14.7878 14.7894 k = 0.1014 0.1014 0.1014 ( 5116 PWs) bands (ev): -46.3010 -46.3010 -22.9680 -22.9680 -22.3135 -22.3135 -22.3133 -22.3133 -7.1172 -7.1172 -6.5699 -6.5699 -6.5298 -6.5298 -5.9514 -5.9514 -5.8910 -5.8910 -3.8380 -3.8380 -3.8197 -3.8197 -3.7935 -3.7935 4.2384 4.2384 6.7483 6.7483 6.9046 6.9046 7.2911 7.2911 8.7832 8.7832 8.8007 8.8007 9.2754 9.2754 9.3107 9.3107 9.3978 9.3978 9.4651 9.4651 12.6241 12.6241 12.6401 12.6401 12.6679 12.6679 14.8464 14.8464 k = 0.1087 0.1087 0.1087 ( 5110 PWs) bands (ev): -46.3009 -46.3009 -22.9687 -22.9687 -22.3143 -22.3143 -22.3141 -22.3141 -7.0983 -7.0983 -6.5690 -6.5690 -6.5228 -6.5228 -5.9548 -5.9548 -5.8860 -5.8860 -3.8395 -3.8395 -3.8223 -3.8223 -3.7924 -3.7924 4.1872 4.1872 6.7517 6.7517 6.9047 6.9047 7.3290 7.3290 8.7230 8.7230 8.7445 8.7445 9.2877 9.2877 9.2947 9.2947 9.3769 9.3769 9.4483 9.4483 12.6691 12.6691 12.6848 12.6848 12.7120 12.7120 14.9079 14.9079 k = 0.1159 0.1159 0.1159 ( 5116 PWs) bands (ev): -46.3009 -46.3009 -22.9694 -22.9694 -22.3151 -22.3151 -22.3149 -22.3149 -7.0783 -7.0783 -6.5682 -6.5682 -6.5155 -6.5155 -5.9582 -5.9582 -5.8807 -5.8807 -3.8410 -3.8410 -3.8249 -3.8249 -3.7912 -3.7912 4.1363 4.1363 6.7539 6.7539 6.9038 6.9038 7.3634 7.3634 8.6597 8.6597 8.6849 8.6849 9.2770 9.2770 9.3045 9.3045 9.3581 9.3581 9.4336 9.4336 12.7155 12.7155 12.7305 12.7305 12.7572 12.7572 14.9719 14.9719 k = 0.1232 0.1232 0.1232 ( 5116 PWs) bands (ev): -46.3008 -46.3008 -22.9702 -22.9702 -22.3160 -22.3160 -22.3157 -22.3157 -7.0575 -7.0575 -6.5675 -6.5675 -6.5078 -6.5078 -5.9616 -5.9616 -5.8750 -5.8750 -3.8425 -3.8425 -3.8275 -3.8275 -3.7899 -3.7899 4.0862 4.0862 6.7546 6.7546 6.9017 6.9017 7.3934 7.3934 8.5937 8.5937 8.6224 8.6224 9.2638 9.2638 9.3199 9.3199 9.3417 9.3417 9.4211 9.4211 12.7630 12.7630 12.7771 12.7771 12.8030 12.8030 15.0382 15.0382 k = 0.1304 0.1304 0.1304 ( 5119 PWs) bands (ev): -46.3008 -46.3008 -22.9709 -22.9709 -22.3169 -22.3169 -22.3166 -22.3166 -7.0359 -7.0359 -6.5668 -6.5668 -6.4997 -6.4997 -5.9650 -5.9650 -5.8690 -5.8690 -3.8439 -3.8439 -3.8301 -3.8301 -3.7884 -3.7884 4.0369 4.0369 6.7538 6.7538 6.8982 6.8982 7.4185 7.4185 8.5253 8.5253 8.5572 8.5572 9.2527 9.2527 9.3278 9.3278 9.3361 9.3361 9.4113 9.4113 12.8113 12.8113 12.8244 12.8244 12.8492 12.8492 15.1052 15.1053 k = 0.1377 0.1377 0.1377 ( 5107 PWs) bands (ev): -46.3007 -46.3007 -22.9718 -22.9718 -22.3178 -22.3178 -22.3176 -22.3176 -7.0135 -7.0135 -6.5662 -6.5662 -6.4912 -6.4912 -5.9684 -5.9684 -5.8627 -5.8627 -3.8453 -3.8453 -3.8325 -3.8325 -3.7869 -3.7869 3.9889 3.9889 6.7512 6.7512 6.8932 6.8932 7.4380 7.4380 8.4550 8.4550 8.4899 8.4899 9.2439 9.2439 9.3164 9.3164 9.3532 9.3532 9.4042 9.4042 12.8601 12.8601 12.8721 12.8721 12.8955 12.8955 15.0908 15.0908 k = 0.1449 0.1449 0.1449 ( 5107 PWs) bands (ev): -46.3006 -46.3006 -22.9726 -22.9726 -22.3188 -22.3188 -22.3185 -22.3185 -6.9905 -6.9905 -6.5658 -6.5658 -6.4824 -6.4824 -5.9716 -5.9716 -5.8560 -5.8560 -3.8465 -3.8465 -3.8349 -3.8349 -3.7852 -3.7852 3.9422 3.9422 6.7468 6.7468 6.8866 6.8866 7.4516 7.4516 8.3832 8.3832 8.4206 8.4206 9.2377 9.2377 9.3077 9.3077 9.3710 9.3710 9.4000 9.4000 12.9090 12.9090 12.9202 12.9202 12.9415 12.9415 15.0013 15.0013 k = 0.1522 0.1522 0.1522 ( 5101 PWs) bands (ev): -46.3006 -46.3006 -22.9735 -22.9735 -22.3198 -22.3198 -22.3195 -22.3195 -6.9671 -6.9671 -6.5655 -6.5655 -6.4731 -6.4731 -5.9747 -5.9747 -5.8490 -5.8490 -3.8476 -3.8476 -3.8372 -3.8372 -3.7834 -3.7834 3.8970 3.8970 6.7404 6.7404 6.8782 6.8782 7.4588 7.4588 8.3101 8.3101 8.3498 8.3498 9.2340 9.2340 9.3018 9.3018 9.3894 9.3894 9.3986 9.3986 12.9574 12.9574 12.9683 12.9683 12.9869 12.9869 14.9110 14.9111 k = 0.1594 0.1594 0.1594 ( 5101 PWs) bands (ev): -46.3005 -46.3005 -22.9744 -22.9744 -22.3209 -22.3209 -22.3206 -22.3206 -6.9432 -6.9432 -6.5653 -6.5653 -6.4634 -6.4634 -5.9775 -5.9775 -5.8418 -5.8418 -3.8485 -3.8485 -3.8392 -3.8392 -3.7814 -3.7814 3.8536 3.8536 6.7319 6.7319 6.8678 6.8678 7.4596 7.4596 8.2360 8.2360 8.2778 8.2778 9.2330 9.2330 9.2986 9.2986 9.3994 9.3994 9.4088 9.4088 13.0047 13.0047 13.0164 13.0164 13.0314 13.0314 14.8224 14.8224 k = 0.1667 0.1667 0.1667 ( 5088 PWs) bands (ev): -46.3005 -46.3005 -22.9754 -22.9754 -22.3220 -22.3220 -22.3216 -22.3216 -6.9192 -6.9192 -6.5653 -6.5653 -6.4533 -6.4533 -5.9801 -5.9801 -5.8342 -5.8342 -3.8492 -3.8492 -3.8411 -3.8411 -3.7794 -3.7794 3.8120 3.8120 6.7210 6.7210 6.8555 6.8555 7.4540 7.4540 8.1613 8.1613 8.2048 8.2048 9.2346 9.2346 9.2981 9.2981 9.4025 9.4025 9.4286 9.4286 13.0498 13.0498 13.0644 13.0644 13.0752 13.0752 14.7371 14.7371 k = 0.1739 0.1739 0.1739 ( 5100 PWs) bands (ev): -46.3004 -46.3004 -22.9763 -22.9763 -22.3231 -22.3231 -22.3227 -22.3227 -6.8950 -6.8950 -6.5654 -6.5654 -6.4427 -6.4427 -5.9824 -5.9824 -5.8263 -5.8263 -3.8497 -3.8497 -3.8428 -3.8428 -3.7772 -3.7772 3.7724 3.7724 6.7078 6.7078 6.8411 6.8411 7.4422 7.4422 8.0863 8.0863 8.1312 8.1312 9.2389 9.2389 9.3005 9.3005 9.4068 9.4068 9.4490 9.4490 13.0907 13.0907 13.1120 13.1120 13.1189 13.1189 14.6568 14.6568 k = 0.1812 0.1812 0.1812 ( 5100 PWs) bands (ev): -46.3003 -46.3003 -22.9773 -22.9773 -22.3242 -22.3242 -22.3238 -22.3238 -6.8710 -6.8710 -6.5657 -6.5657 -6.4315 -6.4315 -5.9844 -5.9844 -5.8182 -5.8182 -3.8500 -3.8500 -3.8442 -3.8442 -3.7750 -3.7750 3.7350 3.7350 6.6922 6.6922 6.8245 6.8245 7.4244 7.4244 8.0113 8.0113 8.0571 8.0571 9.2458 9.2458 9.3056 9.3056 9.4116 9.4116 9.4701 9.4701 13.1255 13.1255 13.1593 13.1593 13.1631 13.1631 14.5837 14.5837 k = 0.1884 0.1884 0.1884 ( 5103 PWs) bands (ev): -46.3003 -46.3003 -22.9783 -22.9783 -22.3253 -22.3253 -22.3250 -22.3250 -6.8472 -6.8472 -6.5662 -6.5662 -6.4197 -6.4197 -5.9860 -5.9860 -5.8099 -5.8099 -3.8499 -3.8499 -3.8454 -3.8454 -3.7726 -3.7726 3.6998 3.6998 6.6740 6.6740 6.8057 6.8057 7.4011 7.4011 7.9364 7.9364 7.9829 7.9829 9.2553 9.2553 9.3135 9.3135 9.4159 9.4159 9.4916 9.4916 13.1530 13.1530 13.2060 13.2060 13.2076 13.2076 14.5197 14.5197 k = 0.1957 0.1957 0.1957 ( 5103 PWs) bands (ev): -46.3002 -46.3002 -22.9794 -22.9794 -22.3265 -22.3265 -22.3261 -22.3261 -6.8239 -6.8239 -6.5668 -6.5668 -6.4073 -6.4073 -5.9871 -5.9871 -5.8013 -5.8013 -3.8496 -3.8496 -3.8462 -3.8462 -3.7701 -3.7701 3.6670 3.6670 6.6532 6.6532 6.7847 6.7847 7.3726 7.3726 7.8619 7.8619 7.9088 7.9088 9.2673 9.2673 9.3240 9.3240 9.4187 9.4187 9.5137 9.5137 13.1727 13.1727 13.2518 13.2518 13.2521 13.2521 14.4672 14.4672 k = 0.2029 0.2029 0.2029 ( 5103 PWs) bands (ev): -46.3001 -46.3001 -22.9804 -22.9804 -22.3277 -22.3277 -22.3273 -22.3273 -6.8012 -6.8012 -6.5677 -6.5677 -6.3940 -6.3940 -5.9877 -5.9877 -5.7926 -5.7926 -3.8489 -3.8489 -3.8468 -3.8468 -3.7675 -3.7675 3.6366 3.6366 6.6298 6.6298 6.7615 6.7615 7.3394 7.3394 7.7882 7.7882 7.8351 7.8351 9.2818 9.2818 9.3371 9.3371 9.4189 9.4189 9.5363 9.5363 13.1840 13.1840 13.2952 13.2952 13.2975 13.2975 14.4277 14.4277 k = 0.2101 0.2101 0.2101 ( 5112 PWs) bands (ev): -46.3000 -46.3000 -22.9815 -22.9815 -22.3289 -22.3289 -22.3285 -22.3285 -6.7794 -6.7794 -6.5687 -6.5687 -6.3800 -6.3800 -5.9878 -5.9878 -5.7837 -5.7837 -3.8478 -3.8478 -3.8470 -3.8470 -3.7648 -3.7648 3.6088 3.6088 6.6039 6.6039 6.7361 6.7361 7.3021 7.3021 7.7153 7.7153 7.7619 7.7619 9.2986 9.2986 9.3526 9.3526 9.4152 9.4152 9.5592 9.5592 13.1870 13.1870 13.3376 13.3376 13.3421 13.3421 14.4025 14.4025 k = 0.2174 0.2174 0.2174 ( 5109 PWs) bands (ev): -46.3000 -46.3000 -22.9825 -22.9825 -22.3301 -22.3301 -22.3297 -22.3297 -6.7587 -6.7587 -6.5699 -6.5699 -6.3649 -6.3649 -5.9874 -5.9874 -5.7746 -5.7746 -3.8469 -3.8469 -3.8465 -3.8465 -3.7620 -3.7620 3.5836 3.5836 6.5753 6.5753 6.7085 6.7085 7.2612 7.2612 7.6436 7.6436 7.6895 7.6895 9.3172 9.3172 9.3704 9.3704 9.4069 9.4069 9.5825 9.5825 13.1823 13.1823 13.3789 13.3789 13.3859 13.3859 14.3919 14.3919 k = 0.2246 0.2246 0.2246 ( 5109 PWs) bands (ev): -46.2999 -46.2999 -22.9836 -22.9836 -22.3313 -22.3313 -22.3309 -22.3309 -6.7393 -6.7393 -6.5712 -6.5712 -6.3489 -6.3489 -5.9863 -5.9863 -5.7654 -5.7654 -3.8464 -3.8464 -3.8447 -3.8447 -3.7591 -3.7591 3.5611 3.5611 6.5443 6.5443 6.6788 6.6788 7.2170 7.2170 7.5732 7.5732 7.6181 7.6181 9.3365 9.3365 9.3905 9.3905 9.3938 9.3938 9.6062 9.6062 13.1716 13.1716 13.4190 13.4190 13.4287 13.4287 14.3952 14.3952 k = 0.2319 0.2319 0.2319 ( 5115 PWs) bands (ev): -46.2998 -46.2998 -22.9847 -22.9847 -22.3325 -22.3325 -22.3322 -22.3322 -6.7213 -6.7213 -6.5727 -6.5727 -6.3318 -6.3318 -5.9845 -5.9845 -5.7561 -5.7561 -3.8455 -3.8455 -3.8425 -3.8425 -3.7561 -3.7561 3.5413 3.5413 6.5108 6.5108 6.6471 6.6471 7.1702 7.1702 7.5043 7.5043 7.5478 7.5478 9.3484 9.3484 9.3829 9.3829 9.4126 9.4126 9.6301 9.6301 13.1571 13.1571 13.4579 13.4579 13.4706 13.4706 14.4110 14.4110 k = 0.2391 0.2391 0.2391 ( 5115 PWs) bands (ev): -46.2997 -46.2997 -22.9858 -22.9858 -22.3338 -22.3338 -22.3334 -22.3334 -6.7048 -6.7048 -6.5744 -6.5744 -6.3137 -6.3137 -5.9821 -5.9821 -5.7468 -5.7468 -3.8443 -3.8443 -3.8400 -3.8400 -3.7530 -3.7530 3.5244 3.5244 6.4749 6.4749 6.6133 6.6133 7.1210 7.1210 7.4370 7.4370 7.4790 7.4790 9.3296 9.3296 9.3964 9.3964 9.4365 9.4365 9.6543 9.6543 13.1412 13.1412 13.4955 13.4955 13.5115 13.5115 14.4376 14.4376 k = 0.2464 0.2464 0.2464 ( 5100 PWs) bands (ev): -46.2997 -46.2997 -22.9868 -22.9868 -22.3350 -22.3350 -22.3346 -22.3346 -6.6900 -6.6900 -6.5763 -6.5763 -6.2946 -6.2946 -5.9789 -5.9789 -5.7374 -5.7374 -3.8427 -3.8427 -3.8370 -3.8370 -3.7498 -3.7498 3.5105 3.5105 6.4368 6.4368 6.5776 6.5776 7.0699 7.0699 7.3715 7.3715 7.4116 7.4116 9.2923 9.2923 9.4213 9.4213 9.4622 9.4622 9.6787 9.6787 13.1263 13.1263 13.5318 13.5318 13.5514 13.5514 14.4730 14.4730 k = 0.2536 0.2536 0.2536 ( 5100 PWs) bands (ev): -46.2996 -46.2996 -22.9879 -22.9879 -22.3362 -22.3362 -22.3359 -22.3359 -6.6768 -6.6768 -6.5782 -6.5782 -6.2747 -6.2747 -5.9748 -5.9748 -5.7280 -5.7280 -3.8407 -3.8407 -3.8337 -3.8337 -3.7465 -3.7465 3.4994 3.4994 6.3966 6.3966 6.5402 6.5402 7.0173 7.0173 7.3080 7.3080 7.3460 7.3460 9.2442 9.2442 9.4493 9.4493 9.4894 9.4894 9.7032 9.7032 13.1145 13.1145 13.5669 13.5669 13.5902 13.5902 14.5157 14.5157 k = 0.2609 0.2609 0.2609 ( 5100 PWs) bands (ev): -46.2995 -46.2995 -22.9890 -22.9890 -22.3375 -22.3375 -22.3371 -22.3371 -6.6653 -6.6653 -6.5804 -6.5804 -6.2539 -6.2539 -5.9699 -5.9699 -5.7187 -5.7187 -3.8383 -3.8383 -3.8299 -3.8299 -3.7430 -3.7430 3.4914 3.4914 6.3544 6.3544 6.5010 6.5010 6.9635 6.9635 7.2465 7.2465 7.2821 7.2821 9.1861 9.1861 9.4791 9.4791 9.5179 9.5179 9.7279 9.7279 13.1072 13.1072 13.6007 13.6007 13.6280 13.6280 14.5641 14.5641 k = 0.2681 0.2681 0.2681 ( 5094 PWs) bands (ev): -46.2994 -46.2994 -22.9901 -22.9901 -22.3387 -22.3387 -22.3383 -22.3383 -6.6554 -6.6554 -6.5826 -6.5826 -6.2327 -6.2327 -5.9641 -5.9641 -5.7093 -5.7093 -3.8356 -3.8356 -3.8258 -3.8258 -3.7395 -3.7395 3.4865 3.4865 6.3104 6.3104 6.4602 6.4602 6.9088 6.9088 7.1870 7.1870 7.2203 7.2203 9.1182 9.1182 9.5102 9.5102 9.5476 9.5476 9.7525 9.7525 13.1054 13.1054 13.6333 13.6333 13.6647 13.6647 14.6169 14.6169 k = 0.2754 0.2754 0.2754 ( 5094 PWs) bands (ev): -46.2993 -46.2993 -22.9912 -22.9912 -22.3399 -22.3399 -22.3396 -22.3396 -6.6470 -6.6470 -6.5849 -6.5849 -6.2112 -6.2112 -5.9572 -5.9572 -5.7001 -5.7001 -3.8324 -3.8324 -3.8214 -3.8214 -3.7359 -3.7359 3.4847 3.4847 6.2649 6.2649 6.4180 6.4180 6.8535 6.8535 7.1297 7.1297 7.1605 7.1605 9.0410 9.0410 9.5425 9.5425 9.5783 9.5783 9.7772 9.7772 13.1099 13.1099 13.6647 13.6647 13.7003 13.7003 14.6731 14.6731 k = 0.2826 0.2826 0.2826 ( 5094 PWs) bands (ev): -46.2993 -46.2993 -22.9922 -22.9922 -22.3411 -22.3411 -22.3408 -22.3408 -6.6400 -6.6400 -6.5874 -6.5874 -6.1897 -6.1897 -5.9491 -5.9491 -5.6909 -5.6909 -3.8289 -3.8289 -3.8165 -3.8165 -3.7321 -3.7321 3.4861 3.4861 6.2180 6.2180 6.3745 6.3745 6.7978 6.7978 7.0746 7.0746 7.1028 7.1028 8.9548 8.9548 9.5755 9.5755 9.6098 9.6098 9.8018 9.8018 13.1207 13.1207 13.6950 13.6950 13.7349 13.7349 14.7319 14.7319 k = 0.2899 0.2899 0.2899 ( 5094 PWs) bands (ev): -46.2992 -46.2992 -22.9933 -22.9933 -22.3423 -22.3423 -22.3420 -22.3420 -6.6343 -6.6343 -6.5899 -6.5899 -6.1685 -6.1685 -5.9398 -5.9398 -5.6819 -5.6819 -3.8251 -3.8251 -3.8114 -3.8114 -3.7282 -3.7282 3.4906 3.4906 6.1700 6.1700 6.3300 6.3300 6.7420 6.7420 7.0216 7.0216 7.0473 7.0473 8.8603 8.8603 9.6092 9.6092 9.6419 9.6419 9.8263 9.8263 13.1379 13.1379 13.7244 13.7244 13.7684 13.7684 14.7926 14.7926 k = 0.2971 0.2971 0.2971 ( 5094 PWs) bands (ev): -46.2991 -46.2991 -22.9943 -22.9943 -22.3435 -22.3435 -22.3432 -22.3432 -6.6298 -6.6298 -6.5926 -6.5926 -6.1480 -6.1480 -5.9291 -5.9291 -5.6730 -5.6730 -3.8209 -3.8209 -3.8060 -3.8060 -3.7242 -3.7242 3.4985 3.4985 6.1211 6.1211 6.2845 6.2845 6.6864 6.6864 6.9708 6.9708 6.9940 6.9940 8.7581 8.7581 9.6433 9.6433 9.6744 9.6744 9.8507 9.8507 13.1610 13.1610 13.7528 13.7528 13.8008 13.8008 14.8547 14.8547 k = 0.3043 0.3043 0.3043 ( 5094 PWs) bands (ev): -46.2990 -46.2990 -22.9954 -22.9954 -22.3446 -22.3446 -22.3443 -22.3443 -6.6263 -6.6263 -6.5952 -6.5952 -6.1284 -6.1284 -5.9170 -5.9170 -5.6642 -5.6642 -3.8164 -3.8164 -3.8003 -3.8003 -3.7201 -3.7201 3.5096 3.5096 6.0716 6.0716 6.2383 6.2383 6.6311 6.6311 6.9221 6.9221 6.9430 6.9430 8.6491 8.6491 9.6777 9.6777 9.7072 9.7072 9.8748 9.8748 13.1895 13.1895 13.7803 13.7803 13.8323 13.8323 14.9177 14.9177 k = 0.3116 0.3116 0.3116 ( 5085 PWs) bands (ev): -46.2990 -46.2990 -22.9964 -22.9964 -22.3458 -22.3458 -22.3455 -22.3455 -6.6238 -6.6238 -6.5980 -6.5980 -6.1100 -6.1100 -5.9033 -5.9033 -5.6557 -5.6557 -3.8116 -3.8116 -3.7944 -3.7944 -3.7158 -3.7158 3.5241 3.5241 6.0217 6.0217 6.1916 6.1916 6.5763 6.5763 6.8755 6.8755 6.8941 6.8941 8.5340 8.5340 9.7122 9.7122 9.7402 9.7402 9.8987 9.8987 13.2228 13.2228 13.8070 13.8070 13.8627 13.8627 14.9812 14.9812 k = 0.3188 0.3188 0.3188 ( 5067 PWs) bands (ev): -46.2989 -46.2989 -22.9974 -22.9974 -22.3469 -22.3469 -22.3466 -22.3466 -6.6220 -6.6220 -6.6007 -6.6007 -6.0930 -6.0930 -5.8882 -5.8882 -5.6474 -5.6474 -3.8065 -3.8065 -3.7884 -3.7884 -3.7114 -3.7114 3.5420 3.5420 5.9717 5.9717 6.1447 6.1447 6.5221 6.5221 6.8310 6.8310 6.8475 6.8475 8.4135 8.4135 9.7466 9.7466 9.7731 9.7731 9.9223 9.9223 13.2603 13.2603 13.8330 13.8330 13.8921 13.8921 15.0449 15.0449 k = 0.3261 0.3261 0.3261 ( 5067 PWs) bands (ev): -46.2988 -46.2988 -22.9983 -22.9983 -22.3480 -22.3480 -22.3477 -22.3477 -6.6210 -6.6210 -6.6035 -6.6035 -6.0775 -6.0775 -5.8715 -5.8715 -5.6392 -5.6392 -3.8012 -3.8012 -3.7822 -3.7822 -3.7068 -3.7068 3.5632 3.5632 5.9218 5.9218 6.0977 6.0977 6.4689 6.4689 6.7884 6.7884 6.8030 6.8030 8.2885 8.2885 9.7808 9.7808 9.8059 9.8059 9.9454 9.9454 13.3011 13.3011 13.8584 13.8584 13.9205 13.9205 15.1086 15.1086 k = 0.3333 0.3333 0.3333 ( 5082 PWs) bands (ev): -46.2988 -46.2988 -22.9993 -22.9993 -22.3490 -22.3490 -22.3488 -22.3488 -6.6205 -6.6205 -6.6063 -6.6063 -6.0634 -6.0634 -5.8536 -5.8536 -5.6314 -5.6314 -3.7957 -3.7957 -3.7760 -3.7760 -3.7021 -3.7021 3.5879 3.5879 5.8723 5.8723 6.0509 6.0509 6.4166 6.4166 6.7478 6.7478 6.7606 6.7606 8.1598 8.1598 9.8145 9.8145 9.8383 9.8383 9.9682 9.9682 13.3446 13.3446 13.8833 13.8833 13.9479 13.9479 15.1718 15.1718 k = 0.3406 0.3406 0.3406 ( 5070 PWs) bands (ev): -46.2987 -46.2987 -23.0002 -23.0002 -22.3501 -22.3501 -22.3499 -22.3499 -6.6205 -6.6205 -6.6091 -6.6091 -6.0508 -6.0508 -5.8346 -5.8346 -5.6238 -5.6238 -3.7900 -3.7900 -3.7699 -3.7699 -3.6971 -3.6971 3.6160 3.6160 5.8234 5.8234 6.0046 6.0046 6.3656 6.3656 6.7091 6.7091 6.7203 6.7203 8.0279 8.0279 9.8477 9.8477 9.8703 9.8703 9.9905 9.9905 13.3900 13.3900 13.9076 13.9076 13.9744 13.9744 15.2345 15.2345 k = 0.3478 0.3478 0.3478 ( 5079 PWs) bands (ev): -46.2986 -46.2986 -23.0011 -23.0011 -22.3511 -22.3511 -22.3509 -22.3509 -6.6210 -6.6210 -6.6119 -6.6119 -6.0396 -6.0396 -5.8149 -5.8149 -5.6164 -5.6164 -3.7842 -3.7842 -3.7638 -3.7638 -3.6920 -3.6920 3.6477 3.6477 5.7753 5.7753 5.9589 5.9589 6.3158 6.3158 6.6722 6.6722 6.6820 6.6820 7.8935 7.8935 9.8802 9.8802 9.9016 9.9016 10.0122 10.0122 13.4366 13.4366 13.9316 13.9316 13.9999 13.9999 15.2963 15.2963 k = 0.3551 0.3551 0.3551 ( 5079 PWs) bands (ev): -46.2986 -46.2986 -23.0020 -23.0020 -22.3521 -22.3521 -22.3519 -22.3519 -6.6219 -6.6219 -6.6146 -6.6146 -6.0294 -6.0294 -5.7946 -5.7946 -5.6094 -5.6094 -3.7783 -3.7783 -3.7578 -3.7578 -3.6867 -3.6867 3.6828 3.6828 5.7282 5.7282 5.9140 5.9140 6.2675 6.2675 6.6372 6.6372 6.6457 6.6457 7.7572 7.7572 9.9120 9.9120 9.9323 9.9323 10.0333 10.0333 13.4838 13.4838 13.9551 13.9551 14.0244 14.0244 15.3570 15.3570 k = 0.3623 0.3623 0.3623 ( 5082 PWs) bands (ev): -46.2985 -46.2985 -23.0028 -23.0028 -22.3530 -22.3530 -22.3528 -22.3528 -6.6230 -6.6230 -6.6173 -6.6173 -6.0203 -6.0203 -5.7741 -5.7741 -5.6026 -5.6026 -3.7723 -3.7723 -3.7520 -3.7520 -3.6812 -3.6812 3.7214 3.7214 5.6824 5.6824 5.8702 5.8702 6.2207 6.2207 6.6039 6.6039 6.6113 6.6113 7.6196 7.6196 9.9428 9.9428 9.9621 9.9621 10.0538 10.0538 13.5311 13.5311 13.9784 13.9784 14.0480 14.0480 15.4165 15.4165 k = 0.3696 0.3696 0.3696 ( 5079 PWs) bands (ev): -46.2985 -46.2985 -23.0036 -23.0036 -22.3539 -22.3539 -22.3538 -22.3538 -6.6243 -6.6243 -6.6200 -6.6200 -6.0121 -6.0121 -5.7535 -5.7535 -5.5962 -5.5962 -3.7663 -3.7663 -3.7464 -3.7464 -3.6756 -3.6756 3.7636 3.7636 5.6379 5.6379 5.8276 5.8276 6.1756 6.1756 6.5724 6.5724 6.5787 6.5787 7.4812 7.4812 9.9725 9.9725 9.9911 9.9911 10.0737 10.0737 13.5777 13.5777 14.0014 14.0014 14.0706 14.0706 15.4745 15.4745 k = 0.3768 0.3768 0.3768 ( 5073 PWs) bands (ev): -46.2984 -46.2984 -23.0044 -23.0044 -22.3548 -22.3548 -22.3546 -22.3546 -6.6258 -6.6258 -6.6225 -6.6225 -6.0047 -6.0047 -5.7332 -5.7332 -5.5900 -5.5900 -3.7604 -3.7604 -3.7411 -3.7411 -3.6698 -3.6698 3.8093 3.8093 5.5949 5.5949 5.7864 5.7864 6.1323 6.1323 6.5426 6.5426 6.5481 6.5481 7.3423 7.3423 10.0012 10.0012 10.0189 10.0189 10.0927 10.0927 13.6232 13.6232 14.0241 14.0241 14.0922 14.0922 15.5308 15.5308 k = 0.3841 0.3841 0.3841 ( 5073 PWs) bands (ev): -46.2984 -46.2984 -23.0051 -23.0051 -22.3556 -22.3556 -22.3555 -22.3555 -6.6275 -6.6275 -6.6250 -6.6250 -5.9979 -5.9979 -5.7134 -5.7134 -5.5842 -5.5842 -3.7544 -3.7544 -3.7361 -3.7361 -3.6639 -3.6639 3.8585 3.8585 5.5536 5.5536 5.7468 5.7468 6.0910 6.0910 6.5146 6.5146 6.5192 6.5192 7.2035 7.2035 10.0286 10.0286 10.0457 10.0457 10.1110 10.1110 13.6672 13.6672 14.0466 14.0466 14.1128 14.1128 15.5852 15.5852 k = 0.3913 0.3913 0.3913 ( 5073 PWs) bands (ev): -46.2983 -46.2983 -23.0058 -23.0058 -22.3564 -22.3564 -22.3563 -22.3563 -6.6292 -6.6292 -6.6274 -6.6274 -5.9918 -5.9918 -5.6941 -5.6941 -5.5788 -5.5788 -3.7486 -3.7486 -3.7314 -3.7314 -3.6580 -3.6580 3.9112 3.9112 5.5142 5.5142 5.7089 5.7089 6.0516 6.0516 6.4882 6.4882 6.4922 6.4922 7.0650 7.0650 10.0547 10.0547 10.0712 10.0712 10.1285 10.1285 13.7091 13.7091 14.0688 14.0688 14.1323 14.1323 15.6375 15.6375 k = 0.3986 0.3986 0.3986 ( 5073 PWs) bands (ev): -46.2983 -46.2983 -23.0065 -23.0065 -22.3571 -22.3571 -22.3570 -22.3570 -6.6310 -6.6310 -6.6297 -6.6297 -5.9862 -5.9862 -5.6755 -5.6755 -5.5736 -5.5736 -3.7430 -3.7430 -3.7270 -3.7270 -3.6521 -3.6521 3.9675 3.9675 5.4767 5.4767 5.6728 5.6728 6.0143 6.0143 6.4636 6.4636 6.4669 6.4669 6.9273 6.9273 10.0793 10.0793 10.0955 10.0955 10.1452 10.1452 13.7488 13.7488 14.0907 14.0907 14.1509 14.1509 15.6876 15.6876 k = 0.4058 0.4058 0.4058 ( 5067 PWs) bands (ev): -46.2982 -46.2982 -23.0071 -23.0071 -22.3578 -22.3578 -22.3577 -22.3577 -6.6328 -6.6328 -6.6319 -6.6319 -5.9811 -5.9811 -5.6578 -5.6578 -5.5688 -5.5688 -3.7375 -3.7375 -3.7230 -3.7230 -3.6462 -3.6462 4.0273 4.0273 5.4412 5.4412 5.6387 5.6387 5.9792 5.9792 6.4406 6.4406 6.4434 6.4434 6.7907 6.7907 10.1026 10.1026 10.1183 10.1183 10.1609 10.1609 13.7859 13.7859 14.1123 14.1123 14.1683 14.1683 15.7351 15.7351 k = 0.4130 0.4130 0.4130 ( 5073 PWs) bands (ev): -46.2982 -46.2982 -23.0077 -23.0077 -22.3585 -22.3585 -22.3584 -22.3584 -6.6345 -6.6345 -6.6339 -6.6339 -5.9765 -5.9765 -5.6410 -5.6410 -5.5644 -5.5644 -3.7322 -3.7322 -3.7192 -3.7192 -3.6404 -3.6404 4.0905 4.0905 5.4078 5.4078 5.6067 5.6067 5.9464 5.9464 6.4194 6.4194 6.4217 6.4217 6.6554 6.6554 10.1242 10.1242 10.1397 10.1397 10.1756 10.1756 13.8202 13.8202 14.1334 14.1334 14.1847 14.1847 15.7800 15.7800 k = 0.4203 0.4203 0.4203 ( 5061 PWs) bands (ev): -46.2981 -46.2981 -23.0082 -23.0082 -22.3591 -22.3591 -22.3590 -22.3590 -6.6362 -6.6362 -6.6359 -6.6359 -5.9723 -5.9723 -5.6253 -5.6253 -5.5603 -5.5603 -3.7272 -3.7272 -3.7158 -3.7158 -3.6348 -3.6348 4.1571 4.1571 5.3767 5.3767 5.5769 5.5769 5.9159 5.9159 6.3998 6.3998 6.4017 6.4017 6.5219 6.5219 10.1443 10.1443 10.1597 10.1597 10.1894 10.1894 13.8516 13.8516 14.1539 14.1539 14.1999 14.1999 15.8220 15.8220 k = 0.4275 0.4275 0.4275 ( 5070 PWs) bands (ev): -46.2981 -46.2981 -23.0087 -23.0087 -22.3596 -22.3596 -22.3596 -22.3596 -6.6379 -6.6379 -6.6377 -6.6377 -5.9685 -5.9685 -5.6108 -5.6108 -5.5565 -5.5565 -3.7225 -3.7225 -3.7127 -3.7127 -3.6295 -3.6295 4.2271 4.2271 5.3478 5.3478 5.5494 5.5494 5.8878 5.8878 6.3819 6.3819 6.3834 6.3834 6.3903 6.3903 10.1627 10.1627 10.1781 10.1781 10.2022 10.2022 13.8799 13.8799 14.1736 14.1736 14.2139 14.2139 15.8610 15.8610 k = 0.4348 0.4348 0.4348 ( 5076 PWs) bands (ev): -46.2981 -46.2981 -23.0092 -23.0092 -22.3601 -22.3601 -22.3601 -22.3601 -6.6394 -6.6394 -6.6393 -6.6393 -5.9651 -5.9651 -5.5974 -5.5974 -5.5531 -5.5531 -3.7181 -3.7181 -3.7100 -3.7100 -3.6245 -3.6245 4.3003 4.3003 5.3211 5.3211 5.5243 5.5243 5.8622 5.8622 6.2611 6.2611 6.3657 6.3657 6.3669 6.3669 10.1793 10.1793 10.1948 10.1948 10.2140 10.2140 13.9053 13.9053 14.1924 14.1924 14.2267 14.2267 15.8968 15.8968 k = 0.4420 0.4420 0.4420 ( 5070 PWs) bands (ev): -46.2980 -46.2980 -23.0096 -23.0096 -22.3606 -22.3606 -22.3606 -22.3606 -6.6408 -6.6408 -6.6408 -6.6408 -5.9621 -5.9621 -5.5853 -5.5853 -5.5501 -5.5501 -3.7141 -3.7141 -3.7075 -3.7075 -3.6198 -3.6198 4.3767 4.3767 5.2967 5.2967 5.5016 5.5016 5.8391 5.8391 6.1347 6.1347 6.3512 6.3512 6.3521 6.3521 10.1943 10.1943 10.2099 10.2099 10.2247 10.2247 13.9277 13.9277 14.2099 14.2099 14.2383 14.2383 15.9293 15.9293 k = 0.4493 0.4493 0.4493 ( 5082 PWs) bands (ev): -46.2980 -46.2980 -23.0099 -23.0099 -22.3610 -22.3610 -22.3610 -22.3610 -6.6421 -6.6421 -6.6421 -6.6421 -5.9595 -5.9595 -5.5745 -5.5745 -5.5474 -5.5474 -3.7105 -3.7105 -3.7053 -3.7053 -3.6156 -3.6156 4.4560 4.4560 5.2745 5.2745 5.4814 5.4814 5.8186 5.8186 6.0115 6.0115 6.3383 6.3383 6.3390 6.3390 10.2074 10.2074 10.2234 10.2234 10.2344 10.2344 13.9471 13.9471 14.2260 14.2260 14.2486 14.2486 15.9584 15.9584 k = 0.4565 0.4565 0.4565 ( 5079 PWs) bands (ev): -46.2980 -46.2980 -23.0102 -23.0102 -22.3613 -22.3613 -22.3613 -22.3613 -6.6433 -6.6433 -6.6432 -6.6432 -5.9572 -5.9572 -5.5651 -5.5651 -5.5450 -5.5450 -3.7074 -3.7074 -3.7034 -3.7034 -3.6118 -3.6118 4.5380 4.5380 5.2542 5.2542 5.4638 5.4638 5.8004 5.8004 5.8924 5.8924 6.3272 6.3272 6.3277 6.3277 10.2187 10.2187 10.2351 10.2351 10.2429 10.2429 13.9638 13.9638 14.2405 14.2405 14.2576 14.2576 15.9838 15.9838 k = 0.4638 0.4638 0.4638 ( 5085 PWs) bands (ev): -46.2980 -46.2980 -23.0105 -23.0105 -22.3616 -22.3616 -22.3616 -22.3616 -6.6443 -6.6443 -6.6442 -6.6442 -5.9553 -5.9553 -5.5570 -5.5570 -5.5431 -5.5431 -3.7046 -3.7046 -3.7018 -3.7018 -3.6086 -3.6086 4.6222 4.6222 5.2354 5.2354 5.4488 5.4488 5.7729 5.7729 5.7903 5.7903 6.3178 6.3178 6.3181 6.3181 10.2281 10.2281 10.2450 10.2450 10.2503 10.2503 13.9777 13.9777 14.2530 14.2530 14.2653 14.2653 16.0055 16.0055 k = 0.4710 0.4710 0.4710 ( 5073 PWs) bands (ev): -46.2980 -46.2980 -23.0107 -23.0107 -22.3619 -22.3619 -22.3619 -22.3619 -6.6451 -6.6451 -6.6450 -6.6450 -5.9537 -5.9537 -5.5504 -5.5504 -5.5414 -5.5414 -3.7024 -3.7024 -3.7006 -3.7006 -3.6059 -3.6059 4.7079 4.7079 5.2171 5.2171 5.4365 5.4365 5.6689 5.6689 5.7740 5.7740 6.3101 6.3101 6.3103 6.3103 10.2358 10.2358 10.2532 10.2532 10.2565 10.2565 13.9889 13.9889 14.2636 14.2636 14.2716 14.2716 16.0234 16.0234 k = 0.4783 0.4783 0.4783 ( 5055 PWs) bands (ev): -46.2979 -46.2979 -23.0109 -23.0109 -22.3621 -22.3621 -22.3621 -22.3621 -6.6457 -6.6457 -6.6457 -6.6457 -5.9525 -5.9525 -5.5452 -5.5452 -5.5402 -5.5402 -3.7006 -3.7006 -3.6995 -3.6995 -3.6037 -3.6037 4.7938 4.7938 5.1976 5.1976 5.4269 5.4269 5.5714 5.5714 5.7641 5.7641 6.3041 6.3041 6.3042 6.3042 10.2417 10.2417 10.2596 10.2596 10.2614 10.2614 13.9976 13.9976 14.2720 14.2720 14.2766 14.2766 16.0375 16.0375 k = 0.4855 0.4855 0.4855 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0110 -23.0110 -22.3622 -22.3622 -22.3622 -22.3622 -6.6462 -6.6462 -6.6462 -6.6462 -5.9517 -5.9517 -5.5415 -5.5415 -5.5393 -5.5393 -3.6993 -3.6993 -3.6988 -3.6988 -3.6022 -3.6022 4.8771 4.8771 5.1734 5.1734 5.4200 5.4200 5.4898 5.4898 5.7570 5.7570 6.2998 6.2998 6.2999 6.2999 10.2459 10.2459 10.2642 10.2642 10.2649 10.2649 14.0037 14.0037 14.2780 14.2780 14.2801 14.2801 16.0475 16.0475 k = 0.4928 0.4928 0.4928 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0111 -23.0111 -22.3623 -22.3623 -22.3623 -22.3623 -6.6464 -6.6464 -6.6464 -6.6464 -5.9512 -5.9512 -5.5393 -5.5393 -5.5387 -5.5387 -3.6985 -3.6985 -3.6984 -3.6984 -3.6012 -3.6012 4.9502 4.9502 5.1423 5.1423 5.4159 5.4159 5.4342 5.4342 5.7528 5.7528 6.2973 6.2973 6.2973 6.2973 10.2484 10.2484 10.2669 10.2669 10.2671 10.2671 14.0074 14.0074 14.2817 14.2817 14.2822 14.2822 16.0536 16.0536 k = 0.5000 0.5000 0.5000 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0111 -23.0111 -22.3623 -22.3623 -22.3623 -22.3623 -6.6465 -6.6465 -6.6465 -6.6465 -5.9510 -5.9510 -5.5386 -5.5386 -5.5386 -5.5386 -3.6983 -3.6983 -3.6983 -3.6983 -3.6009 -3.6009 4.9865 4.9865 5.1213 5.1213 5.4145 5.4145 5.4145 5.4145 5.7514 5.7514 6.2964 6.2964 6.2964 6.2964 10.2492 10.2492 10.2678 10.2678 10.2678 10.2678 14.0086 14.0086 14.2829 14.2829 14.2829 14.2829 16.0556 16.0556 k = 0.5000 0.5000 0.5000 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0111 -23.0111 -22.3623 -22.3623 -22.3623 -22.3623 -6.6465 -6.6465 -6.6465 -6.6465 -5.9510 -5.9510 -5.5386 -5.5386 -5.5386 -5.5386 -3.6983 -3.6983 -3.6983 -3.6983 -3.6009 -3.6009 4.9865 4.9865 5.1213 5.1213 5.4145 5.4145 5.4145 5.4145 5.7514 5.7514 6.2964 6.2964 6.2964 6.2964 10.2492 10.2492 10.2678 10.2678 10.2678 10.2678 14.0086 14.0086 14.2829 14.2829 14.2829 14.2829 16.0556 16.0556 k = 0.4911 0.5000 0.4911 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0111 -23.0111 -22.3623 -22.3623 -22.3623 -22.3623 -6.6465 -6.6465 -6.6464 -6.6464 -5.9512 -5.9512 -5.5393 -5.5393 -5.5388 -5.5388 -3.6985 -3.6985 -3.6984 -3.6984 -3.6012 -3.6012 4.9498 4.9498 5.1426 5.1426 5.4160 5.4160 5.4343 5.4343 5.7528 5.7528 6.2968 6.2968 6.2977 6.2977 10.2483 10.2483 10.2667 10.2667 10.2672 10.2672 14.0074 14.0074 14.2816 14.2816 14.2823 14.2823 16.0536 16.0536 k = 0.4821 0.5000 0.4821 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0110 -23.0110 -22.3623 -22.3623 -22.3621 -22.3621 -6.6465 -6.6465 -6.6458 -6.6458 -5.9517 -5.9517 -5.5415 -5.5415 -5.5394 -5.5394 -3.6993 -3.6993 -3.6988 -3.6988 -3.6022 -3.6022 4.8759 4.8759 5.1740 5.1740 5.4205 5.4205 5.4901 5.4901 5.7571 5.7571 6.2981 6.2981 6.3017 6.3017 10.2458 10.2458 10.2636 10.2636 10.2655 10.2655 14.0037 14.0037 14.2776 14.2776 14.2805 14.2805 16.0475 16.0475 k = 0.4732 0.5000 0.4732 ( 5050 PWs) bands (ev): -46.2979 -46.2979 -23.0109 -23.0109 -22.3622 -22.3622 -22.3619 -22.3619 -6.6464 -6.6464 -6.6449 -6.6449 -5.9525 -5.9525 -5.5451 -5.5451 -5.5405 -5.5405 -3.7007 -3.7007 -3.6995 -3.6995 -3.6038 -3.6038 4.7917 4.7917 5.1987 5.1987 5.4281 5.4281 5.5717 5.5717 5.7641 5.7641 6.3003 6.3003 6.3083 6.3083 10.2412 10.2412 10.2585 10.2585 10.2626 10.2626 13.9975 13.9975 14.2709 14.2709 14.2775 14.2775 16.0373 16.0373 k = 0.4643 0.5000 0.4643 ( 5068 PWs) bands (ev): -46.2980 -46.2980 -23.0107 -23.0107 -22.3621 -22.3621 -22.3616 -22.3616 -6.6464 -6.6464 -6.6437 -6.6437 -5.9538 -5.9538 -5.5501 -5.5501 -5.5419 -5.5419 -3.7026 -3.7026 -3.7004 -3.7004 -3.6059 -3.6059 4.7046 4.7046 5.2191 5.2191 5.4388 5.4388 5.6693 5.6693 5.7738 5.7738 6.3035 6.3035 6.3175 6.3175 10.2343 10.2343 10.2518 10.2518 10.2587 10.2587 13.9887 13.9887 14.2616 14.2616 14.2734 14.2734 16.0231 16.0231 k = 0.4554 0.5000 0.4554 ( 5086 PWs) bands (ev): -46.2980 -46.2980 -23.0105 -23.0105 -22.3620 -22.3620 -22.3612 -22.3612 -6.6463 -6.6463 -6.6422 -6.6422 -5.9553 -5.9553 -5.5565 -5.5565 -5.5438 -5.5438 -3.7050 -3.7050 -3.7016 -3.7016 -3.6087 -3.6087 4.6175 4.6175 5.2383 5.2383 5.4525 5.4525 5.7764 5.7764 5.7863 5.7863 6.3078 6.3078 6.3293 6.3293 10.2248 10.2248 10.2437 10.2437 10.2538 10.2538 13.9774 13.9774 14.2499 14.2499 14.2684 14.2684 16.0050 16.0050 k = 0.4464 0.5000 0.4464 ( 5084 PWs) bands (ev): -46.2980 -46.2980 -23.0102 -23.0102 -22.3619 -22.3619 -22.3608 -22.3608 -6.6462 -6.6462 -6.6403 -6.6403 -5.9573 -5.9573 -5.5642 -5.5642 -5.5461 -5.5461 -3.7080 -3.7080 -3.7030 -3.7030 -3.6120 -3.6120 4.5317 4.5317 5.2582 5.2582 5.4693 5.4693 5.8008 5.8008 5.8904 5.8904 6.3133 6.3133 6.3438 6.3438 10.2125 10.2125 10.2342 10.2342 10.2481 10.2481 13.9635 13.9635 14.2357 14.2357 14.2627 14.2627 15.9831 15.9831 k = 0.4375 0.5000 0.4375 ( 5084 PWs) bands (ev): -46.2980 -46.2980 -23.0099 -23.0099 -22.3617 -22.3617 -22.3602 -22.3602 -6.6461 -6.6461 -6.6381 -6.6381 -5.9595 -5.9595 -5.5732 -5.5732 -5.5488 -5.5488 -3.7114 -3.7114 -3.7047 -3.7047 -3.6158 -3.6158 4.4479 4.4479 5.2796 5.2796 5.4892 5.4892 5.8177 5.8177 6.0088 6.0088 6.3204 6.3204 6.3607 6.3607 10.1976 10.1976 10.2233 10.2233 10.2414 10.2414 13.9470 13.9470 14.2192 14.2192 14.2562 14.2562 15.9576 15.9576 k = 0.4286 0.5000 0.4286 ( 5084 PWs) bands (ev): -46.2980 -46.2980 -23.0095 -23.0095 -22.3616 -22.3616 -22.3596 -22.3596 -6.6459 -6.6459 -6.6356 -6.6356 -5.9622 -5.9622 -5.5835 -5.5835 -5.5520 -5.5520 -3.7153 -3.7153 -3.7066 -3.7066 -3.6201 -3.6201 4.3667 4.3667 5.3029 5.3029 5.5122 5.5122 5.8366 5.8366 6.1308 6.1308 6.3291 6.3291 6.3802 6.3802 10.1802 10.1802 10.2106 10.2106 10.2339 10.2339 13.9279 13.9279 14.2006 14.2006 14.2492 14.2492 15.9284 15.9285 k = 0.4196 0.5000 0.4196 ( 5078 PWs) bands (ev): -46.2981 -46.2981 -23.0091 -23.0091 -22.3614 -22.3614 -22.3588 -22.3588 -6.6458 -6.6458 -6.6329 -6.6329 -5.9652 -5.9652 -5.5950 -5.5950 -5.5555 -5.5555 -3.7197 -3.7197 -3.7088 -3.7088 -3.6248 -3.6248 4.2881 4.2881 5.3282 5.3282 5.5384 5.5384 5.8571 5.8571 6.2557 6.2557 6.3399 6.3399 6.4021 6.4021 10.1605 10.1605 10.1961 10.1961 10.2255 10.2255 13.9063 13.9063 14.1801 14.1801 14.2418 14.2418 15.8960 15.8960 k = 0.4107 0.5000 0.4107 ( 5070 PWs) bands (ev): -46.2981 -46.2981 -23.0087 -23.0087 -22.3611 -22.3611 -22.3580 -22.3580 -6.6457 -6.6457 -6.6299 -6.6299 -5.9685 -5.9685 -5.6076 -5.6076 -5.5594 -5.5594 -3.7245 -3.7245 -3.7112 -3.7112 -3.6299 -3.6299 4.2125 4.2125 5.3556 5.3556 5.5676 5.5676 5.8787 5.8787 6.3531 6.3531 6.3831 6.3831 6.4265 6.4265 10.1388 10.1388 10.1795 10.1795 10.2161 10.2161 13.8822 13.8822 14.1577 14.1577 14.2341 14.2341 15.8603 15.8604 k = 0.4018 0.5000 0.4018 ( 5074 PWs) bands (ev): -46.2981 -46.2981 -23.0082 -23.0082 -22.3609 -22.3609 -22.3572 -22.3572 -6.6456 -6.6456 -6.6266 -6.6266 -5.9723 -5.9723 -5.6213 -5.6213 -5.5637 -5.5637 -3.7297 -3.7297 -3.7137 -3.7137 -3.6354 -3.6354 4.1399 4.1399 5.3849 5.3849 5.5999 5.5999 5.9011 5.9011 6.3693 6.3693 6.4531 6.4531 6.5126 6.5126 10.1151 10.1151 10.1607 10.1607 10.2058 10.2058 13.8558 13.8558 14.1338 14.1338 14.2263 14.2263 15.8217 15.8217 k = 0.3929 0.5000 0.3929 ( 5078 PWs) bands (ev): -46.2982 -46.2982 -23.0077 -23.0077 -22.3606 -22.3606 -22.3562 -22.3562 -6.6455 -6.6455 -6.6232 -6.6232 -5.9764 -5.9764 -5.6359 -5.6359 -5.5684 -5.5684 -3.7353 -3.7353 -3.7166 -3.7166 -3.6412 -3.6412 4.0705 4.0705 5.4163 5.4163 5.6353 5.6353 5.9236 5.9236 6.3889 6.3889 6.4821 6.4821 6.6438 6.6438 10.0897 10.0897 10.1395 10.1395 10.1945 10.1945 13.8273 13.8273 14.1087 14.1087 14.2182 14.2182 15.7804 15.7804 k = 0.3839 0.5000 0.3839 ( 5082 PWs) bands (ev): -46.2982 -46.2982 -23.0071 -23.0071 -22.3604 -22.3604 -22.3552 -22.3552 -6.6455 -6.6455 -6.6195 -6.6195 -5.9809 -5.9809 -5.6513 -5.6513 -5.5734 -5.5734 -3.7412 -3.7412 -3.7196 -3.7196 -3.6472 -3.6472 4.0042 4.0042 5.4495 5.4495 5.6737 5.6737 5.9458 5.9458 6.4125 6.4125 6.5133 6.5133 6.7764 6.7764 10.0628 10.0628 10.1159 10.1159 10.1821 10.1821 13.7968 13.7968 14.0825 14.0825 14.2101 14.2101 15.7364 15.7364 k = 0.3750 0.5000 0.3750 ( 5086 PWs) bands (ev): -46.2983 -46.2983 -23.0065 -23.0065 -22.3601 -22.3601 -22.3541 -22.3541 -6.6455 -6.6455 -6.6157 -6.6157 -5.9859 -5.9859 -5.6676 -5.6676 -5.5788 -5.5788 -3.7474 -3.7474 -3.7227 -3.7227 -3.6534 -3.6534 3.9412 3.9412 5.4846 5.4846 5.7149 5.7149 5.9669 5.9669 6.4406 6.4406 6.5466 6.5466 6.9102 6.9102 10.0345 10.0345 10.0896 10.0896 10.1688 10.1688 13.7644 13.7644 14.0556 14.0556 14.2019 14.2019 15.6902 15.6902 k = 0.3661 0.5000 0.3661 ( 5082 PWs) bands (ev): -46.2983 -46.2983 -23.0059 -23.0059 -22.3597 -22.3597 -22.3530 -22.3530 -6.6455 -6.6455 -6.6117 -6.6117 -5.9913 -5.9913 -5.6844 -5.6844 -5.5846 -5.5846 -3.7539 -3.7539 -3.7261 -3.7261 -3.6598 -3.6598 3.8814 3.8814 5.5215 5.5215 5.7590 5.7590 5.9866 5.9866 6.4737 6.4737 6.5820 6.5820 7.0448 7.0448 10.0049 10.0049 10.0606 10.0606 10.1543 10.1543 13.7305 13.7305 14.0283 14.0283 14.1936 14.1936 15.6418 15.6418 k = 0.3571 0.5000 0.3571 ( 5090 PWs) bands (ev): -46.2984 -46.2984 -23.0052 -23.0052 -22.3594 -22.3594 -22.3518 -22.3518 -6.6456 -6.6456 -6.6076 -6.6076 -5.9972 -5.9972 -5.7018 -5.7018 -5.5907 -5.5907 -3.7606 -3.7606 -3.7297 -3.7297 -3.6663 -3.6663 3.8249 3.8249 5.5600 5.5600 5.8057 5.8057 6.0046 6.0046 6.5121 6.5121 6.6194 6.6194 7.1798 7.1798 9.9744 9.9744 10.0288 10.0288 10.1388 10.1388 13.6951 13.6951 14.0011 14.0011 14.1853 14.1853 15.5916 15.5916 k = 0.3482 0.5000 0.3482 ( 5082 PWs) bands (ev): -46.2984 -46.2984 -23.0045 -23.0045 -22.3590 -22.3590 -22.3505 -22.3505 -6.6458 -6.6458 -6.6034 -6.6034 -6.0037 -6.0037 -5.7195 -5.7195 -5.5971 -5.5971 -3.7674 -3.7674 -3.7334 -3.7334 -3.6728 -3.6728 3.7717 3.7717 5.6002 5.6002 5.8549 5.8549 6.0205 6.0205 6.5558 6.5558 6.6586 6.6586 7.3151 7.3151 9.9429 9.9429 9.9940 9.9940 10.1221 10.1221 13.6585 13.6585 13.9743 13.9743 14.1770 14.1770 15.5396 15.5396 k = 0.3393 0.5000 0.3393 ( 5080 PWs) bands (ev): -46.2985 -46.2985 -23.0038 -23.0038 -22.3587 -22.3587 -22.3492 -22.3492 -6.6461 -6.6461 -6.5991 -6.5991 -6.0107 -6.0107 -5.7375 -5.7375 -5.6039 -5.6039 -3.7743 -3.7743 -3.7372 -3.7372 -3.6794 -3.6794 3.7217 3.7217 5.6421 5.6421 5.9065 5.9065 6.0344 6.0344 6.6050 6.6050 6.6996 6.6996 7.4501 7.4501 9.9108 9.9108 9.9564 9.9564 10.1044 10.1044 13.6208 13.6208 13.9482 13.9482 14.1686 14.1686 15.4861 15.4861 k = 0.3304 0.5000 0.3304 ( 5068 PWs) bands (ev): -46.2985 -46.2985 -23.0030 -23.0030 -22.3583 -22.3583 -22.3479 -22.3479 -6.6464 -6.6464 -6.5948 -6.5948 -6.0185 -6.0185 -5.7555 -5.7555 -5.6109 -5.6109 -3.7813 -3.7813 -3.7413 -3.7413 -3.6860 -3.6860 3.6750 3.6750 5.6854 5.6854 5.9601 5.9601 6.0464 6.0464 6.6594 6.6594 6.7422 6.7422 7.5845 7.5845 9.8782 9.8782 9.9159 9.9159 10.0855 10.0855 13.5821 13.5821 13.9235 13.9235 14.1602 14.1602 15.4312 15.4312 k = 0.3214 0.5000 0.3214 ( 5080 PWs) bands (ev): -46.2986 -46.2986 -23.0023 -23.0023 -22.3579 -22.3579 -22.3465 -22.3465 -6.6470 -6.6470 -6.5904 -6.5904 -6.0269 -6.0269 -5.7734 -5.7734 -5.6182 -5.6182 -3.7883 -3.7883 -3.7454 -3.7454 -3.6925 -3.6925 3.6315 3.6315 5.7304 5.7304 6.0152 6.0152 6.0574 6.0574 6.7188 6.7188 6.7863 6.7863 7.7179 7.7179 9.8451 9.8451 9.8728 9.8728 10.0654 10.0654 13.5425 13.5425 13.9003 13.9003 14.1518 14.1518 15.3751 15.3751 k = 0.3125 0.5000 0.3125 ( 5076 PWs) bands (ev): -46.2986 -46.2986 -23.0015 -23.0015 -22.3575 -22.3575 -22.3450 -22.3450 -6.6476 -6.6476 -6.5859 -6.5859 -6.0361 -6.0361 -5.7910 -5.7910 -5.6258 -5.6258 -3.7952 -3.7952 -3.7498 -3.7498 -3.6989 -3.6989 3.5912 3.5912 5.7768 5.7768 6.0587 6.0587 6.0801 6.0801 6.7829 6.7829 6.8318 6.8318 7.8498 7.8498 9.8112 9.8112 9.8277 9.8277 10.0441 10.0441 13.5022 13.5022 13.8792 13.8792 14.1433 14.1433 15.3177 15.3177 k = 0.3036 0.5000 0.3036 ( 5084 PWs) bands (ev): -46.2987 -46.2987 -23.0007 -23.0007 -22.3571 -22.3571 -22.3435 -22.3435 -6.6484 -6.6484 -6.5815 -6.5815 -6.0462 -6.0462 -5.8081 -5.8081 -5.6337 -5.6337 -3.8019 -3.8019 -3.7542 -3.7542 -3.7052 -3.7052 3.5541 3.5541 5.8246 5.8246 6.0691 6.0691 6.1362 6.1362 6.8511 6.8511 6.8788 6.8788 7.9795 7.9795 9.7725 9.7725 9.7852 9.7852 10.0216 10.0216 13.4613 13.4613 13.8605 13.8605 14.1348 14.1348 15.2592 15.2592 k = 0.2946 0.5000 0.2946 ( 5096 PWs) bands (ev): -46.2987 -46.2987 -22.9998 -22.9998 -22.3566 -22.3566 -22.3420 -22.3420 -6.6494 -6.6494 -6.5770 -6.5770 -6.0573 -6.0573 -5.8246 -5.8246 -5.6418 -5.6418 -3.8086 -3.8086 -3.7588 -3.7588 -3.7114 -3.7114 3.5202 3.5202 5.8738 5.8738 6.0752 6.0752 6.1971 6.1971 6.9202 6.9202 6.9302 6.9302 8.1063 8.1063 9.7246 9.7246 9.7503 9.7503 9.9980 9.9980 13.4197 13.4197 13.8445 13.8445 14.1262 14.1262 15.1996 15.1997 k = 0.2857 0.5000 0.2857 ( 5096 PWs) bands (ev): -46.2988 -46.2988 -22.9990 -22.9990 -22.3562 -22.3562 -22.3405 -22.3405 -6.6506 -6.6506 -6.5726 -6.5726 -6.0694 -6.0694 -5.8403 -5.8403 -5.6501 -5.6501 -3.8150 -3.8150 -3.7636 -3.7636 -3.7173 -3.7173 3.4893 3.4893 5.9243 5.9243 6.0799 6.0799 6.2597 6.2597 6.9731 6.9731 7.0023 7.0023 8.2293 8.2293 9.6735 9.6735 9.7181 9.7181 9.9732 9.9732 13.3777 13.3777 13.8314 13.8314 14.1175 14.1175 15.1389 15.1389 k = 0.2768 0.5000 0.2768 ( 5096 PWs) bands (ev): -46.2989 -46.2989 -22.9982 -22.9982 -22.3557 -22.3557 -22.3389 -22.3389 -6.6520 -6.6520 -6.5681 -6.5681 -6.0825 -6.0825 -5.8550 -5.8550 -5.6586 -5.6586 -3.8211 -3.8211 -3.7684 -3.7684 -3.7231 -3.7231 3.4615 3.4615 5.9760 5.9760 6.0837 6.0837 6.3238 6.3238 7.0227 7.0227 7.0820 7.0820 8.3472 8.3472 9.6218 9.6218 9.6871 9.6871 9.9471 9.9471 13.3353 13.3353 13.8214 13.8214 14.1088 14.1088 15.0771 15.0771 k = 0.2679 0.5000 0.2679 ( 5104 PWs) bands (ev): -46.2989 -46.2989 -22.9973 -22.9973 -22.3553 -22.3553 -22.3374 -22.3374 -6.6536 -6.6536 -6.5637 -6.5637 -6.0967 -6.0967 -5.8687 -5.8687 -5.6673 -5.6673 -3.8270 -3.8270 -3.7734 -3.7734 -3.7286 -3.7286 3.4367 3.4367 6.0283 6.0283 6.0873 6.0873 6.3890 6.3890 7.0725 7.0725 7.1652 7.1652 8.4581 8.4581 9.5715 9.5715 9.6572 9.6572 9.9199 9.9199 13.2926 13.2926 13.8144 13.8144 14.1001 14.1001 15.0140 15.0140 k = 0.2589 0.5000 0.2589 ( 5104 PWs) bands (ev): -46.2990 -46.2990 -22.9965 -22.9965 -22.3548 -22.3548 -22.3358 -22.3358 -6.6555 -6.6555 -6.5592 -6.5592 -6.1119 -6.1119 -5.8813 -5.8813 -5.6761 -5.6761 -3.8326 -3.8326 -3.7784 -3.7784 -3.7338 -3.7338 3.4148 3.4148 6.0755 6.0755 6.0964 6.0964 6.4552 6.4552 7.1225 7.1225 7.2515 7.2515 8.5594 8.5594 9.5252 9.5252 9.6286 9.6286 9.8914 9.8914 13.2497 13.2497 13.8104 13.8104 14.0913 14.0913 14.9496 14.9496 k = 0.2500 0.5000 0.2500 ( 5104 PWs) bands (ev): -46.2991 -46.2991 -22.9956 -22.9956 -22.3544 -22.3544 -22.3342 -22.3342 -6.6576 -6.6576 -6.5548 -6.5548 -6.1280 -6.1280 -5.8929 -5.8929 -5.6850 -5.6850 -3.8379 -3.8379 -3.7835 -3.7835 -3.7388 -3.7388 3.3958 3.3958 6.0866 6.0866 6.1420 6.1420 6.5222 6.5222 7.1724 7.1724 7.3406 7.3406 8.6470 8.6470 9.4869 9.4869 9.6016 9.6016 9.8618 9.8618 13.2067 13.2067 13.8092 13.8092 14.0824 14.0824 14.8837 14.8837 k = 0.2411 0.5000 0.2411 ( 5104 PWs) bands (ev): -46.2991 -46.2991 -22.9948 -22.9948 -22.3539 -22.3539 -22.3326 -22.3326 -6.6600 -6.6600 -6.5505 -6.5505 -6.1448 -6.1448 -5.9034 -5.9034 -5.6940 -5.6940 -3.8428 -3.8428 -3.7886 -3.7886 -3.7436 -3.7436 3.3796 3.3796 6.0885 6.0885 6.1975 6.1975 6.5899 6.5899 7.2221 7.2221 7.4323 7.4323 8.7155 8.7155 9.4620 9.4620 9.5764 9.5764 9.8310 9.8310 13.1638 13.1638 13.8106 13.8106 14.0734 14.0734 14.8163 14.8163 k = 0.2321 0.5000 0.2321 ( 5104 PWs) bands (ev): -46.2992 -46.2992 -22.9939 -22.9939 -22.3534 -22.3534 -22.3310 -22.3310 -6.6626 -6.6626 -6.5461 -6.5461 -6.1624 -6.1624 -5.9129 -5.9129 -5.7031 -5.7031 -3.8474 -3.8474 -3.7938 -3.7938 -3.7481 -3.7481 3.3661 3.3661 6.0892 6.0892 6.2546 6.2546 6.6579 6.6579 7.2713 7.2713 7.5262 7.5262 8.7582 8.7582 9.4570 9.4570 9.5532 9.5532 9.7991 9.7991 13.1211 13.1211 13.8142 13.8142 14.0644 14.0644 14.7474 14.7474 k = 0.2232 0.5000 0.2232 ( 5104 PWs) bands (ev): -46.2992 -46.2992 -22.9931 -22.9931 -22.3530 -22.3530 -22.3295 -22.3295 -6.6655 -6.6655 -6.5418 -6.5418 -6.1804 -6.1804 -5.9215 -5.9215 -5.7122 -5.7122 -3.8516 -3.8516 -3.7989 -3.7989 -3.7523 -3.7523 3.3553 3.3553 6.0893 6.0893 6.3127 6.3127 6.7263 6.7263 7.3197 7.3197 7.6222 7.6222 8.7713 8.7713 9.4758 9.4758 9.5326 9.5326 9.7661 9.7661 13.0786 13.0786 13.8194 13.8194 14.0553 14.0553 14.6768 14.6768 k = 0.2143 0.5000 0.2143 ( 5100 PWs) bands (ev): -46.2993 -46.2993 -22.9922 -22.9922 -22.3525 -22.3525 -22.3279 -22.3279 -6.6686 -6.6686 -6.5374 -6.5374 -6.1987 -6.1987 -5.9293 -5.9293 -5.7214 -5.7214 -3.8555 -3.8555 -3.8039 -3.8039 -3.7562 -3.7562 3.3470 3.3470 6.0891 6.0891 6.3716 6.3716 6.7946 6.7946 7.3672 7.3672 7.7200 7.7200 8.7561 8.7561 9.5069 9.5069 9.5248 9.5248 9.7319 9.7319 13.0366 13.0366 13.8256 13.8256 14.0462 14.0462 14.6046 14.6046 k = 0.2054 0.5000 0.2054 ( 5108 PWs) bands (ev): -46.2994 -46.2994 -22.9914 -22.9914 -22.3521 -22.3521 -22.3264 -22.3264 -6.6720 -6.6720 -6.5332 -6.5332 -6.2172 -6.2172 -5.9364 -5.9364 -5.7304 -5.7304 -3.8591 -3.8591 -3.8088 -3.8088 -3.7599 -3.7599 3.3411 3.3411 6.0885 6.0885 6.4312 6.4312 6.8628 6.8628 7.4133 7.4133 7.8194 7.8194 8.7189 8.7189 9.4956 9.4956 9.5786 9.5786 9.6968 9.6968 12.9950 12.9950 13.8320 13.8320 14.0371 14.0371 14.5310 14.5310 k = 0.1964 0.5000 0.1964 ( 5108 PWs) bands (ev): -46.2994 -46.2994 -22.9906 -22.9906 -22.3516 -22.3516 -22.3249 -22.3249 -6.6756 -6.6756 -6.5289 -6.5289 -6.2357 -6.2357 -5.9428 -5.9428 -5.7395 -5.7395 -3.8624 -3.8624 -3.8136 -3.8136 -3.7633 -3.7633 3.3376 3.3376 6.0877 6.0877 6.4914 6.4914 6.9306 6.9306 7.4579 7.4579 7.9202 7.9202 8.6664 8.6664 9.4826 9.4826 9.6466 9.6466 9.6610 9.6610 12.9540 12.9540 13.8379 13.8379 14.0279 14.0279 14.4564 14.4564 k = 0.1875 0.5000 0.1875 ( 5104 PWs) bands (ev): -46.2995 -46.2995 -22.9898 -22.9898 -22.3512 -22.3512 -22.3234 -22.3234 -6.6795 -6.6795 -6.5248 -6.5248 -6.2540 -6.2540 -5.9486 -5.9486 -5.7484 -5.7484 -3.8654 -3.8654 -3.8182 -3.8182 -3.7664 -3.7664 3.3362 3.3362 6.0867 6.0867 6.5519 6.5519 6.9979 6.9979 7.5006 7.5006 8.0219 8.0219 8.6040 8.6040 9.4723 9.4723 9.6234 9.6234 9.7209 9.7209 12.9137 12.9137 13.8420 13.8420 14.0188 14.0188 14.3813 14.3813 k = 0.1786 0.5000 0.1786 ( 5116 PWs) bands (ev): -46.2995 -46.2995 -22.9890 -22.9890 -22.3507 -22.3507 -22.3219 -22.3219 -6.6835 -6.6835 -6.5207 -6.5207 -6.2720 -6.2720 -5.9540 -5.9540 -5.7572 -5.7572 -3.8683 -3.8683 -3.8225 -3.8225 -3.7693 -3.7693 3.3369 3.3369 6.0855 6.0855 6.6128 6.6128 7.0643 7.0643 7.5412 7.5412 8.1244 8.1244 8.5356 8.5356 9.4649 9.4649 9.5854 9.5854 9.7963 9.7963 12.8741 12.8741 13.8431 13.8431 14.0097 14.0097 14.3068 14.3068 k = 0.1696 0.5000 0.1696 ( 5108 PWs) bands (ev): -46.2996 -46.2996 -22.9883 -22.9883 -22.3503 -22.3503 -22.3205 -22.3205 -6.6876 -6.6876 -6.5167 -6.5167 -6.2897 -6.2897 -5.9590 -5.9590 -5.7658 -5.7658 -3.8709 -3.8709 -3.8266 -3.8266 -3.7720 -3.7720 3.3395 3.3395 6.0841 6.0841 6.6738 6.6738 7.1297 7.1297 7.5796 7.5796 8.2269 8.2269 8.4640 8.4640 9.4607 9.4607 9.5466 9.5466 9.8712 9.8712 12.8353 12.8353 13.8391 13.8391 14.0007 14.0007 14.2346 14.2346 k = 0.1607 0.5000 0.1607 ( 5108 PWs) bands (ev): -46.2996 -46.2996 -22.9876 -22.9876 -22.3499 -22.3499 -22.3191 -22.3191 -6.6919 -6.6919 -6.5128 -6.5128 -6.3068 -6.3068 -5.9635 -5.9635 -5.7742 -5.7742 -3.8734 -3.8734 -3.8304 -3.8304 -3.7744 -3.7744 3.3440 3.3440 6.0826 6.0826 6.7347 6.7347 7.1938 7.1938 7.6154 7.6154 8.3240 8.3240 8.3960 8.3960 9.4595 9.4595 9.5072 9.5072 9.9442 9.9442 12.7972 12.7972 13.8275 13.8275 13.9918 13.9918 14.1674 14.1674 k = 0.1518 0.5000 0.1518 ( 5124 PWs) bands (ev): -46.2997 -46.2997 -22.9869 -22.9869 -22.3495 -22.3495 -22.3178 -22.3178 -6.6964 -6.6964 -6.5090 -6.5090 -6.3232 -6.3232 -5.9678 -5.9678 -5.7824 -5.7824 -3.8759 -3.8759 -3.8338 -3.8338 -3.7765 -3.7765 3.3500 3.3500 6.0811 6.0811 6.7954 6.7954 7.2564 7.2564 7.6486 7.6486 8.3068 8.3068 8.4416 8.4416 9.4609 9.4609 9.4678 9.4678 10.0145 10.0145 12.7600 12.7600 13.8047 13.8047 13.9832 13.9832 14.1088 14.1088 k = 0.1429 0.5000 0.1429 ( 5110 PWs) bands (ev): -46.2998 -46.2998 -22.9862 -22.9862 -22.3491 -22.3491 -22.3165 -22.3165 -6.7008 -6.7008 -6.5055 -6.5055 -6.3389 -6.3389 -5.9717 -5.9717 -5.7902 -5.7902 -3.8783 -3.8783 -3.8369 -3.8369 -3.7785 -3.7785 3.3574 3.3574 6.0795 6.0795 6.8557 6.8557 7.3172 7.3172 7.6790 7.6790 8.2340 8.2340 8.5426 8.5426 9.4264 9.4264 9.4669 9.4669 10.0815 10.0815 12.7235 12.7235 13.7675 13.7675 13.9749 13.9749 14.0622 14.0622 k = 0.1339 0.5000 0.1339 ( 5108 PWs) bands (ev): -46.2998 -46.2998 -22.9856 -22.9856 -22.3487 -22.3487 -22.3153 -22.3153 -6.7053 -6.7053 -6.5021 -6.5021 -6.3538 -6.3538 -5.9754 -5.9754 -5.7978 -5.7978 -3.8806 -3.8806 -3.8396 -3.8396 -3.7801 -3.7801 3.3660 3.3660 6.0779 6.0779 6.9154 6.9154 7.3759 7.3759 7.7067 7.7067 8.1604 8.1604 8.6448 8.6448 9.3856 9.3856 9.4747 9.4747 10.1447 10.1447 12.6878 12.6878 13.7157 13.7157 13.9668 13.9668 14.0284 14.0284 k = 0.1250 0.5000 0.1250 ( 5108 PWs) bands (ev): -46.2998 -46.2998 -22.9849 -22.9849 -22.3484 -22.3484 -22.3141 -22.3141 -6.7098 -6.7098 -6.4991 -6.4991 -6.3676 -6.3676 -5.9789 -5.9789 -5.8050 -5.8050 -3.8829 -3.8829 -3.8420 -3.8420 -3.7816 -3.7816 3.3757 3.3757 6.0763 6.0763 6.9741 6.9741 7.4324 7.4324 7.7315 7.7315 8.0880 8.0880 8.7463 8.7463 9.3446 9.3446 9.4853 9.4853 10.2040 10.2040 12.6528 12.6528 13.6527 13.6527 13.9589 13.9589 14.0051 14.0051 k = 0.1161 0.5000 0.1161 ( 5096 PWs) bands (ev): -46.2999 -46.2999 -22.9844 -22.9844 -22.3481 -22.3481 -22.3130 -22.3130 -6.7142 -6.7142 -6.4964 -6.4964 -6.3804 -6.3804 -5.9822 -5.9822 -5.8118 -5.8118 -3.8852 -3.8852 -3.8441 -3.8441 -3.7828 -3.7828 3.3862 3.3862 6.0747 6.0747 7.0318 7.0318 7.4863 7.4863 7.7536 7.7536 8.0179 8.0179 8.8463 8.8463 9.3037 9.3037 9.4982 9.4982 10.2593 10.2593 12.6185 12.6185 13.5830 13.5830 13.9511 13.9511 13.9885 13.9885 k = 0.1071 0.5000 0.1071 ( 5100 PWs) bands (ev): -46.2999 -46.2999 -22.9838 -22.9838 -22.3477 -22.3477 -22.3120 -22.3120 -6.7185 -6.7185 -6.4942 -6.4942 -6.3919 -6.3919 -5.9853 -5.9853 -5.8182 -5.8182 -3.8875 -3.8875 -3.8458 -3.8458 -3.7838 -3.7838 3.3973 3.3973 6.0731 6.0731 7.0879 7.0879 7.5374 7.5374 7.7730 7.7730 7.9507 7.9507 8.9443 8.9443 9.2631 9.2631 9.5129 9.5129 10.3104 10.3104 12.5847 12.5847 13.5103 13.5103 13.9434 13.9434 13.9759 13.9759 k = 0.0982 0.5000 0.0982 ( 5104 PWs) bands (ev): -46.3000 -46.3000 -22.9833 -22.9833 -22.3475 -22.3475 -22.3110 -22.3110 -6.7227 -6.7227 -6.4926 -6.4926 -6.4022 -6.4022 -5.9882 -5.9882 -5.8242 -5.8242 -3.8897 -3.8897 -3.8473 -3.8473 -3.7846 -3.7846 3.4087 3.4087 6.0716 6.0716 7.1421 7.1421 7.5854 7.5854 7.7900 7.7900 7.8870 7.8870 9.0397 9.0397 9.2232 9.2232 9.5292 9.5292 10.3573 10.3573 12.5514 12.5514 13.4374 13.4374 13.9360 13.9360 13.9657 13.9657 k = 0.0893 0.5000 0.0893 ( 5104 PWs) bands (ev): -46.3000 -46.3000 -22.9829 -22.9829 -22.3472 -22.3472 -22.3101 -22.3101 -6.7266 -6.7266 -6.4917 -6.4917 -6.4110 -6.4110 -5.9909 -5.9909 -5.8297 -5.8297 -3.8918 -3.8918 -3.8485 -3.8485 -3.7852 -3.7852 3.4203 3.4203 6.0701 6.0701 7.1940 7.1940 7.6300 7.6300 7.8046 7.8046 7.8274 7.8274 9.1316 9.1316 9.1841 9.1841 9.5465 9.5465 10.4001 10.4001 12.5186 12.5186 13.3663 13.3663 13.9288 13.9288 13.9569 13.9569 k = 0.0804 0.5000 0.0804 ( 5092 PWs) bands (ev): -46.3000 -46.3000 -22.9824 -22.9824 -22.3469 -22.3469 -22.3093 -22.3093 -6.7304 -6.7304 -6.4915 -6.4915 -6.4182 -6.4182 -5.9934 -5.9934 -5.8348 -5.8348 -3.8938 -3.8938 -3.8495 -3.8495 -3.7857 -3.7857 3.4317 3.4317 6.0688 6.0688 7.2431 7.2431 7.6707 7.6707 7.7727 7.7727 7.8172 7.8172 9.1462 9.1462 9.2196 9.2196 9.5644 9.5644 10.4386 10.4386 12.4863 12.4863 13.2986 13.2986 13.9220 13.9220 13.9491 13.9491 k = 0.0714 0.5000 0.0714 ( 5088 PWs) bands (ev): -46.3001 -46.3001 -22.9821 -22.9821 -22.3467 -22.3467 -22.3086 -22.3086 -6.7338 -6.7338 -6.4920 -6.4920 -6.4239 -6.4239 -5.9957 -5.9957 -5.8393 -5.8393 -3.8957 -3.8957 -3.8503 -3.8503 -3.7861 -3.7861 3.4427 3.4427 6.0675 6.0675 7.2887 7.2887 7.7031 7.7031 7.7277 7.7277 7.8278 7.8278 9.1102 9.1102 9.3024 9.3024 9.5822 9.5822 10.4730 10.4730 12.4546 12.4546 13.2355 13.2355 13.9157 13.9157 13.9420 13.9420 k = 0.0625 0.5000 0.0625 ( 5096 PWs) bands (ev): -46.3001 -46.3001 -22.9817 -22.9817 -22.3465 -22.3465 -22.3079 -22.3079 -6.7370 -6.7370 -6.4933 -6.4933 -6.4281 -6.4281 -5.9978 -5.9978 -5.8433 -5.8433 -3.8974 -3.8974 -3.8510 -3.8510 -3.7863 -3.7863 3.4531 3.4531 6.0663 6.0663 7.3300 7.3300 7.6759 7.6759 7.7443 7.7443 7.8369 7.8369 9.0764 9.0764 9.3791 9.3791 9.5996 9.5996 10.5033 10.5033 12.4238 12.4238 13.1782 13.1782 13.9098 13.9098 13.9357 13.9357 k = 0.0536 0.5000 0.0536 ( 5088 PWs) bands (ev): -46.3001 -46.3001 -22.9814 -22.9814 -22.3463 -22.3463 -22.3074 -22.3074 -6.7398 -6.7398 -6.4951 -6.4951 -6.4311 -6.4311 -5.9997 -5.9997 -5.8468 -5.8468 -3.8989 -3.8989 -3.8516 -3.8516 -3.7864 -3.7864 3.4627 3.4627 6.0653 6.0653 7.3659 7.3659 7.6394 7.6394 7.7724 7.7724 7.8446 7.8446 9.0453 9.0453 9.4487 9.4487 9.6161 9.6161 10.5295 10.5295 12.3944 12.3944 13.1274 13.1274 13.9046 13.9046 13.9301 13.9301 k = 0.0446 0.5000 0.0446 ( 5076 PWs) bands (ev): -46.3001 -46.3001 -22.9812 -22.9812 -22.3462 -22.3462 -22.3069 -22.3069 -6.7423 -6.7423 -6.4972 -6.4972 -6.4330 -6.4330 -6.0013 -6.0013 -5.8498 -5.8498 -3.9002 -3.9002 -3.8520 -3.8520 -3.7865 -3.7865 3.4712 3.4712 6.0645 6.0645 7.3953 7.3953 7.6100 7.6100 7.7966 7.7966 7.8512 7.8512 9.0175 9.0175 9.5099 9.5099 9.6314 9.6314 10.5516 10.5516 12.3671 12.3671 13.0838 13.0838 13.9000 13.9000 13.9252 13.9252 k = 0.0357 0.5000 0.0357 ( 5084 PWs) bands (ev): -46.3001 -46.3001 -22.9810 -22.9810 -22.3461 -22.3461 -22.3065 -22.3065 -6.7443 -6.7443 -6.4993 -6.4993 -6.4342 -6.4342 -6.0027 -6.0027 -5.8522 -5.8522 -3.9014 -3.9014 -3.8524 -3.8524 -3.7866 -3.7866 3.4785 3.4785 6.0637 6.0637 7.4167 7.4167 7.5892 7.5892 7.8158 7.8158 7.8572 7.8572 8.9937 8.9937 9.5613 9.5613 9.6453 9.6453 10.5696 10.5696 12.3427 12.3427 13.0480 13.0480 13.8961 13.8961 13.9212 13.9212 k = 0.0268 0.5000 0.0268 ( 5084 PWs) bands (ev): -46.3002 -46.3002 -22.9808 -22.9808 -22.3460 -22.3460 -22.3062 -22.3062 -6.7459 -6.7459 -6.5012 -6.5012 -6.4348 -6.4348 -6.0037 -6.0037 -5.8541 -5.8541 -3.9022 -3.9022 -3.8526 -3.8526 -3.7866 -3.7866 3.4843 3.4843 6.0632 6.0632 7.4296 7.4296 7.5774 7.5774 7.8298 7.8298 7.8629 7.8629 8.9744 8.9744 9.6011 9.6011 9.6581 9.6581 10.5837 10.5837 12.3223 12.3223 13.0200 13.0200 13.8930 13.8930 13.9180 13.9180 k = 0.0179 0.5000 0.0179 ( 5084 PWs) bands (ev): -46.3002 -46.3002 -22.9807 -22.9807 -22.3459 -22.3459 -22.3059 -22.3059 -6.7471 -6.7471 -6.5026 -6.5026 -6.4352 -6.4352 -6.0045 -6.0045 -5.8554 -5.8554 -3.9028 -3.9028 -3.8528 -3.8528 -3.7866 -3.7866 3.4886 3.4886 6.0627 6.0627 7.4352 7.4352 7.5728 7.5728 7.8386 7.8386 7.8681 7.8681 8.9602 8.9602 9.6278 9.6278 9.6701 9.6701 10.5937 10.5937 12.3069 12.3069 13.0000 13.0000 13.8907 13.8907 13.9157 13.9157 k = 0.0089 0.5000 0.0089 ( 5080 PWs) bands (ev): -46.3002 -46.3002 -22.9806 -22.9806 -22.3458 -22.3458 -22.3058 -22.3058 -6.7478 -6.7478 -6.5035 -6.5035 -6.4353 -6.4353 -6.0050 -6.0050 -5.8562 -5.8562 -3.9032 -3.9032 -3.8529 -3.8529 -3.7865 -3.7865 3.4912 3.4912 6.0625 6.0625 7.4367 7.4367 7.5720 7.5720 7.8433 7.8433 7.8718 7.8718 8.9514 8.9514 9.6417 9.6417 9.6798 9.6798 10.5997 10.5997 12.2972 12.2972 12.9880 12.9880 13.8893 13.8893 13.9143 13.9143 k = 0.0000 0.5000-0.0000 ( 5078 PWs) bands (ev): -46.3002 -46.3002 -22.9806 -22.9806 -22.3458 -22.3458 -22.3058 -22.3058 -6.7480 -6.7480 -6.5038 -6.5038 -6.4354 -6.4354 -6.0052 -6.0052 -5.8565 -5.8565 -3.9034 -3.9034 -3.8530 -3.8530 -3.7865 -3.7865 3.4921 3.4921 6.0624 6.0624 7.4368 7.4368 7.5721 7.5721 7.8447 7.8447 7.8732 7.8732 8.9485 8.9485 9.6458 9.6458 9.6837 9.6837 10.6017 10.6017 12.2939 12.2939 12.9840 12.9840 13.8889 13.8889 13.9139 13.9139 k = 0.5000 0.5000-0.0000 ( 5112 PWs) bands (ev): -46.2991 -46.2991 -22.9963 -22.9963 -22.3648 -22.3648 -22.3228 -22.3228 -6.7989 -6.7989 -6.4346 -6.4346 -6.0247 -6.0247 -5.8054 -5.8054 -5.7937 -5.7937 -3.8854 -3.8854 -3.8504 -3.8504 -3.7059 -3.7059 2.9676 2.9676 5.9656 5.9656 6.2802 6.2802 7.5004 7.5004 7.7281 7.7281 8.0221 8.0221 8.0429 8.0429 8.5221 8.5221 9.1039 9.1039 10.3002 10.3002 13.9112 13.9112 13.9299 13.9299 14.2200 14.2200 14.5716 14.5716 k = 0.5000 0.5000 0.0125 ( 5112 PWs) bands (ev): -46.2990 -46.2990 -22.9963 -22.9963 -22.3648 -22.3648 -22.3229 -22.3229 -6.7985 -6.7985 -6.4350 -6.4350 -6.0247 -6.0247 -5.8051 -5.8051 -5.7932 -5.7932 -3.8851 -3.8851 -3.8501 -3.8501 -3.7058 -3.7058 2.9690 2.9690 5.9655 5.9655 6.2802 6.2802 7.4804 7.4804 7.6989 7.6989 8.0425 8.0425 8.0723 8.0723 8.5172 8.5172 9.0989 9.0989 10.3001 10.3001 13.9107 13.9107 13.9252 13.9252 14.2245 14.2245 14.5733 14.5733 k = 0.5000 0.5000 0.0250 ( 5120 PWs) bands (ev): -46.2990 -46.2990 -22.9964 -22.9964 -22.3647 -22.3647 -22.3231 -22.3231 -6.7972 -6.7972 -6.4364 -6.4364 -6.0248 -6.0248 -5.8041 -5.8041 -5.7916 -5.7916 -3.8843 -3.8843 -3.8491 -3.8491 -3.7057 -3.7057 2.9730 2.9730 5.9653 5.9653 6.2803 6.2803 7.4278 7.4278 7.6309 7.6309 8.0962 8.0962 8.1410 8.1410 8.5027 8.5027 9.0840 9.0840 10.2999 10.2999 13.9094 13.9094 13.9121 13.9121 14.2369 14.2369 14.5787 14.5787 k = 0.5000 0.5000 0.0375 ( 5120 PWs) bands (ev): -46.2990 -46.2990 -22.9965 -22.9965 -22.3647 -22.3647 -22.3234 -22.3234 -6.7952 -6.7952 -6.4386 -6.4386 -6.0250 -6.0250 -5.8025 -5.8025 -5.7891 -5.7891 -3.8829 -3.8829 -3.8475 -3.8475 -3.7054 -3.7054 2.9798 2.9798 5.9650 5.9650 6.2804 6.2804 7.3555 7.3555 7.5472 7.5472 8.1702 8.1702 8.2258 8.2258 8.4788 8.4788 9.0593 9.0593 10.2996 10.2996 13.8931 13.8931 13.9073 13.9073 14.2541 14.2541 14.5884 14.5884 k = 0.5000 0.5000 0.0500 ( 5120 PWs) bands (ev): -46.2990 -46.2990 -22.9967 -22.9967 -22.3647 -22.3647 -22.3238 -22.3238 -6.7924 -6.7924 -6.4416 -6.4416 -6.0252 -6.0252 -5.8003 -5.8003 -5.7856 -5.7856 -3.8809 -3.8809 -3.8452 -3.8452 -3.7050 -3.7050 2.9894 2.9894 5.9646 5.9646 6.2806 6.2806 7.2728 7.2728 7.4575 7.4575 8.2553 8.2553 8.3170 8.3170 8.4458 8.4458 9.0251 9.0251 10.2992 10.2992 13.8707 13.8707 13.9045 13.9045 14.2726 14.2726 14.6035 14.6035 k = 0.5000 0.5000 0.0625 ( 5128 PWs) bands (ev): -46.2990 -46.2990 -22.9968 -22.9968 -22.3647 -22.3647 -22.3244 -22.3244 -6.7888 -6.7888 -6.4455 -6.4455 -6.0254 -6.0254 -5.7975 -5.7975 -5.7812 -5.7812 -3.8784 -3.8784 -3.8424 -3.8424 -3.7045 -3.7045 3.0016 3.0016 5.9641 5.9641 6.2808 6.2808 7.1848 7.1848 7.3655 7.3655 8.3463 8.3463 8.4011 8.4011 8.4139 8.4139 8.9818 8.9818 10.2987 10.2987 13.8467 13.8467 13.9012 13.9012 14.2895 14.2895 14.6248 14.6248 k = 0.5000 0.5000 0.0750 ( 5128 PWs) bands (ev): -46.2990 -46.2990 -22.9971 -22.9971 -22.3646 -22.3646 -22.3250 -22.3250 -6.7846 -6.7846 -6.4501 -6.4501 -6.0256 -6.0256 -5.7941 -5.7941 -5.7760 -5.7760 -3.8754 -3.8754 -3.8389 -3.8389 -3.7039 -3.7039 3.0166 3.0166 5.9635 5.9635 6.2811 6.2811 7.0941 7.0941 7.2727 7.2727 8.3539 8.3539 8.4403 8.4403 8.5063 8.5063 8.9299 8.9299 10.2980 10.2980 13.8226 13.8226 13.8976 13.8976 14.3032 14.3032 14.6530 14.6530 k = 0.5000 0.5000 0.0875 ( 5116 PWs) bands (ev): -46.2990 -46.2990 -22.9973 -22.9973 -22.3646 -22.3646 -22.3258 -22.3258 -6.7797 -6.7797 -6.4553 -6.4553 -6.0256 -6.0256 -5.7902 -5.7902 -5.7699 -5.7699 -3.8718 -3.8718 -3.8349 -3.8349 -3.7031 -3.7031 3.0342 3.0342 5.9627 5.9627 6.2814 6.2814 7.0024 7.0024 7.1801 7.1801 8.2967 8.2967 8.5354 8.5354 8.6013 8.6013 8.8700 8.8700 10.2973 10.2973 13.7991 13.7991 13.8939 13.8939 14.3129 14.3129 14.6878 14.6878 k = 0.5000 0.5000 0.1000 ( 5108 PWs) bands (ev): -46.2989 -46.2989 -22.9976 -22.9976 -22.3645 -22.3645 -22.3267 -22.3267 -6.7743 -6.7743 -6.4612 -6.4612 -6.0256 -6.0256 -5.7857 -5.7857 -5.7632 -5.7632 -3.8678 -3.8678 -3.8303 -3.8303 -3.7022 -3.7022 3.0547 3.0547 5.9618 5.9618 6.2817 6.2817 6.9105 6.9105 7.0881 7.0881 8.2327 8.2327 8.6293 8.6293 8.6959 8.6959 8.8041 8.8041 10.2965 10.2965 13.7770 13.7770 13.8903 13.8903 14.3186 14.3186 14.7287 14.7287 k = 0.5000 0.5000 0.1125 ( 5108 PWs) bands (ev): -46.2989 -46.2989 -22.9980 -22.9980 -22.3645 -22.3645 -22.3277 -22.3277 -6.7683 -6.7683 -6.4676 -6.4676 -6.0254 -6.0254 -5.7807 -5.7807 -5.7557 -5.7557 -3.8633 -3.8633 -3.8252 -3.8252 -3.7012 -3.7012 3.0778 3.0778 5.9607 5.9607 6.2821 6.2821 6.8191 6.8191 6.9972 6.9972 8.1626 8.1626 8.6964 8.6964 8.7573 8.7573 8.7894 8.7894 10.2955 10.2955 13.7566 13.7566 13.8872 13.8872 14.3210 14.3210 14.7746 14.7746 k = 0.5000 0.5000 0.1250 ( 5124 PWs) bands (ev): -46.2989 -46.2989 -22.9984 -22.9984 -22.3644 -22.3644 -22.3288 -22.3288 -6.7619 -6.7619 -6.4745 -6.4745 -6.0250 -6.0250 -5.7752 -5.7752 -5.7478 -5.7478 -3.8584 -3.8584 -3.8197 -3.8197 -3.7001 -3.7001 3.1037 3.1037 5.9595 5.9595 6.2825 6.2825 6.7287 6.7287 6.9075 6.9075 8.0873 8.0873 8.6355 8.6355 8.8312 8.8312 8.8817 8.8817 10.2945 10.2945 13.7383 13.7383 13.8847 13.8847 14.3208 14.3208 14.8244 14.8244 k = 0.5000 0.5000 0.1375 ( 5116 PWs) bands (ev): -46.2989 -46.2989 -22.9988 -22.9988 -22.3643 -22.3643 -22.3299 -22.3299 -6.7552 -6.7552 -6.4818 -6.4818 -6.0244 -6.0244 -5.7692 -5.7692 -5.7393 -5.7393 -3.8530 -3.8530 -3.8138 -3.8138 -3.6988 -3.6988 3.1323 3.1323 5.9581 5.9581 6.2830 6.2830 6.6395 6.6395 6.8193 6.8193 8.0074 8.0074 8.5490 8.5490 8.9231 8.9231 8.9723 8.9723 10.2934 10.2934 13.7222 13.7222 13.8830 13.8830 14.3187 14.3187 14.8773 14.8773 k = 0.5000 0.5000 0.1500 ( 5116 PWs) bands (ev): -46.2988 -46.2988 -22.9992 -22.9992 -22.3643 -22.3643 -22.3312 -22.3312 -6.7483 -6.7483 -6.4895 -6.4895 -6.0234 -6.0234 -5.7627 -5.7627 -5.7303 -5.7303 -3.8473 -3.8473 -3.8075 -3.8075 -3.6974 -3.6974 3.1636 3.1636 5.9565 5.9565 6.2835 6.2835 6.5518 6.5518 6.7329 6.7329 7.9237 7.9237 8.4555 8.4555 9.0148 9.0148 9.0610 9.0610 10.2922 10.2922 13.7087 13.7087 13.8826 13.8826 14.3153 14.3153 14.9323 14.9323 k = 0.5000 0.5000 0.1625 ( 5116 PWs) bands (ev): -46.2988 -46.2988 -22.9997 -22.9997 -22.3642 -22.3642 -22.3325 -22.3325 -6.7412 -6.7412 -6.4974 -6.4974 -6.0222 -6.0222 -5.7558 -5.7558 -5.7211 -5.7211 -3.8412 -3.8412 -3.8009 -3.8009 -3.6957 -3.6957 3.1977 3.1977 5.9547 5.9547 6.2840 6.2840 6.4659 6.4659 6.6482 6.6482 7.8370 7.8370 8.3566 8.3566 9.1050 9.1050 9.1475 9.1475 10.2910 10.2910 13.6978 13.6978 13.8835 13.8835 14.3111 14.3111 14.9889 14.9889 k = 0.5000 0.5000 0.1750 ( 5116 PWs) bands (ev): -46.2987 -46.2987 -23.0002 -23.0002 -22.3641 -22.3641 -22.3339 -22.3339 -6.7340 -6.7340 -6.5055 -6.5055 -6.0206 -6.0206 -5.7484 -5.7484 -5.7116 -5.7116 -3.8349 -3.8349 -3.7940 -3.7940 -3.6939 -3.6939 3.2345 3.2345 5.9526 5.9526 6.2845 6.2845 6.3819 6.3819 6.5655 6.5655 7.7480 7.7480 8.2530 8.2530 9.1930 9.1930 9.2315 9.2315 10.2897 10.2897 13.6896 13.6896 13.8859 13.8859 14.3064 14.3064 15.0465 15.0465 k = 0.5000 0.5000 0.1875 ( 5100 PWs) bands (ev): -46.2987 -46.2987 -23.0007 -23.0007 -22.3640 -22.3640 -22.3353 -22.3353 -6.7268 -6.7268 -6.5137 -6.5137 -6.0187 -6.0187 -5.7406 -5.7406 -5.7018 -5.7018 -3.8283 -3.8283 -3.7871 -3.7871 -3.6919 -3.6919 3.2740 3.2740 5.9503 5.9503 6.2848 6.2848 6.3003 6.3003 6.4849 6.4849 7.6573 7.6573 8.1454 8.1454 9.2785 9.2785 9.3129 9.3129 10.2883 10.2883 13.6844 13.6844 13.8901 13.8901 14.3015 14.3015 15.1046 15.1046 k = 0.5000 0.5000 0.2000 ( 5100 PWs) bands (ev): -46.2987 -46.2987 -23.0012 -23.0012 -22.3639 -22.3639 -22.3368 -22.3368 -6.7198 -6.7198 -6.5220 -6.5220 -6.0165 -6.0165 -5.7324 -5.7324 -5.6920 -5.6920 -3.8214 -3.8214 -3.7800 -3.7800 -3.6897 -3.6897 3.3163 3.3163 5.9477 5.9477 6.2200 6.2200 6.2859 6.2859 6.4065 6.4065 7.5657 7.5657 8.0342 8.0342 9.3611 9.3611 9.3913 9.3913 10.2869 10.2869 13.6820 13.6820 13.8961 13.8961 14.2965 14.2965 15.1630 15.1630 k = 0.5000 0.5000 0.2125 ( 5100 PWs) bands (ev): -46.2986 -46.2986 -23.0018 -23.0018 -22.3638 -22.3638 -22.3383 -22.3383 -6.7128 -6.7128 -6.5303 -6.5303 -6.0139 -6.0139 -5.7237 -5.7237 -5.6820 -5.6820 -3.8144 -3.8144 -3.7729 -3.7729 -3.6872 -3.6872 3.3613 3.3613 5.9448 5.9448 6.1426 6.1426 6.2864 6.2864 6.3305 6.3305 7.4737 7.4737 7.9200 7.9200 9.4407 9.4407 9.4667 9.4667 10.2854 10.2854 13.6826 13.6826 13.9041 13.9041 14.2916 14.2916 15.2212 15.2212 k = 0.5000 0.5000 0.2250 ( 5108 PWs) bands (ev): -46.2986 -46.2986 -23.0023 -23.0023 -22.3637 -22.3637 -22.3398 -22.3398 -6.7062 -6.7062 -6.5386 -6.5386 -6.0110 -6.0110 -5.7147 -5.7147 -5.6721 -5.6721 -3.8072 -3.8072 -3.7658 -3.7658 -3.6845 -3.6845 3.4090 3.4090 5.9415 5.9415 6.0677 6.0677 6.2569 6.2569 6.2870 6.2870 7.3821 7.3821 7.8032 7.8032 9.5169 9.5169 9.5389 9.5389 10.2840 10.2840 13.6861 13.6861 13.9141 13.9141 14.2869 14.2869 15.2790 15.2790 k = 0.5000 0.5000 0.2375 ( 5108 PWs) bands (ev): -46.2985 -46.2985 -23.0029 -23.0029 -22.3636 -22.3636 -22.3414 -22.3414 -6.6998 -6.6998 -6.5469 -6.5469 -6.0079 -6.0079 -5.7052 -5.7052 -5.6622 -5.6622 -3.7999 -3.7999 -3.7590 -3.7590 -3.6814 -3.6814 3.4595 3.4595 5.9377 5.9377 5.9953 5.9953 6.1858 6.1858 6.2876 6.2876 7.2914 7.2914 7.6843 7.6843 9.5895 9.5895 9.6076 9.6076 10.2825 10.2825 13.6925 13.6925 13.9261 13.9261 14.2825 14.2825 15.3361 15.3361 k = 0.5000 0.5000 0.2500 ( 5088 PWs) bands (ev): -46.2985 -46.2985 -23.0035 -23.0035 -22.3635 -22.3635 -22.3429 -22.3429 -6.6937 -6.6937 -6.5550 -6.5550 -6.0045 -6.0045 -5.6955 -5.6955 -5.6524 -5.6524 -3.7926 -3.7926 -3.7523 -3.7523 -3.6780 -3.6780 3.5127 3.5127 5.9256 5.9256 5.9335 5.9335 6.1174 6.1174 6.2883 6.2883 7.2021 7.2021 7.5637 7.5637 9.6585 9.6585 9.6728 9.6728 10.2810 10.2810 13.7017 13.7017 13.9401 13.9401 14.2784 14.2784 15.3924 15.3924 k = 0.5000 0.5000 0.2625 ( 5096 PWs) bands (ev): -46.2984 -46.2984 -23.0041 -23.0041 -22.3634 -22.3634 -22.3445 -22.3445 -6.6880 -6.6880 -6.5629 -6.5629 -6.0009 -6.0009 -5.6854 -5.6854 -5.6427 -5.6427 -3.7852 -3.7852 -3.7461 -3.7461 -3.6742 -3.6742 3.5685 3.5685 5.8587 5.8587 5.9287 5.9287 6.0517 6.0517 6.2889 6.2889 7.1149 7.1149 7.4416 7.4416 9.7237 9.7237 9.7344 9.7344 10.2795 10.2795 13.7135 13.7135 13.9560 13.9560 14.2747 14.2747 15.4476 15.4476 k = 0.5000 0.5000 0.2750 ( 5088 PWs) bands (ev): -46.2984 -46.2984 -23.0046 -23.0046 -22.3634 -22.3634 -22.3460 -22.3460 -6.6827 -6.6827 -6.5707 -6.5707 -5.9971 -5.9971 -5.6751 -5.6751 -5.6333 -5.6333 -3.7779 -3.7779 -3.7402 -3.7402 -3.6701 -3.6701 3.6271 3.6271 5.7946 5.7946 5.9234 5.9234 5.9888 5.9888 6.2895 6.2895 7.0303 7.0303 7.3186 7.3186 9.7849 9.7849 9.7923 9.7923 10.2780 10.2780 13.7278 13.7278 13.9737 13.9737 14.2714 14.2714 15.5016 15.5016 k = 0.5000 0.5000 0.2875 ( 5096 PWs) bands (ev): -46.2984 -46.2984 -23.0052 -23.0052 -22.3633 -22.3633 -22.3475 -22.3475 -6.6779 -6.6779 -6.5782 -6.5782 -5.9932 -5.9932 -5.6645 -5.6645 -5.6241 -5.6241 -3.7707 -3.7707 -3.7347 -3.7347 -3.6656 -3.6656 3.6883 3.6883 5.7334 5.7334 5.9173 5.9173 5.9289 5.9289 6.2901 6.2901 6.9487 6.9487 7.1948 7.1948 9.8421 9.8421 9.8465 9.8465 10.2766 10.2766 13.7443 13.7443 13.9930 13.9930 14.2685 14.2685 15.5541 15.5541 k = 0.5000 0.5000 0.3000 ( 5088 PWs) bands (ev): -46.2983 -46.2983 -23.0058 -23.0058 -22.3632 -22.3632 -22.3490 -22.3490 -6.6734 -6.6734 -6.5854 -6.5854 -5.9893 -5.9893 -5.6539 -5.6539 -5.6152 -5.6152 -3.7636 -3.7636 -3.7298 -3.7298 -3.6607 -3.6607 3.7523 3.7523 5.6753 5.6753 5.8719 5.8719 5.9104 5.9104 6.2908 6.2908 6.8707 6.8707 7.0706 7.0706 9.8953 9.8953 9.8970 9.8970 10.2751 10.2751 13.7627 13.7627 14.0137 14.0137 14.2662 14.2662 15.6050 15.6050 k = 0.5000 0.5000 0.3125 ( 5088 PWs) bands (ev): -46.2983 -46.2983 -23.0063 -23.0063 -22.3631 -22.3631 -22.3504 -22.3504 -6.6694 -6.6694 -6.5924 -6.5924 -5.9854 -5.9854 -5.6431 -5.6431 -5.6066 -5.6066 -3.7567 -3.7567 -3.7253 -3.7253 -3.6556 -3.6556 3.8188 3.8188 5.6202 5.6202 5.8179 5.8179 5.9026 5.9026 6.2914 6.2914 6.7968 6.7968 6.9463 6.9463 9.9437 9.9437 9.9446 9.9446 10.2738 10.2738 13.7827 13.7827 14.0356 14.0356 14.2643 14.2643 15.6540 15.6540 k = 0.5000 0.5000 0.3250 ( 5084 PWs) bands (ev): -46.2982 -46.2982 -23.0069 -23.0069 -22.3630 -22.3630 -22.3518 -22.3518 -6.6658 -6.6658 -6.5990 -6.5990 -5.9815 -5.9815 -5.6324 -5.6324 -5.5984 -5.5984 -3.7500 -3.7500 -3.7213 -3.7213 -3.6503 -3.6503 3.8879 3.8879 5.5683 5.5683 5.7671 5.7671 5.8939 5.8939 6.2919 6.2919 6.7273 6.7273 6.8222 6.8222 9.9868 9.9868 9.9898 9.9898 10.2724 10.2724 13.8039 13.8039 14.0583 14.0583 14.2630 14.2630 15.7011 15.7011 k = 0.5000 0.5000 0.3375 ( 5092 PWs) bands (ev): -46.2982 -46.2982 -23.0074 -23.0074 -22.3629 -22.3629 -22.3532 -22.3532 -6.6626 -6.6626 -6.6052 -6.6052 -5.9777 -5.9777 -5.6218 -5.6218 -5.5907 -5.5907 -3.7435 -3.7435 -3.7177 -3.7177 -3.6449 -3.6449 3.9597 3.9597 5.5196 5.5196 5.7195 5.7195 5.8842 5.8842 6.2925 6.2925 6.6627 6.6627 6.6985 6.6985 10.0262 10.0262 10.0312 10.0312 10.2712 10.2712 13.8259 13.8259 14.0816 14.0816 14.2622 14.2622 15.7460 15.7460 k = 0.5000 0.5000 0.3500 ( 5088 PWs) bands (ev): -46.2982 -46.2982 -23.0079 -23.0079 -22.3628 -22.3628 -22.3544 -22.3544 -6.6597 -6.6597 -6.6111 -6.6111 -5.9741 -5.9741 -5.6113 -5.6113 -5.5833 -5.5833 -3.7373 -3.7373 -3.7145 -3.7145 -3.6395 -3.6395 4.0339 4.0339 5.4741 5.4741 5.6751 5.6751 5.8735 5.8735 6.2930 6.2930 6.5755 6.5755 6.6033 6.6033 10.0621 10.0621 10.0687 10.0687 10.2700 10.2700 13.8482 13.8482 14.1051 14.1051 14.2620 14.2620 15.7885 15.7885 k = 0.5000 0.5000 0.3625 ( 5096 PWs) bands (ev): -46.2981 -46.2981 -23.0084 -23.0084 -22.3628 -22.3628 -22.3556 -22.3556 -6.6573 -6.6573 -6.6166 -6.6166 -5.9706 -5.9706 -5.6012 -5.6012 -5.5765 -5.5765 -3.7315 -3.7315 -3.7117 -3.7117 -3.6342 -3.6342 4.1106 4.1106 5.4320 5.4320 5.6341 5.6341 5.8618 5.8618 6.2935 6.2935 6.4534 6.4534 6.5493 6.5493 10.0945 10.0945 10.1026 10.1026 10.2689 10.2689 13.8704 13.8704 14.1285 14.1285 14.2624 14.2624 15.8286 15.8286 k = 0.5000 0.5000 0.3750 ( 5088 PWs) bands (ev): -46.2981 -46.2981 -23.0088 -23.0088 -22.3627 -22.3627 -22.3567 -22.3567 -6.6551 -6.6551 -6.6216 -6.6216 -5.9674 -5.9674 -5.5915 -5.5915 -5.5701 -5.5701 -3.7261 -3.7261 -3.7092 -3.7092 -3.6291 -3.6291 4.1897 4.1897 5.3931 5.3931 5.5964 5.5964 5.8492 5.8492 6.2937 6.2937 6.3328 6.3328 6.5011 6.5011 10.1236 10.1236 10.1329 10.1329 10.2678 10.2678 13.8921 13.8921 14.1514 14.1514 14.2633 14.2633 15.8659 15.8659 k = 0.5000 0.5000 0.3875 ( 5088 PWs) bands (ev): -46.2981 -46.2981 -23.0092 -23.0092 -22.3626 -22.3626 -22.3577 -22.3577 -6.6533 -6.6533 -6.6263 -6.6263 -5.9644 -5.9644 -5.5823 -5.5823 -5.5643 -5.5643 -3.7210 -3.7210 -3.7071 -3.7071 -3.6242 -3.6242 4.2710 4.2710 5.3575 5.3575 5.5622 5.5622 5.8359 5.8359 6.2131 6.2131 6.2945 6.2945 6.4585 6.4585 10.1494 10.1494 10.1598 10.1598 10.2669 10.2669 13.9127 13.9127 14.1735 14.1735 14.2648 14.2648 15.9004 15.9004 k = 0.5000 0.5000 0.4000 ( 5072 PWs) bands (ev): -46.2980 -46.2980 -23.0096 -23.0096 -22.3626 -22.3626 -22.3587 -22.3587 -6.6517 -6.6517 -6.6305 -6.6305 -5.9616 -5.9616 -5.5738 -5.5738 -5.5590 -5.5590 -3.7164 -3.7164 -3.7051 -3.7051 -3.6196 -3.6196 4.3545 4.3545 5.3252 5.3252 5.5314 5.5314 5.8223 5.8223 6.0958 6.0958 6.2949 6.2949 6.4215 6.4215 10.1720 10.1720 10.1833 10.1833 10.2662 10.2662 13.9320 13.9320 14.1943 14.1943 14.2668 14.2668 15.9319 15.9319 k = 0.5000 0.5000 0.4125 ( 5072 PWs) bands (ev): -46.2980 -46.2980 -23.0100 -23.0100 -22.3625 -22.3625 -22.3595 -22.3595 -6.6504 -6.6504 -6.6342 -6.6342 -5.9592 -5.9592 -5.5660 -5.5660 -5.5543 -5.5543 -3.7123 -3.7123 -3.7035 -3.7035 -3.6155 -3.6155 4.4400 4.4400 5.2959 5.2959 5.5042 5.5042 5.8086 5.8086 5.9808 5.9808 6.2952 6.2952 6.3900 6.3900 10.1916 10.1916 10.2038 10.2038 10.2656 10.2656 13.9495 13.9495 14.2136 14.2136 14.2691 14.2691 15.9601 15.9601 k = 0.5000 0.5000 0.4250 ( 5084 PWs) bands (ev): -46.2980 -46.2980 -23.0103 -23.0103 -22.3625 -22.3625 -22.3602 -22.3602 -6.6493 -6.6493 -6.6374 -6.6374 -5.9570 -5.9570 -5.5590 -5.5590 -5.5502 -5.5502 -3.7086 -3.7086 -3.7021 -3.7021 -3.6117 -3.6117 4.5271 4.5271 5.2696 5.2696 5.4805 5.4805 5.7954 5.7954 5.8687 5.8687 6.2955 6.2955 6.3637 6.3637 10.2082 10.2082 10.2212 10.2212 10.2652 10.2652 13.9650 13.9650 14.2311 14.2311 14.2718 14.2718 15.9849 15.9849 k = 0.5000 0.5000 0.4375 ( 5080 PWs) bands (ev): -46.2980 -46.2980 -23.0105 -23.0105 -22.3624 -22.3624 -22.3609 -22.3609 -6.6484 -6.6484 -6.6402 -6.6402 -5.9552 -5.9552 -5.5529 -5.5529 -5.5467 -5.5467 -3.7055 -3.7055 -3.7009 -3.7009 -3.6085 -3.6085 4.6155 4.6155 5.2457 5.2457 5.4604 5.4604 5.7607 5.7607 5.7832 5.7832 6.2958 6.2958 6.3422 6.3422 10.2219 10.2219 10.2357 10.2357 10.2650 10.2650 13.9783 13.9783 14.2463 14.2463 14.2745 14.2745 16.0062 16.0062 k = 0.5000 0.5000 0.4500 ( 5072 PWs) bands (ev): -46.2980 -46.2980 -23.0107 -23.0107 -22.3624 -22.3624 -22.3614 -22.3614 -6.6477 -6.6477 -6.6425 -6.6425 -5.9537 -5.9537 -5.5479 -5.5479 -5.5438 -5.5438 -3.7029 -3.7029 -3.6999 -3.6999 -3.6058 -3.6058 4.7044 4.7044 5.2233 5.2233 5.4439 5.4439 5.6584 5.6584 5.7724 5.7724 6.2960 6.2960 6.3252 6.3252 10.2327 10.2327 10.2474 10.2474 10.2652 10.2652 13.9892 13.9892 14.2592 14.2592 14.2772 14.2772 16.0238 16.0238 k = 0.5000 0.5000 0.4625 ( 5048 PWs) bands (ev): -46.2979 -46.2979 -23.0109 -23.0109 -22.3624 -22.3624 -22.3618 -22.3618 -6.6472 -6.6472 -6.6442 -6.6442 -5.9525 -5.9525 -5.5438 -5.5438 -5.5415 -5.5415 -3.7009 -3.7009 -3.6992 -3.6992 -3.6037 -3.6037 4.7925 4.7925 5.2005 5.2005 5.4310 5.4310 5.5652 5.5652 5.7635 5.7635 6.2962 6.2962 6.3123 6.3123 10.2405 10.2405 10.2564 10.2564 10.2658 10.2658 13.9977 13.9977 14.2695 14.2695 14.2795 14.2795 16.0377 16.0377 k = 0.5000 0.5000 0.4750 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0110 -23.0110 -22.3623 -22.3623 -22.3621 -22.3621 -6.6468 -6.6468 -6.6455 -6.6455 -5.9517 -5.9517 -5.5409 -5.5409 -5.5399 -5.5399 -3.6994 -3.6994 -3.6987 -3.6987 -3.6022 -3.6022 4.8770 4.8770 5.1742 5.1742 5.4218 5.4218 5.4870 5.4870 5.7569 5.7569 6.2963 6.2963 6.3034 6.3034 10.2456 10.2456 10.2627 10.2627 10.2666 10.2666 14.0038 14.0038 14.2769 14.2769 14.2813 14.2813 16.0476 16.0476 k = 0.5000 0.5000 0.4875 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0111 -23.0111 -22.3623 -22.3623 -22.3623 -22.3623 -6.6466 -6.6466 -6.6463 -6.6463 -5.9511 -5.9511 -5.5392 -5.5392 -5.5389 -5.5389 -3.6986 -3.6986 -3.6984 -3.6984 -3.6012 -3.6012 4.9504 4.9504 5.1423 5.1423 5.4163 5.4163 5.4336 5.4336 5.7528 5.7528 6.2964 6.2964 6.2981 6.2981 10.2483 10.2483 10.2666 10.2666 10.2675 10.2675 14.0074 14.0074 14.2814 14.2814 14.2825 14.2825 16.0536 16.0536 k = 0.5000 0.5000 0.5000 ( 5040 PWs) bands (ev): -46.2979 -46.2979 -23.0111 -23.0111 -22.3623 -22.3623 -22.3623 -22.3623 -6.6465 -6.6465 -6.6465 -6.6465 -5.9510 -5.9510 -5.5386 -5.5386 -5.5386 -5.5386 -3.6983 -3.6983 -3.6983 -3.6983 -3.6009 -3.6009 4.9865 4.9865 5.1213 5.1213 5.4145 5.4145 5.4145 5.4145 5.7514 5.7514 6.2964 6.2964 6.2964 6.2964 10.2492 10.2492 10.2678 10.2678 10.2678 10.2678 14.0086 14.0086 14.2829 14.2829 14.2829 14.2829 16.0556 16.0556 Writing output data file TiPbO3.save init_run : 0.14s CPU 0.28s WALL ( 1 calls) electrons : 246.50s CPU 250.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 246.49s CPU 250.03s 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 : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 307 calls) cegterg : 235.61s CPU 238.66s WALL ( 622 calls) Called by sum_band: Called by *egterg: h_psi : 139.11s CPU 141.53s WALL ( 10578 calls) s_psi : 4.21s CPU 4.30s WALL ( 10578 calls) g_psi : 0.47s CPU 0.44s WALL ( 9649 calls) cdiaghg : 71.22s CPU 72.13s WALL ( 9956 calls) cegterg:over : 10.71s CPU 10.52s WALL ( 9649 calls) cegterg:upda : 9.00s CPU 8.98s WALL ( 9649 calls) cegterg:last : 5.28s CPU 5.33s WALL ( 1868 calls) cdiaghg:chol : 4.07s CPU 4.09s WALL ( 9956 calls) cdiaghg:inve : 2.69s CPU 2.72s WALL ( 9956 calls) cdiaghg:para : 4.45s CPU 4.32s WALL ( 19912 calls) Called by h_psi: h_psi:vloc : 125.80s CPU 127.84s WALL ( 10578 calls) h_psi:vnl : 12.89s CPU 13.29s WALL ( 10578 calls) add_vuspsi : 6.16s CPU 6.46s WALL ( 10578 calls) General routines calbec : 6.71s CPU 6.80s WALL ( 10578 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.68s CPU 121.42s WALL ( 1161340 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.24s WALL ( 614 calls) Parallel routines fft_scatter : 39.70s CPU 40.44s WALL ( 1161363 calls) PWSCF : 4m22.62s CPU 4m39.92s WALL This run was terminated on: 21: 3: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=