Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:19 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: ./SrTiO3.save/ 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 39 38 11 1099 1072 171 Max 40 39 12 1102 1088 176 Sum 1405 1373 405 39607 38911 6187 bravais-lattice index = 14 lattice parameter (alat) = 7.3799 a.u. unit-cell volume = 401.9324 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 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)= 7.379909 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 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 PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) Sr 10.00 87.62000 Sr( 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= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 Dense grid: 39607 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 38911 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 292, 48) NL pseudopotentials 0.25 Mb ( 146, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1101) G-vector shells 0.00 Mb ( 277) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 292, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrTiO3.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 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 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 10.9 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.7 secs Computing kpt #: 21 total cpu time spent up to now is 14.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.1 secs Computing kpt #: 23 total cpu time spent up to now is 15.8 secs Computing kpt #: 24 total cpu time spent up to now is 16.3 secs Computing kpt #: 25 total cpu time spent up to now is 17.0 secs Computing kpt #: 26 total cpu time spent up to now is 17.5 secs Computing kpt #: 27 total cpu time spent up to now is 18.1 secs Computing kpt #: 28 total cpu time spent up to now is 18.6 secs Computing kpt #: 29 total cpu time spent up to now is 19.2 secs Computing kpt #: 30 total cpu time spent up to now is 19.7 secs Computing kpt #: 31 total cpu time spent up to now is 20.2 secs Computing kpt #: 32 total cpu time spent up to now is 20.8 secs Computing kpt #: 33 total cpu time spent up to now is 21.3 secs Computing kpt #: 34 total cpu time spent up to now is 21.9 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 22.9 secs Computing kpt #: 37 total cpu time spent up to now is 23.4 secs Computing kpt #: 38 total cpu time spent up to now is 23.9 secs Computing kpt #: 39 total cpu time spent up to now is 24.4 secs Computing kpt #: 40 total cpu time spent up to now is 25.0 secs Computing kpt #: 41 total cpu time spent up to now is 25.6 secs Computing kpt #: 42 total cpu time spent up to now is 26.2 secs Computing kpt #: 43 total cpu time spent up to now is 26.7 secs Computing kpt #: 44 total cpu time spent up to now is 27.2 secs Computing kpt #: 45 total cpu time spent up to now is 27.7 secs Computing kpt #: 46 total cpu time spent up to now is 28.2 secs Computing kpt #: 47 total cpu time spent up to now is 28.7 secs Computing kpt #: 48 total cpu time spent up to now is 29.2 secs Computing kpt #: 49 total cpu time spent up to now is 29.8 secs Computing kpt #: 50 total cpu time spent up to now is 30.3 secs Computing kpt #: 51 total cpu time spent up to now is 30.8 secs Computing kpt #: 52 total cpu time spent up to now is 31.5 secs Computing kpt #: 53 total cpu time spent up to now is 32.2 secs Computing kpt #: 54 total cpu time spent up to now is 32.8 secs Computing kpt #: 55 total cpu time spent up to now is 33.5 secs Computing kpt #: 56 total cpu time spent up to now is 34.1 secs Computing kpt #: 57 total cpu time spent up to now is 34.8 secs Computing kpt #: 58 total cpu time spent up to now is 35.6 secs Computing kpt #: 59 total cpu time spent up to now is 36.1 secs Computing kpt #: 60 total cpu time spent up to now is 36.7 secs Computing kpt #: 61 total cpu time spent up to now is 37.3 secs Computing kpt #: 62 total cpu time spent up to now is 38.0 secs Computing kpt #: 63 total cpu time spent up to now is 38.6 secs Computing kpt #: 64 total cpu time spent up to now is 39.1 secs Computing kpt #: 65 total cpu time spent up to now is 39.6 secs Computing kpt #: 66 total cpu time spent up to now is 40.2 secs Computing kpt #: 67 total cpu time spent up to now is 40.7 secs Computing kpt #: 68 total cpu time spent up to now is 41.2 secs Computing kpt #: 69 total cpu time spent up to now is 41.7 secs Computing kpt #: 70 total cpu time spent up to now is 42.3 secs Computing kpt #: 71 total cpu time spent up to now is 42.8 secs Computing kpt #: 72 total cpu time spent up to now is 43.3 secs Computing kpt #: 73 total cpu time spent up to now is 43.9 secs Computing kpt #: 74 total cpu time spent up to now is 44.4 secs Computing kpt #: 75 total cpu time spent up to now is 44.9 secs Computing kpt #: 76 total cpu time spent up to now is 45.5 secs Computing kpt #: 77 total cpu time spent up to now is 46.0 secs Computing kpt #: 78 total cpu time spent up to now is 46.6 secs Computing kpt #: 79 total cpu time spent up to now is 47.1 secs Computing kpt #: 80 total cpu time spent up to now is 47.6 secs Computing kpt #: 81 total cpu time spent up to now is 48.2 secs Computing kpt #: 82 total cpu time spent up to now is 48.7 secs Computing kpt #: 83 total cpu time spent up to now is 49.2 secs Computing kpt #: 84 total cpu time spent up to now is 49.7 secs Computing kpt #: 85 total cpu time spent up to now is 50.2 secs Computing kpt #: 86 total cpu time spent up to now is 50.7 secs Computing kpt #: 87 total cpu time spent up to now is 51.3 secs Computing kpt #: 88 total cpu time spent up to now is 51.8 secs Computing kpt #: 89 total cpu time spent up to now is 52.3 secs Computing kpt #: 90 total cpu time spent up to now is 52.9 secs Computing kpt #: 91 total cpu time spent up to now is 53.4 secs Computing kpt #: 92 total cpu time spent up to now is 53.9 secs Computing kpt #: 93 total cpu time spent up to now is 54.4 secs Computing kpt #: 94 total cpu time spent up to now is 55.0 secs Computing kpt #: 95 total cpu time spent up to now is 55.5 secs Computing kpt #: 96 total cpu time spent up to now is 56.0 secs Computing kpt #: 97 total cpu time spent up to now is 56.6 secs Computing kpt #: 98 total cpu time spent up to now is 57.1 secs Computing kpt #: 99 total cpu time spent up to now is 57.6 secs Computing kpt #: 100 total cpu time spent up to now is 58.2 secs Computing kpt #: 101 total cpu time spent up to now is 58.7 secs Computing kpt #: 102 total cpu time spent up to now is 59.2 secs Computing kpt #: 103 total cpu time spent up to now is 59.8 secs Computing kpt #: 104 total cpu time spent up to now is 60.3 secs Computing kpt #: 105 total cpu time spent up to now is 60.8 secs Computing kpt #: 106 total cpu time spent up to now is 61.4 secs Computing kpt #: 107 total cpu time spent up to now is 61.9 secs Computing kpt #: 108 total cpu time spent up to now is 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secs Computing kpt #: 155 total cpu time spent up to now is 90.1 secs Computing kpt #: 156 total cpu time spent up to now is 90.7 secs Computing kpt #: 157 total cpu time spent up to now is 91.2 secs Computing kpt #: 158 total cpu time spent up to now is 91.8 secs Computing kpt #: 159 total cpu time spent up to now is 92.5 secs Computing kpt #: 160 total cpu time spent up to now is 93.1 secs Computing kpt #: 161 total cpu time spent up to now is 93.8 secs Computing kpt #: 162 total cpu time spent up to now is 94.4 secs Computing kpt #: 163 total cpu time spent up to now is 95.1 secs Computing kpt #: 164 total cpu time spent up to now is 96.0 secs Computing kpt #: 165 total cpu time spent up to now is 96.9 secs Computing kpt #: 166 total cpu time spent up to now is 97.7 secs Computing kpt #: 167 total cpu time spent up to now is 98.6 secs Computing kpt #: 168 total cpu time spent up to now is 99.4 secs Computing kpt #: 169 total cpu time spent up to now is 100.3 secs Computing kpt #: 170 total cpu time spent up to now is 101.1 secs Computing kpt #: 171 total cpu time spent up to now is 102.0 secs Computing kpt #: 172 total cpu time spent up to now is 102.8 secs Computing kpt #: 173 total cpu time spent up to now is 103.7 secs Computing kpt #: 174 total cpu time spent up to now is 104.9 secs Computing kpt #: 175 total cpu time spent up to now is 105.7 secs Computing kpt #: 176 total cpu time spent up to now is 106.7 secs Computing kpt #: 177 total cpu time spent up to now is 107.5 secs Computing kpt #: 178 total cpu time spent up to now is 108.3 secs Computing kpt #: 179 total cpu time spent up to now is 109.3 secs Computing kpt #: 180 total cpu time spent up to now is 110.3 secs Computing kpt #: 181 total cpu time spent up to now is 111.1 secs Computing kpt #: 182 total cpu time spent up to now is 112.1 secs Computing kpt #: 183 total cpu time spent up to now is 113.1 secs Computing kpt #: 184 total cpu time spent up to now is 113.9 secs Computing kpt #: 185 total cpu time spent up to now is 114.8 secs Computing kpt #: 186 total cpu time spent up to now is 115.7 secs Computing kpt #: 187 total cpu time spent up to now is 116.5 secs Computing kpt #: 188 total cpu time spent up to now is 117.3 secs Computing kpt #: 189 total cpu time spent up to now is 118.2 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.8 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.3 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.8 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.4 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.9 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.4 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.0 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.5 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.0 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.5 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.0 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.5 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.0 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.5 secs Computing kpt #: 204 total cpu time spent up to now is 140.2 secs Computing kpt #: 205 total cpu time spent up to now is 140.9 secs Computing kpt #: 206 total cpu time spent up to now is 141.5 secs Computing kpt #: 207 total cpu time spent up to now is 142.2 secs Computing kpt #: 208 total cpu time spent up to now is 142.9 secs Computing kpt #: 209 total cpu time spent up to now is 143.5 secs Computing kpt #: 210 total cpu time spent up to now is 144.2 secs Computing kpt #: 211 total cpu time spent up to now is 144.8 secs Computing kpt #: 212 total cpu time spent up to now is 145.3 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.7 secs Computing kpt #: 214 total cpu time spent up to now is 147.7 secs Computing kpt #: 215 total cpu time spent up to now is 148.3 secs Computing kpt #: 216 total cpu time spent up to now is 149.0 secs Computing kpt #: 217 total cpu time spent up to now is 149.6 secs Computing kpt #: 218 total cpu time spent up to now is 150.3 secs Computing kpt #: 219 total cpu time spent up to now is 150.9 secs Computing kpt #: 220 total cpu time spent up to now is 151.6 secs Computing kpt #: 221 total cpu time spent up to now is 152.2 secs Computing kpt #: 222 total cpu time spent up to now is 152.9 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.3 secs Computing kpt #: 224 total cpu time spent up to now is 154.9 secs Computing kpt #: 225 total cpu time spent up to now is 156.2 secs Computing kpt #: 226 total cpu time spent up to now is 157.3 secs Computing kpt #: 227 total cpu time spent up to now is 158.6 secs Computing kpt #: 228 total cpu time spent up to now is 159.6 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.0 secs Computing kpt #: 230 total cpu time spent up to now is 162.2 secs Computing kpt #: 231 total cpu time spent up to now is 163.3 secs Computing kpt #: 232 total cpu time spent up to now is 164.4 secs Computing kpt #: 233 total cpu time spent up to now is 165.4 secs Computing kpt #: 234 total cpu time spent up to now is 166.4 secs Computing kpt #: 235 total cpu time spent up to now is 167.4 secs Computing kpt #: 236 total cpu time spent up to now is 168.4 secs Computing kpt #: 237 total cpu time spent up to now is 169.4 secs Computing kpt #: 238 total cpu time spent up to now is 170.3 secs Computing kpt #: 239 total cpu time spent up to now is 171.2 secs Computing kpt #: 240 total cpu time spent up to now is 172.0 secs Computing kpt #: 241 total cpu time spent up to now is 172.9 secs Computing kpt #: 242 total cpu time spent up to now is 173.7 secs Computing kpt #: 243 total cpu time spent up to now is 174.5 secs Computing kpt #: 244 total cpu time spent up to now is 175.5 secs Computing kpt #: 245 total cpu time spent up to now is 176.1 secs Computing kpt #: 246 total cpu time spent up to now is 176.8 secs Computing kpt #: 247 total cpu time spent up to now is 177.4 secs Computing kpt #: 248 total cpu time spent up to now is 178.0 secs Computing kpt #: 249 total cpu time spent up to now is 178.6 secs Computing kpt #: 250 total cpu time spent up to now is 179.3 secs Computing kpt #: 251 total cpu time spent up to now is 179.9 secs Computing kpt #: 252 total cpu time spent up to now is 180.4 secs Computing kpt #: 253 total cpu time spent up to now is 181.0 secs Computing kpt #: 254 total cpu time spent up to now is 181.6 secs Computing kpt #: 255 total cpu time spent up to now is 182.3 secs Computing kpt #: 256 total cpu time spent up to now is 182.8 secs Computing kpt #: 257 total cpu time spent up to now is 183.5 secs Computing kpt #: 258 total cpu time spent up to now is 184.1 secs Computing kpt #: 259 total cpu time spent up to now is 184.8 secs Computing kpt #: 260 total cpu time spent up to now is 185.3 secs Computing kpt #: 261 total cpu time spent up to now is 185.9 secs Computing kpt #: 262 total cpu time spent up to now is 186.4 secs Computing kpt #: 263 total cpu time spent up to now is 187.0 secs Computing kpt #: 264 total cpu time spent up to now is 187.6 secs Computing kpt #: 265 total cpu time spent up to now is 188.1 secs Computing kpt #: 266 total cpu time spent up to now is 188.6 secs Computing kpt #: 267 total cpu time spent up to now is 189.2 secs Computing kpt #: 268 total cpu time spent up to now is 189.7 secs Computing kpt #: 269 total cpu time spent up to now is 190.2 secs Computing kpt #: 270 total cpu time spent up to now is 190.7 secs Computing kpt #: 271 total cpu time spent up to now is 191.2 secs Computing kpt #: 272 total cpu time spent up to now is 191.7 secs Computing kpt #: 273 total cpu time spent up to now is 192.2 secs Computing kpt #: 274 total cpu time spent up to now is 192.7 secs Computing kpt #: 275 total cpu time spent up to now is 193.2 secs Computing kpt #: 276 total cpu time spent up to now is 193.7 secs Computing kpt #: 277 total cpu time spent up to now is 194.2 secs Computing kpt #: 278 total cpu time spent up to now is 194.7 secs Computing kpt #: 279 total cpu time spent up to now is 195.3 secs Computing kpt #: 280 total cpu time spent up to now is 195.8 secs Computing kpt #: 281 total cpu time spent up to now is 196.3 secs Computing kpt #: 282 total cpu time spent up to now is 196.8 secs Computing kpt #: 283 total cpu time spent up to now is 197.4 secs Computing kpt #: 284 total cpu time spent up to now is 197.9 secs Computing kpt #: 285 total cpu time spent up to now is 198.4 secs Computing kpt #: 286 total cpu time spent up to now is 199.0 secs Computing kpt #: 287 total cpu time spent up to now is 199.5 secs Computing kpt #: 288 total cpu time spent up to now is 200.0 secs Computing kpt #: 289 total cpu time spent up to now is 200.6 secs Computing kpt #: 290 total cpu time spent up to now is 201.2 secs Computing kpt #: 291 total cpu time spent up to now is 201.7 secs Computing kpt #: 292 total cpu time spent up to now is 202.3 secs Computing kpt #: 293 total cpu time spent up to now is 202.9 secs Computing kpt #: 294 total cpu time spent up to now is 203.5 secs Computing kpt #: 295 total cpu time spent up to now is 204.1 secs Computing kpt #: 296 total cpu time spent up to now is 204.8 secs Computing kpt #: 297 total cpu time spent up to now is 205.4 secs Computing kpt #: 298 total cpu time spent up to now is 206.0 secs Computing kpt #: 299 total cpu time spent up to now is 206.6 secs Computing kpt #: 300 total cpu time spent up to now is 207.3 secs Computing kpt #: 301 total cpu time spent up to now is 207.9 secs Computing kpt #: 302 total cpu time spent up to now is 208.5 secs Computing kpt #: 303 total cpu time spent up to now is 209.1 secs Computing kpt #: 304 total cpu time spent up to now is 209.7 secs Computing kpt #: 305 total cpu time spent up to now is 210.3 secs Computing kpt #: 306 total cpu time spent up to now is 211.0 secs Computing kpt #: 307 total cpu time spent up to now is 211.6 secs Computing kpt #: 308 total cpu time spent up to now is 212.2 secs Computing kpt #: 309 total cpu time spent up to now is 212.8 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.2 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.6 secs Computing kpt #: 312 total cpu time spent up to now is 216.2 secs Computing kpt #: 313 total cpu time spent up to now is 216.8 secs ethr = 2.50E-08, avg # of iterations = 33.0 total cpu time spent up to now is 216.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -46.2738 -46.2738 -22.9798 -22.9798 -22.6123 -22.6123 -22.3278 -22.3278 -22.3278 -22.3278 -7.3206 -7.3206 -6.3389 -6.3389 -6.3389 -6.3389 -5.3875 -5.3875 -4.2534 -4.2534 -4.2534 -4.2534 7.2218 7.2218 7.3078 7.3078 7.3078 7.3078 8.9222 8.9222 8.9222 8.9222 8.9383 8.9383 9.7097 9.7097 9.7738 9.7738 9.7738 9.7738 12.0148 12.0148 12.0148 12.0148 12.0430 12.0430 14.5312 14.5312 k = 0.0000 0.0122-0.0000 ( 4945 PWs) bands (ev): -46.2738 -46.2738 -22.9798 -22.9798 -22.6123 -22.6123 -22.3278 -22.3278 -22.3278 -22.3278 -7.3206 -7.3206 -6.3391 -6.3391 -6.3389 -6.3389 -5.3869 -5.3869 -4.2533 -4.2533 -4.2527 -4.2527 7.2211 7.2211 7.3064 7.3064 7.3077 7.3077 8.9201 8.9201 8.9206 8.9206 8.9365 8.9365 9.7072 9.7072 9.7699 9.7699 9.7726 9.7726 12.0162 12.0162 12.0186 12.0186 12.0457 12.0457 14.5313 14.5313 k = 0.0000 0.0244-0.0000 ( 4929 PWs) bands (ev): -46.2738 -46.2738 -22.9800 -22.9800 -22.6123 -22.6123 -22.3279 -22.3279 -22.3278 -22.3278 -7.3207 -7.3207 -6.3398 -6.3398 -6.3387 -6.3387 -5.3852 -5.3852 -4.2531 -4.2531 -4.2507 -4.2507 7.2189 7.2189 7.3023 7.3023 7.3073 7.3073 8.9139 8.9139 8.9156 8.9156 8.9310 8.9310 9.6987 9.6987 9.7590 9.7590 9.7690 9.7690 12.0192 12.0192 12.0299 12.0299 12.0547 12.0547 14.5314 14.5314 k = 0.0000 0.0366-0.0000 ( 4897 PWs) bands (ev): -46.2738 -46.2738 -22.9802 -22.9802 -22.6123 -22.6123 -22.3280 -22.3280 -22.3278 -22.3278 -7.3207 -7.3207 -6.3409 -6.3409 -6.3384 -6.3384 -5.3823 -5.3823 -4.2527 -4.2527 -4.2474 -4.2474 7.2148 7.2148 7.2959 7.2959 7.3067 7.3067 8.9037 8.9037 8.9071 8.9071 8.9222 8.9222 9.6823 9.6823 9.7436 9.7436 9.7631 9.7631 12.0225 12.0225 12.0486 12.0486 12.0713 12.0713 14.5316 14.5316 k = 0.0000 0.0488-0.0000 ( 4897 PWs) bands (ev): -46.2738 -46.2738 -22.9805 -22.9805 -22.6123 -22.6123 -22.3282 -22.3282 -22.3278 -22.3278 -7.3209 -7.3209 -6.3423 -6.3423 -6.3380 -6.3380 -5.3784 -5.3784 -4.2522 -4.2522 -4.2428 -4.2428 7.2081 7.2081 7.2879 7.2879 7.3058 7.3058 8.8894 8.8894 8.8948 8.8948 8.9106 8.9106 9.6549 9.6549 9.7275 9.7275 9.7552 9.7552 12.0254 12.0254 12.0742 12.0742 12.0957 12.0957 14.5319 14.5319 k = 0.0000 0.0610-0.0000 ( 4889 PWs) bands (ev): -46.2738 -46.2738 -22.9809 -22.9809 -22.6122 -22.6122 -22.3284 -22.3284 -22.3277 -22.3277 -7.3212 -7.3212 -6.3438 -6.3438 -6.3375 -6.3375 -5.3735 -5.3735 -4.2516 -4.2516 -4.2369 -4.2369 7.1980 7.1980 7.2793 7.2793 7.3047 7.3047 8.8713 8.8713 8.8782 8.8782 8.8968 8.8968 9.6159 9.6159 9.7124 9.7124 9.7455 9.7455 12.0283 12.0283 12.1065 12.1065 12.1273 12.1273 14.5323 14.5323 k = 0.0000 0.0732-0.0000 ( 4885 PWs) bands (ev): -46.2738 -46.2738 -22.9814 -22.9814 -22.6122 -22.6122 -22.3287 -22.3287 -22.3277 -22.3277 -7.3217 -7.3217 -6.3452 -6.3452 -6.3369 -6.3369 -5.3677 -5.3677 -4.2508 -4.2508 -4.2298 -4.2298 7.1835 7.1835 7.2712 7.2712 7.3034 7.3034 8.8494 8.8494 8.8575 8.8575 8.8809 8.8809 9.5665 9.5665 9.6979 9.6979 9.7342 9.7342 12.0314 12.0314 12.1450 12.1450 12.1654 12.1654 14.5327 14.5327 k = 0.0000 0.0854-0.0000 ( 4877 PWs) bands (ev): -46.2737 -46.2737 -22.9820 -22.9820 -22.6121 -22.6121 -22.3290 -22.3290 -22.3276 -22.3276 -7.3225 -7.3225 -6.3465 -6.3465 -6.3361 -6.3361 -5.3612 -5.3612 -4.2498 -4.2498 -4.2216 -4.2216 7.1640 7.1640 7.2642 7.2642 7.3018 7.3018 8.8241 8.8241 8.8329 8.8329 8.8630 8.8630 9.5086 9.5086 9.6835 9.6835 9.7218 9.7218 12.0347 12.0347 12.1891 12.1891 12.2093 12.2093 14.5332 14.5332 k = 0.0000 0.0976-0.0000 ( 4869 PWs) bands (ev): -46.2737 -46.2737 -22.9827 -22.9827 -22.6121 -22.6121 -22.3293 -22.3293 -22.3275 -22.3275 -7.3237 -7.3237 -6.3474 -6.3474 -6.3353 -6.3353 -5.3540 -5.3540 -4.2488 -4.2488 -4.2122 -4.2122 7.1395 7.1395 7.2585 7.2585 7.3000 7.3000 8.7954 8.7954 8.8049 8.8049 8.8432 8.8432 9.4438 9.4438 9.6690 9.6690 9.7084 9.7084 12.0383 12.0383 12.2383 12.2383 12.2584 12.2584 14.5337 14.5337 k = 0.0000 0.1098-0.0000 ( 4869 PWs) bands (ev): -46.2737 -46.2737 -22.9834 -22.9834 -22.6120 -22.6120 -22.3297 -22.3297 -22.3275 -22.3275 -7.3254 -7.3254 -6.3477 -6.3477 -6.3344 -6.3344 -5.3462 -5.3462 -4.2476 -4.2476 -4.2017 -4.2017 7.1104 7.1104 7.2539 7.2539 7.2981 7.2981 8.7638 8.7638 8.7738 8.7738 8.8215 8.8215 9.3731 9.3731 9.6541 9.6541 9.6943 9.6943 12.0423 12.0423 12.2921 12.2921 12.3121 12.3121 14.5343 14.5343 k = 0.0000 0.1220-0.0000 ( 4857 PWs) bands (ev): -46.2736 -46.2736 -22.9842 -22.9842 -22.6119 -22.6119 -22.3301 -22.3301 -22.3274 -22.3274 -7.3277 -7.3277 -6.3472 -6.3472 -6.3334 -6.3334 -5.3380 -5.3380 -4.2463 -4.2463 -4.1902 -4.1902 7.0770 7.0770 7.2501 7.2501 7.2960 7.2960 8.7294 8.7294 8.7399 8.7399 8.7981 8.7981 9.2979 9.2979 9.6391 9.6391 9.6797 9.6797 12.0466 12.0466 12.3498 12.3498 12.3699 12.3699 14.5349 14.5349 k = 0.0000 0.1341-0.0000 ( 4865 PWs) bands (ev): -46.2736 -46.2736 -22.9851 -22.9851 -22.6119 -22.6119 -22.3305 -22.3305 -22.3273 -22.3273 -7.3306 -7.3306 -6.3457 -6.3457 -6.3323 -6.3323 -5.3295 -5.3295 -4.2449 -4.2449 -4.1778 -4.1778 7.0400 7.0400 7.2469 7.2469 7.2937 7.2937 8.6927 8.6927 8.7036 8.7036 8.7730 8.7730 9.2190 9.2190 9.6240 9.6240 9.6649 9.6649 12.0512 12.0512 12.4110 12.4110 12.4312 12.4312 14.5355 14.5355 k = 0.0000 0.1463-0.0000 ( 4865 PWs) bands (ev): -46.2735 -46.2735 -22.9861 -22.9861 -22.6118 -22.6118 -22.3310 -22.3310 -22.3272 -22.3272 -7.3343 -7.3343 -6.3431 -6.3431 -6.3312 -6.3312 -5.3208 -5.3208 -4.2434 -4.2434 -4.1646 -4.1646 6.9995 6.9995 7.2441 7.2441 7.2914 7.2914 8.6539 8.6539 8.6653 8.6653 8.7465 8.7465 9.1375 9.1375 9.6089 9.6089 9.6499 9.6499 12.0562 12.0562 12.4752 12.4752 12.4955 12.4955 14.5360 14.5360 k = 0.0000 0.1585-0.0000 ( 4869 PWs) bands (ev): -46.2735 -46.2735 -22.9871 -22.9871 -22.6117 -22.6117 -22.3315 -22.3315 -22.3271 -22.3271 -7.3387 -7.3387 -6.3393 -6.3393 -6.3299 -6.3299 -5.3120 -5.3120 -4.2418 -4.2418 -4.1506 -4.1506 6.9561 6.9561 7.2415 7.2415 7.2889 7.2889 8.6133 8.6133 8.6252 8.6252 8.7189 8.7189 9.0540 9.0540 9.5940 9.5940 9.6350 9.6350 12.0614 12.0614 12.5418 12.5418 12.5622 12.5622 14.5366 14.5366 k = 0.0000 0.1707-0.0000 ( 4865 PWs) bands (ev): -46.2734 -46.2734 -22.9882 -22.9882 -22.6117 -22.6117 -22.3319 -22.3319 -22.3270 -22.3270 -7.3440 -7.3440 -6.3340 -6.3340 -6.3286 -6.3286 -5.3032 -5.3032 -4.2401 -4.2401 -4.1360 -4.1360 6.9098 6.9098 7.2391 7.2391 7.2864 7.2864 8.5713 8.5713 8.5838 8.5838 8.6901 8.6901 8.9695 8.9695 9.5792 9.5792 9.6202 9.6202 12.0669 12.0669 12.6104 12.6104 12.6310 12.6310 14.5372 14.5372 k = 0.0000 0.1829-0.0000 ( 4865 PWs) bands (ev): -46.2734 -46.2734 -22.9893 -22.9893 -22.6116 -22.6116 -22.3324 -22.3324 -22.3269 -22.3269 -7.3501 -7.3501 -6.3274 -6.3274 -6.3273 -6.3273 -5.2944 -5.2944 -4.2384 -4.2384 -4.1208 -4.1208 6.8612 6.8612 7.2370 7.2370 7.2838 7.2838 8.5282 8.5282 8.5414 8.5414 8.6606 8.6606 8.8846 8.8846 9.5647 9.5647 9.6056 9.6056 12.0727 12.0727 12.6804 12.6804 12.7012 12.7012 14.5378 14.5378 k = 0.0000 0.1951-0.0000 ( 4857 PWs) bands (ev): -46.2733 -46.2733 -22.9905 -22.9905 -22.6116 -22.6116 -22.3329 -22.3329 -22.3268 -22.3268 -7.3571 -7.3571 -6.3259 -6.3259 -6.3192 -6.3192 -5.2857 -5.2857 -4.2366 -4.2366 -4.1051 -4.1051 6.8103 6.8103 7.2350 7.2350 7.2812 7.2812 8.4843 8.4843 8.4982 8.4982 8.6304 8.6304 8.7999 8.7999 9.5505 9.5505 9.5912 9.5912 12.0787 12.0787 12.7516 12.7516 12.7726 12.7726 14.5384 14.5384 k = 0.0000 0.2073-0.0000 ( 4857 PWs) bands (ev): -46.2733 -46.2733 -22.9917 -22.9917 -22.6115 -22.6115 -22.3334 -22.3334 -22.3267 -22.3267 -7.3648 -7.3648 -6.3244 -6.3244 -6.3097 -6.3097 -5.2771 -5.2771 -4.2347 -4.2347 -4.0891 -4.0891 6.7576 6.7576 7.2332 7.2332 7.2786 7.2786 8.4399 8.4399 8.4545 8.4545 8.5998 8.5998 8.7161 8.7161 9.5366 9.5366 9.5772 9.5772 12.0848 12.0848 12.8235 12.8235 12.8447 12.8447 14.5390 14.5390 k = 0.0000 0.2195-0.0000 ( 4845 PWs) bands (ev): -46.2732 -46.2732 -22.9929 -22.9929 -22.6114 -22.6114 -22.3339 -22.3339 -22.3266 -22.3266 -7.3733 -7.3733 -6.3229 -6.3229 -6.2987 -6.2987 -5.2688 -5.2688 -4.2328 -4.2328 -4.0728 -4.0728 6.7033 6.7033 7.2316 7.2316 7.2761 7.2761 8.3953 8.3953 8.4107 8.4107 8.5690 8.5690 8.6337 8.6337 9.5232 9.5232 9.5635 9.5635 12.0911 12.0911 12.8956 12.8956 12.9170 12.9170 14.5395 14.5395 k = 0.0000 0.2317-0.0000 ( 4857 PWs) bands (ev): -46.2732 -46.2732 -22.9942 -22.9942 -22.6114 -22.6114 -22.3344 -22.3344 -22.3265 -22.3265 -7.3825 -7.3825 -6.3214 -6.3214 -6.2863 -6.2863 -5.2608 -5.2608 -4.2308 -4.2308 -4.0564 -4.0564 6.6477 6.6477 7.2302 7.2302 7.2737 7.2737 8.3506 8.3506 8.3669 8.3669 8.5381 8.5381 8.5530 8.5530 9.5101 9.5101 9.5502 9.5502 12.0976 12.0976 12.9677 12.9677 12.9894 12.9894 14.5401 14.5401 k = 0.0000 0.2439-0.0000 ( 4837 PWs) bands (ev): -46.2731 -46.2731 -22.9954 -22.9954 -22.6113 -22.6113 -22.3349 -22.3349 -22.3263 -22.3263 -7.3922 -7.3922 -6.3199 -6.3199 -6.2728 -6.2728 -5.2530 -5.2530 -4.2289 -4.2289 -4.0399 -4.0399 6.5912 6.5912 7.2290 7.2290 7.2713 7.2713 8.3062 8.3062 8.3235 8.3235 8.4745 8.4745 8.5073 8.5073 9.4974 9.4974 9.5372 9.5372 12.1041 12.1041 13.0394 13.0394 13.0612 13.0612 14.5406 14.5406 k = 0.0000 0.2561-0.0000 ( 4837 PWs) bands (ev): -46.2730 -46.2730 -22.9967 -22.9967 -22.6113 -22.6113 -22.3354 -22.3354 -22.3262 -22.3262 -7.4025 -7.4025 -6.3184 -6.3184 -6.2581 -6.2581 -5.2455 -5.2455 -4.2269 -4.2269 -4.0235 -4.0235 6.5340 6.5340 7.2281 7.2281 7.2691 7.2691 8.2622 8.2622 8.2806 8.2806 8.3986 8.3986 8.4769 8.4769 9.4852 9.4852 9.5248 9.5248 12.1106 12.1106 13.1103 13.1103 13.1324 13.1324 14.5411 14.5411 k = 0.0000 0.2683-0.0000 ( 4853 PWs) bands (ev): -46.2730 -46.2730 -22.9980 -22.9980 -22.6113 -22.6113 -22.3358 -22.3358 -22.3261 -22.3261 -7.4132 -7.4132 -6.3169 -6.3169 -6.2425 -6.2425 -5.2384 -5.2384 -4.2250 -4.2250 -4.0072 -4.0072 6.4766 6.4766 7.2274 7.2274 7.2671 7.2671 8.2189 8.2189 8.2384 8.2384 8.3254 8.3254 8.4469 8.4469 9.4734 9.4734 9.5127 9.5127 12.1172 12.1172 13.1800 13.1800 13.2024 13.2024 14.5416 14.5416 k = 0.0000 0.2805-0.0000 ( 4853 PWs) bands (ev): -46.2729 -46.2729 -22.9993 -22.9993 -22.6113 -22.6113 -22.3362 -22.3362 -22.3260 -22.3260 -7.4241 -7.4241 -6.3154 -6.3154 -6.2261 -6.2261 -5.2317 -5.2317 -4.2230 -4.2230 -3.9912 -3.9912 6.4192 6.4192 7.2270 7.2270 7.2653 7.2653 8.1764 8.1764 8.1971 8.1971 8.2554 8.2554 8.4175 8.4175 9.4621 9.4621 9.5012 9.5012 12.1237 12.1237 13.2484 13.2484 13.2710 13.2710 14.5421 14.5421 k = 0.0000 0.2927-0.0000 ( 4857 PWs) bands (ev): -46.2729 -46.2729 -23.0006 -23.0006 -22.6112 -22.6112 -22.3367 -22.3367 -22.3259 -22.3259 -7.4352 -7.4352 -6.3139 -6.3139 -6.2091 -6.2091 -5.2253 -5.2253 -4.2211 -4.2211 -3.9755 -3.9755 6.3623 6.3623 7.2270 7.2270 7.2636 7.2636 8.1348 8.1348 8.1569 8.1569 8.1887 8.1887 8.3889 8.3889 9.4513 9.4513 9.4901 9.4901 12.1301 12.1301 13.3151 13.3151 13.3379 13.3379 14.5425 14.5425 k = 0.0000 0.3049-0.0000 ( 4857 PWs) bands (ev): -46.2728 -46.2728 -23.0018 -23.0018 -22.6112 -22.6112 -22.3371 -22.3371 -22.3258 -22.3258 -7.4463 -7.4463 -6.3124 -6.3124 -6.1917 -6.1917 -5.2193 -5.2193 -4.2192 -4.2192 -3.9602 -3.9602 6.3062 6.3062 7.2272 7.2272 7.2622 7.2622 8.0942 8.0942 8.1180 8.1180 8.1256 8.1256 8.3612 8.3612 9.4411 9.4411 9.4796 9.4796 12.1365 12.1365 13.3797 13.3797 13.4028 13.4028 14.5430 14.5430 k = 0.0000 0.3171-0.0000 ( 4853 PWs) bands (ev): -46.2728 -46.2728 -23.0030 -23.0030 -22.6112 -22.6112 -22.3374 -22.3374 -22.3256 -22.3256 -7.4573 -7.4573 -6.3110 -6.3110 -6.1741 -6.1741 -5.2137 -5.2137 -4.2174 -4.2174 -3.9455 -3.9455 6.2512 6.2512 7.2278 7.2278 7.2611 7.2611 8.0536 8.0536 8.0673 8.0673 8.0804 8.0804 8.3345 8.3345 9.4313 9.4313 9.4696 9.4696 12.1427 12.1427 13.4421 13.4421 13.4654 13.4654 14.5434 14.5434 k = 0.0000 0.3293-0.0000 ( 4837 PWs) bands (ev): -46.2727 -46.2727 -23.0042 -23.0042 -22.6112 -22.6112 -22.3378 -22.3378 -22.3255 -22.3255 -7.4682 -7.4682 -6.3097 -6.3097 -6.1564 -6.1564 -5.2085 -5.2085 -4.2156 -4.2156 -3.9314 -3.9314 6.1978 6.1978 7.2287 7.2287 7.2603 7.2603 8.0062 8.0062 8.0210 8.0210 8.0444 8.0444 8.3090 8.3090 9.4222 9.4222 9.4602 9.4602 12.1487 12.1487 13.5019 13.5019 13.5254 13.5254 14.5438 14.5438 k = 0.0000 0.3415-0.0000 ( 4845 PWs) bands (ev): -46.2727 -46.2727 -23.0053 -23.0053 -22.6112 -22.6112 -22.3381 -22.3381 -22.3254 -22.3254 -7.4788 -7.4788 -6.3083 -6.3083 -6.1389 -6.1389 -5.2036 -5.2036 -4.2139 -4.2139 -3.9179 -3.9179 6.1463 6.1463 7.2299 7.2299 7.2597 7.2597 7.9548 7.9548 7.9840 7.9840 8.0101 8.0101 8.2848 8.2848 9.4135 9.4135 9.4514 9.4514 12.1544 12.1544 13.5588 13.5588 13.5826 13.5826 14.5442 14.5442 k = 0.0000 0.3537-0.0000 ( 4853 PWs) bands (ev): -46.2726 -46.2726 -23.0064 -23.0064 -22.6112 -22.6112 -22.3384 -22.3384 -22.3253 -22.3253 -7.4890 -7.4890 -6.3071 -6.3071 -6.1218 -6.1218 -5.1992 -5.1992 -4.2123 -4.2123 -3.9051 -3.9051 6.0971 6.0971 7.2314 7.2314 7.2594 7.2594 7.9064 7.9064 7.9496 7.9496 7.9776 7.9776 8.2620 8.2620 9.4055 9.4055 9.4431 9.4431 12.1599 12.1599 13.6127 13.6127 13.6367 13.6367 14.5445 14.5445 k = 0.0000 0.3659-0.0000 ( 4861 PWs) bands (ev): -46.2726 -46.2726 -23.0075 -23.0075 -22.6112 -22.6112 -22.3387 -22.3387 -22.3252 -22.3252 -7.4987 -7.4987 -6.3059 -6.3059 -6.1053 -6.1053 -5.1951 -5.1951 -4.2108 -4.2108 -3.8932 -3.8932 6.0504 6.0504 7.2333 7.2333 7.2593 7.2593 7.8615 7.8615 7.9173 7.9173 7.9470 7.9470 8.2406 8.2406 9.3980 9.3980 9.4355 9.4355 12.1652 12.1652 13.6632 13.6632 13.6874 13.6874 14.5449 14.5449 k = 0.0000 0.3780-0.0000 ( 4873 PWs) bands (ev): -46.2725 -46.2725 -23.0084 -23.0084 -22.6112 -22.6112 -22.3389 -22.3389 -22.3252 -22.3252 -7.5078 -7.5078 -6.3048 -6.3048 -6.0895 -6.0895 -5.1914 -5.1914 -4.2093 -4.2093 -3.8821 -3.8821 6.0066 6.0066 7.2354 7.2354 7.2595 7.2595 7.8205 7.8205 7.8872 7.8872 7.9185 7.9185 8.2208 8.2208 9.3912 9.3912 9.4284 9.4284 12.1700 12.1700 13.7102 13.7102 13.7345 13.7345 14.5452 14.5452 k = 0.0000 0.3902-0.0000 ( 4869 PWs) bands (ev): -46.2725 -46.2725 -23.0093 -23.0093 -22.6112 -22.6112 -22.3391 -22.3391 -22.3251 -22.3251 -7.5163 -7.5163 -6.3038 -6.3038 -6.0746 -6.0746 -5.1881 -5.1881 -4.2080 -4.2080 -3.8719 -3.8719 5.9661 5.9661 7.2377 7.2377 7.2599 7.2599 7.7833 7.7833 7.8592 7.8592 7.8922 7.8922 8.2027 8.2027 9.3849 9.3849 9.4220 9.4220 12.1746 12.1746 13.7534 13.7534 13.7779 13.7779 14.5454 14.5454 k = 0.0000 0.4024-0.0000 ( 4869 PWs) bands (ev): -46.2725 -46.2725 -23.0101 -23.0101 -22.6112 -22.6112 -22.3393 -22.3393 -22.3250 -22.3250 -7.5241 -7.5241 -6.3029 -6.3029 -6.0608 -6.0608 -5.1851 -5.1851 -4.2068 -4.2068 -3.8627 -3.8627 5.9290 5.9290 7.2401 7.2401 7.2605 7.2605 7.7500 7.7500 7.8335 7.8335 7.8682 7.8682 8.1863 8.1863 9.3793 9.3793 9.4163 9.4163 12.1787 12.1787 13.7926 13.7926 13.8173 13.8173 14.5457 14.5457 k = 0.0000 0.4146-0.0000 ( 4865 PWs) bands (ev): -46.2724 -46.2724 -23.0109 -23.0109 -22.6113 -22.6113 -22.3395 -22.3395 -22.3249 -22.3249 -7.5311 -7.5311 -6.3020 -6.3020 -6.0482 -6.0482 -5.1825 -5.1825 -4.2057 -4.2057 -3.8545 -3.8545 5.8957 5.8957 7.2427 7.2427 7.2613 7.2613 7.7206 7.7206 7.8104 7.8104 7.8466 7.8466 8.1716 8.1716 9.3744 9.3744 9.4112 9.4112 12.1824 12.1824 13.8277 13.8277 13.8525 13.8525 14.5459 14.5459 k = 0.0000 0.4268-0.0000 ( 4869 PWs) bands (ev): -46.2724 -46.2724 -23.0115 -23.0115 -22.6113 -22.6113 -22.3396 -22.3396 -22.3249 -22.3249 -7.5373 -7.5373 -6.3013 -6.3013 -6.0370 -6.0370 -5.1803 -5.1803 -4.2048 -4.2048 -3.8473 -3.8473 5.8663 5.8663 7.2452 7.2452 7.2621 7.2621 7.6951 7.6951 7.7899 7.7899 7.8276 7.8276 8.1588 8.1588 9.3700 9.3700 9.4068 9.4068 12.1857 12.1857 13.8584 13.8584 13.8833 13.8833 14.5461 14.5461 k = 0.0000 0.4390-0.0000 ( 4877 PWs) bands (ev): -46.2724 -46.2724 -23.0121 -23.0121 -22.6113 -22.6113 -22.3398 -22.3398 -22.3248 -22.3248 -7.5427 -7.5427 -6.3007 -6.3007 -6.0274 -6.0274 -5.1784 -5.1784 -4.2040 -4.2040 -3.8411 -3.8411 5.8411 5.8411 7.2476 7.2476 7.2629 7.2629 7.6735 7.6735 7.7721 7.7721 7.8113 7.8113 8.1479 8.1479 9.3664 9.3664 9.4030 9.4030 12.1885 12.1885 13.8847 13.8847 13.9097 13.9097 14.5463 14.5463 k = 0.0000 0.4512-0.0000 ( 4877 PWs) bands (ev): -46.2723 -46.2723 -23.0125 -23.0125 -22.6113 -22.6113 -22.3399 -22.3399 -22.3248 -22.3248 -7.5471 -7.5471 -6.3002 -6.3002 -6.0193 -6.0193 -5.1769 -5.1769 -4.2033 -4.2033 -3.8361 -3.8361 5.8202 5.8202 7.2497 7.2497 7.2637 7.2637 7.6559 7.6559 7.7574 7.7574 7.7978 7.7978 8.1389 8.1389 9.3634 9.3634 9.3999 9.3999 12.1908 12.1908 13.9063 13.9063 13.9315 13.9315 14.5464 14.5464 k = 0.0000 0.4634-0.0000 ( 4873 PWs) bands (ev): -46.2723 -46.2723 -23.0129 -23.0129 -22.6113 -22.6113 -22.3399 -22.3399 -22.3248 -22.3248 -7.5505 -7.5505 -6.2998 -6.2998 -6.0129 -6.0129 -5.1757 -5.1757 -4.2028 -4.2028 -3.8321 -3.8321 5.8038 5.8038 7.2516 7.2516 7.2644 7.2644 7.6421 7.6421 7.7457 7.7457 7.7871 7.7871 8.1319 8.1319 9.3610 9.3610 9.3975 9.3975 12.1926 12.1926 13.9233 13.9233 13.9485 13.9485 14.5465 14.5465 k = 0.0000 0.4756-0.0000 ( 4873 PWs) bands (ev): -46.2723 -46.2723 -23.0131 -23.0131 -22.6113 -22.6113 -22.3400 -22.3400 -22.3247 -22.3247 -7.5530 -7.5530 -6.2995 -6.2995 -6.0083 -6.0083 -5.1749 -5.1749 -4.2024 -4.2024 -3.8293 -3.8293 5.7921 5.7921 7.2530 7.2530 7.2650 7.2650 7.6323 7.6323 7.7373 7.7373 7.7794 7.7794 8.1269 8.1269 9.3593 9.3593 9.3958 9.3958 12.1939 12.1939 13.9355 13.9355 13.9607 13.9607 14.5466 14.5466 k = 0.0000 0.4878-0.0000 ( 4893 PWs) bands (ev): -46.2723 -46.2723 -23.0133 -23.0133 -22.6113 -22.6113 -22.3400 -22.3400 -22.3247 -22.3247 -7.5545 -7.5545 -6.2993 -6.2993 -6.0055 -6.0055 -5.1744 -5.1744 -4.2022 -4.2022 -3.8276 -3.8276 5.7850 5.7850 7.2538 7.2538 7.2653 7.2653 7.6264 7.6264 7.7322 7.7322 7.7748 7.7748 8.1239 8.1239 9.3583 9.3583 9.3947 9.3947 12.1947 12.1947 13.9428 13.9428 13.9681 13.9681 14.5467 14.5467 k = 0.0000 0.5000-0.0000 ( 4918 PWs) bands (ev): -46.2723 -46.2723 -23.0133 -23.0133 -22.6113 -22.6113 -22.3400 -22.3400 -22.3247 -22.3247 -7.5550 -7.5550 -6.2992 -6.2992 -6.0046 -6.0046 -5.1742 -5.1742 -4.2021 -4.2021 -3.8270 -3.8270 5.7826 5.7826 7.2541 7.2541 7.2654 7.2654 7.6245 7.6245 7.7304 7.7304 7.7732 7.7732 8.1229 8.1229 9.3580 9.3580 9.3944 9.3944 12.1950 12.1950 13.9452 13.9452 13.9705 13.9705 14.5467 14.5467 k = 0.0000 0.5000-0.0000 ( 4918 PWs) bands (ev): -46.2723 -46.2723 -23.0133 -23.0133 -22.6113 -22.6113 -22.3400 -22.3400 -22.3247 -22.3247 -7.5550 -7.5550 -6.2992 -6.2992 -6.0046 -6.0046 -5.1742 -5.1742 -4.2021 -4.2021 -3.8270 -3.8270 5.7826 5.7826 7.2541 7.2541 7.2654 7.2654 7.6245 7.6245 7.7304 7.7304 7.7732 7.7732 8.1229 8.1229 9.3580 9.3580 9.3944 9.3944 12.1950 12.1950 13.9452 13.9452 13.9705 13.9705 14.5467 14.5467 k = 0.0122 0.5000-0.0000 ( 4898 PWs) bands (ev): -46.2723 -46.2723 -23.0133 -23.0133 -22.6113 -22.6113 -22.3401 -22.3401 -22.3248 -22.3248 -7.5542 -7.5542 -6.2990 -6.2990 -6.0055 -6.0055 -5.1737 -5.1737 -4.2018 -4.2018 -3.8273 -3.8273 5.7825 5.7825 7.2536 7.2536 7.2650 7.2650 7.5919 7.5919 7.7407 7.7407 7.7861 7.7861 8.1326 8.1326 9.3549 9.3549 9.3913 9.3913 12.1983 12.1983 13.9453 13.9453 13.9706 13.9706 14.5504 14.5504 k = 0.0244 0.5000-0.0000 ( 4886 PWs) bands (ev): -46.2723 -46.2723 -23.0134 -23.0134 -22.6111 -22.6111 -22.3403 -22.3403 -22.3249 -22.3249 -7.5516 -7.5516 -6.2983 -6.2983 -6.0084 -6.0084 -5.1722 -5.1722 -4.2009 -4.2009 -3.8281 -3.8281 5.7822 5.7822 7.2519 7.2519 7.2638 7.2638 7.5268 7.5268 7.7451 7.7451 7.8189 7.8189 8.1612 8.1612 9.3455 9.3455 9.3823 9.3823 12.2081 12.2081 13.9454 13.9454 13.9707 13.9707 14.5615 14.5615 k = 0.0366 0.5000-0.0000 ( 4874 PWs) bands (ev): -46.2723 -46.2723 -23.0134 -23.0134 -22.6109 -22.6109 -22.3406 -22.3406 -22.3252 -22.3252 -7.5474 -7.5474 -6.2973 -6.2973 -6.0132 -6.0132 -5.1696 -5.1696 -4.1995 -4.1995 -3.8296 -3.8296 5.7818 5.7818 7.2484 7.2484 7.2625 7.2625 7.4516 7.4516 7.7430 7.7430 7.8516 7.8516 8.2070 8.2070 9.3295 9.3295 9.3681 9.3681 12.2244 12.2244 13.9456 13.9456 13.9709 13.9709 14.5797 14.5797 k = 0.0488 0.5000-0.0000 ( 4878 PWs) bands (ev): -46.2723 -46.2723 -23.0135 -23.0135 -22.6106 -22.6106 -22.3410 -22.3410 -22.3256 -22.3256 -7.5415 -7.5415 -6.2958 -6.2958 -6.0197 -6.0197 -5.1661 -5.1661 -4.1974 -4.1974 -3.8315 -3.8315 5.7811 5.7811 7.2424 7.2424 7.2615 7.2615 7.3721 7.3721 7.7383 7.7383 7.8783 7.8783 8.2663 8.2663 9.3065 9.3065 9.3498 9.3498 12.2468 12.2468 13.9460 13.9460 13.9712 13.9712 14.6044 14.6044 k = 0.0610 0.5000-0.0000 ( 4876 PWs) bands (ev): -46.2723 -46.2723 -23.0136 -23.0136 -22.6102 -22.6102 -22.3415 -22.3415 -22.3260 -22.3260 -7.5340 -7.5340 -6.2939 -6.2939 -6.0280 -6.0280 -5.1618 -5.1618 -4.1948 -4.1948 -3.8340 -3.8340 5.7803 5.7803 7.2338 7.2338 7.2604 7.2604 7.2910 7.2910 7.7317 7.7317 7.9001 7.9001 8.3347 8.3347 9.2766 9.2766 9.3282 9.3282 12.2751 12.2751 13.9465 13.9465 13.9717 13.9717 14.6352 14.6352 k = 0.0732 0.5000-0.0000 ( 4868 PWs) bands (ev): -46.2722 -46.2722 -23.0136 -23.0136 -22.6097 -22.6097 -22.3421 -22.3421 -22.3266 -22.3266 -7.5248 -7.5248 -6.2917 -6.2917 -6.0379 -6.0379 -5.1567 -5.1567 -4.1917 -4.1917 -3.8370 -3.8370 5.7794 5.7794 7.2060 7.2060 7.2238 7.2238 7.2611 7.2611 7.7236 7.7236 7.9191 7.9191 8.4089 8.4089 9.2406 9.2406 9.3037 9.3037 12.3089 12.3089 13.9471 13.9471 13.9725 13.9725 14.6710 14.6710 k = 0.0854 0.5000-0.0000 ( 4864 PWs) bands (ev): -46.2722 -46.2722 -23.0138 -23.0138 -22.6091 -22.6091 -22.3429 -22.3429 -22.3272 -22.3272 -7.5140 -7.5140 -6.2892 -6.2892 -6.0492 -6.0492 -5.1508 -5.1508 -4.1880 -4.1880 -3.8405 -3.8405 5.7782 5.7782 7.1239 7.1239 7.2092 7.2092 7.2607 7.2607 7.7140 7.7140 7.9368 7.9368 8.4864 8.4864 9.1996 9.1996 9.2764 9.2764 12.3478 12.3478 13.9479 13.9479 13.9735 13.9735 14.7113 14.7113 k = 0.0976 0.5000-0.0000 ( 4862 PWs) bands (ev): -46.2722 -46.2722 -23.0139 -23.0139 -22.6084 -22.6084 -22.3439 -22.3439 -22.3278 -22.3278 -7.5017 -7.5017 -6.2864 -6.2864 -6.0619 -6.0619 -5.1444 -5.1444 -4.1839 -4.1839 -3.8443 -3.8443 5.7769 5.7769 7.0413 7.0413 7.1924 7.1924 7.2604 7.2604 7.7030 7.7030 7.9543 7.9543 8.5656 8.5656 9.1546 9.1546 9.2467 9.2467 12.3915 12.3915 13.9490 13.9490 13.9750 13.9750 14.7549 14.7549 k = 0.1098 0.5000-0.0000 ( 4870 PWs) bands (ev): -46.2721 -46.2721 -23.0140 -23.0140 -22.6076 -22.6076 -22.3449 -22.3449 -22.3285 -22.3285 -7.4878 -7.4878 -6.2834 -6.2834 -6.0758 -6.0758 -5.1375 -5.1375 -4.1793 -4.1793 -3.8486 -3.8486 5.7755 5.7755 6.9591 6.9591 7.1724 7.1724 7.2603 7.2603 7.6908 7.6908 7.9720 7.9720 8.6454 8.6454 9.1068 9.1068 9.2147 9.2147 12.4393 12.4393 13.9501 13.9501 13.9770 13.9770 14.8010 14.8010 k = 0.1220 0.5000-0.0000 ( 4866 PWs) bands (ev): -46.2721 -46.2721 -23.0142 -23.0142 -22.6068 -22.6068 -22.3461 -22.3461 -22.3293 -22.3293 -7.4724 -7.4724 -6.2804 -6.2804 -6.0907 -6.0907 -5.1302 -5.1302 -4.1742 -4.1742 -3.8531 -3.8531 5.7739 5.7739 6.8778 6.8778 7.1490 7.1490 7.2602 7.2602 7.6775 7.6775 7.9902 7.9902 8.7251 8.7251 9.0573 9.0573 9.1809 9.1809 12.4910 12.4910 13.9514 13.9514 13.9797 13.9797 14.8487 14.8487 k = 0.1341 0.5000-0.0000 ( 4866 PWs) bands (ev): -46.2721 -46.2721 -23.0144 -23.0144 -22.6059 -22.6059 -22.3475 -22.3475 -22.3300 -22.3300 -7.4556 -7.4556 -6.2773 -6.2773 -6.1065 -6.1065 -5.1226 -5.1226 -4.1688 -4.1688 -3.8580 -3.8580 5.7722 5.7722 6.7976 6.7976 7.1219 7.1219 7.2601 7.2601 7.6631 7.6631 8.0092 8.0092 8.8041 8.8041 9.0071 9.0071 9.1454 9.1454 12.5459 12.5459 13.9527 13.9527 13.9834 13.9834 14.8971 14.8971 k = 0.1463 0.5000-0.0000 ( 4866 PWs) bands (ev): -46.2720 -46.2720 -23.0146 -23.0146 -22.6049 -22.6049 -22.3490 -22.3490 -22.3308 -22.3308 -7.4374 -7.4374 -6.2743 -6.2743 -6.1230 -6.1230 -5.1148 -5.1148 -4.1630 -4.1630 -3.8630 -3.8630 5.7703 5.7703 6.7186 6.7186 7.0910 7.0910 7.2600 7.2600 7.6477 7.6477 8.0291 8.0291 8.8819 8.8819 8.9574 8.9574 9.1086 9.1086 12.6038 12.6038 13.9540 13.9540 13.9881 13.9881 14.9453 14.9453 k = 0.1585 0.5000-0.0000 ( 4866 PWs) bands (ev): -46.2720 -46.2720 -23.0148 -23.0148 -22.6038 -22.6038 -22.3506 -22.3506 -22.3316 -22.3316 -7.4179 -7.4179 -6.2714 -6.2714 -6.1401 -6.1401 -5.1068 -5.1068 -4.1569 -4.1569 -3.8682 -3.8682 5.7683 5.7683 6.6411 6.6411 7.0561 7.0561 7.2599 7.2599 7.6315 7.6315 8.0497 8.0497 8.9088 8.9088 8.9583 8.9583 9.0709 9.0709 12.6640 12.6640 13.9551 13.9551 13.9942 13.9942 14.9928 14.9928 k = 0.1707 0.5000-0.0000 ( 4874 PWs) bands (ev): -46.2719 -46.2719 -23.0151 -23.0151 -22.6026 -22.6026 -22.3524 -22.3524 -22.3324 -22.3324 -7.3971 -7.3971 -6.2688 -6.2688 -6.1576 -6.1576 -5.0987 -5.0987 -4.1505 -4.1505 -3.8735 -3.8735 5.7661 5.7661 6.5652 6.5652 7.0171 7.0171 7.2598 7.2598 7.6145 7.6145 8.0711 8.0711 8.8623 8.8623 9.0316 9.0316 9.0338 9.0338 12.7263 12.7263 13.9562 13.9562 14.0016 14.0016 15.0389 15.0389 k = 0.1829 0.5000-0.0000 ( 4868 PWs) bands (ev): -46.2719 -46.2719 -23.0154 -23.0154 -22.6014 -22.6014 -22.3543 -22.3543 -22.3332 -22.3332 -7.3750 -7.3750 -6.2667 -6.2667 -6.1753 -6.1753 -5.0905 -5.0905 -4.1439 -4.1439 -3.8787 -3.8787 5.7638 5.7638 6.4910 6.4910 6.9740 6.9740 7.2596 7.2596 7.5968 7.5968 8.0932 8.0932 8.8185 8.8185 8.9939 8.9939 9.1055 9.1055 12.7902 12.7902 13.9571 13.9571 14.0105 14.0105 15.0831 15.0831 k = 0.1951 0.5000-0.0000 ( 4868 PWs) bands (ev): -46.2718 -46.2718 -23.0156 -23.0156 -22.6001 -22.6001 -22.3563 -22.3563 -22.3339 -22.3339 -7.3518 -7.3518 -6.2652 -6.2652 -6.1929 -6.1929 -5.0824 -5.0824 -4.1372 -4.1372 -3.8840 -3.8840 5.7613 5.7613 6.4187 6.4187 6.9270 6.9270 7.2595 7.2595 7.5787 7.5787 8.1160 8.1160 8.7778 8.7778 8.9551 8.9551 9.1758 9.1758 12.8552 12.8552 13.9580 13.9580 14.0208 14.0208 15.1250 15.1250 k = 0.2073 0.5000-0.0000 ( 4858 PWs) bands (ev): -46.2718 -46.2718 -23.0159 -23.0159 -22.5987 -22.5987 -22.3584 -22.3584 -22.3347 -22.3347 -7.3275 -7.3275 -6.2649 -6.2649 -6.2101 -6.2101 -5.0744 -5.0744 -4.1303 -4.1303 -3.8891 -3.8891 5.7587 5.7587 6.3484 6.3484 6.8763 6.8763 7.2593 7.2593 7.5601 7.5601 8.1392 8.1392 8.7406 8.7406 8.9164 8.9164 9.2437 9.2437 12.9211 12.9211 13.9587 13.9587 14.0328 14.0328 15.1645 15.1645 k = 0.2195 0.5000-0.0000 ( 4858 PWs) bands (ev): -46.2717 -46.2717 -23.0163 -23.0163 -22.5973 -22.5973 -22.3606 -22.3606 -22.3355 -22.3355 -7.3022 -7.3022 -6.2666 -6.2666 -6.2258 -6.2258 -5.0664 -5.0664 -4.1234 -4.1234 -3.8940 -3.8940 5.7559 5.7559 6.2801 6.2801 6.8222 6.8222 7.2591 7.2591 7.5412 7.5412 8.1629 8.1629 8.7070 8.7070 8.8781 8.8781 9.3091 9.3091 12.9875 12.9875 13.9594 13.9594 14.0462 14.0462 15.2013 15.2013 k = 0.2317 0.5000-0.0000 ( 4854 PWs) bands (ev): -46.2716 -46.2716 -23.0166 -23.0166 -22.5958 -22.5958 -22.3628 -22.3628 -22.3362 -22.3362 -7.2760 -7.2760 -6.2721 -6.2721 -6.2384 -6.2384 -5.0585 -5.0585 -4.1165 -4.1165 -3.8987 -3.8987 5.7529 5.7529 6.2141 6.2141 6.7652 6.7652 7.2589 7.2589 7.5221 7.5221 8.1869 8.1869 8.6772 8.6772 8.8403 8.8403 9.3717 9.3717 13.0539 13.0539 13.9601 13.9601 14.0611 14.0611 15.2354 15.2354 k = 0.2439 0.5000-0.0000 ( 4854 PWs) bands (ev): -46.2716 -46.2716 -23.0169 -23.0169 -22.5943 -22.5943 -22.3652 -22.3652 -22.3370 -22.3370 -7.2488 -7.2488 -6.2829 -6.2829 -6.2462 -6.2462 -5.0508 -5.0508 -4.1097 -4.1097 -3.9031 -3.9031 5.7496 5.7496 6.1503 6.1503 6.7058 6.7058 7.2587 7.2587 7.5030 7.5030 8.2109 8.2109 8.6510 8.6510 8.8034 8.8034 9.4314 9.4314 13.1201 13.1201 13.9607 13.9607 14.0775 14.0775 15.2668 15.2668 k = 0.2561 0.5000-0.0000 ( 4852 PWs) bands (ev): -46.2715 -46.2715 -23.0173 -23.0173 -22.5928 -22.5928 -22.3675 -22.3675 -22.3377 -22.3377 -7.2209 -7.2209 -6.2975 -6.2975 -6.2509 -6.2509 -5.0432 -5.0432 -4.1030 -4.1030 -3.9071 -3.9071 5.7461 5.7461 6.0889 6.0889 6.6447 6.6447 7.2584 7.2584 7.4839 7.4839 8.2351 8.2351 8.6284 8.6284 8.7673 8.7673 9.4883 9.4883 13.1858 13.1858 13.9612 13.9612 14.0953 14.0953 15.2955 15.2955 k = 0.2683 0.5000-0.0000 ( 4844 PWs) bands (ev): -46.2715 -46.2715 -23.0176 -23.0176 -22.5912 -22.5912 -22.3699 -22.3699 -22.3384 -22.3384 -7.1923 -7.1923 -6.3137 -6.3137 -6.2546 -6.2546 -5.0358 -5.0358 -4.0965 -4.0965 -3.9107 -3.9107 5.7422 5.7422 6.0300 6.0300 6.5825 6.5825 7.2581 7.2581 7.4650 7.4650 8.2591 8.2591 8.6090 8.6090 8.7323 8.7323 9.5421 9.5421 13.2506 13.2506 13.9618 13.9618 14.1143 14.1143 15.3216 15.3216 k = 0.2805 0.5000-0.0000 ( 4844 PWs) bands (ev): -46.2714 -46.2714 -23.0180 -23.0180 -22.5896 -22.5896 -22.3723 -22.3723 -22.3391 -22.3391 -7.1630 -7.1630 -6.3304 -6.3304 -6.2584 -6.2584 -5.0286 -5.0286 -4.0902 -4.0902 -3.9139 -3.9139 5.7380 5.7380 5.9736 5.9736 6.5198 6.5198 7.2578 7.2578 7.4463 7.4463 8.2828 8.2828 8.5927 8.5927 8.6985 8.6985 9.5929 9.5929 13.3141 13.3141 13.9623 13.9623 14.1345 14.1345 15.3453 15.3453 k = 0.2927 0.5000-0.0000 ( 4844 PWs) bands (ev): -46.2714 -46.2714 -23.0184 -23.0184 -22.5880 -22.5880 -22.3747 -22.3747 -22.3398 -22.3398 -7.1332 -7.1332 -6.3471 -6.3471 -6.2628 -6.2628 -5.0215 -5.0215 -4.0843 -4.0843 -3.9166 -3.9166 5.7333 5.7333 5.9198 5.9198 6.4575 6.4575 7.2575 7.2575 7.4280 7.4280 8.3062 8.3062 8.5791 8.5791 8.6660 8.6660 9.6405 9.6405 13.3762 13.3762 13.9629 13.9629 14.1556 14.1556 15.3668 15.3668 k = 0.3049 0.5000-0.0000 ( 4852 PWs) bands (ev): -46.2713 -46.2713 -23.0188 -23.0188 -22.5863 -22.5863 -22.3771 -22.3771 -22.3405 -22.3405 -7.1030 -7.1030 -6.3636 -6.3636 -6.2681 -6.2681 -5.0147 -5.0147 -4.0786 -4.0786 -3.9187 -3.9187 5.7280 5.7280 5.8688 5.8688 6.3962 6.3962 7.2571 7.2571 7.4101 7.4101 8.3290 8.3290 8.5679 8.5679 8.6351 8.6351 9.6851 9.6851 13.4365 13.4365 13.9634 13.9634 14.1775 14.1775 15.3861 15.3861 k = 0.3171 0.5000-0.0000 ( 4860 PWs) bands (ev): -46.2712 -46.2712 -23.0191 -23.0191 -22.5847 -22.5847 -22.3795 -22.3795 -22.3411 -22.3411 -7.0723 -7.0723 -6.3797 -6.3797 -6.2743 -6.2743 -5.0080 -5.0080 -4.0734 -4.0734 -3.9204 -3.9204 5.7220 5.7220 5.8204 5.8204 6.3366 6.3366 7.2567 7.2567 7.3929 7.3929 8.3512 8.3512 8.5587 8.5587 8.6058 8.6058 9.7266 9.7266 13.4948 13.4948 13.9639 13.9639 14.1999 14.1999 15.4034 15.4034 k = 0.3293 0.5000-0.0000 ( 4860 PWs) bands (ev): -46.2712 -46.2712 -23.0195 -23.0195 -22.5831 -22.5831 -22.3818 -22.3818 -22.3417 -22.3417 -7.0414 -7.0414 -6.3954 -6.3954 -6.2816 -6.2816 -5.0016 -5.0016 -4.0685 -4.0685 -3.9216 -3.9216 5.7152 5.7152 5.7749 5.7749 6.2795 6.2795 7.2563 7.2563 7.3763 7.3763 8.3726 8.3726 8.5508 8.5508 8.5787 8.5787 9.7650 9.7650 13.5507 13.5507 13.9644 13.9644 14.2227 14.2227 15.4189 15.4189 k = 0.3415 0.5000-0.0000 ( 4854 PWs) bands (ev): -46.2711 -46.2711 -23.0199 -23.0199 -22.5815 -22.5815 -22.3840 -22.3840 -22.3423 -22.3423 -7.0103 -7.0103 -6.4106 -6.4106 -6.2898 -6.2898 -4.9955 -4.9955 -4.0641 -4.0641 -3.9223 -3.9223 5.7074 5.7074 5.7324 5.7324 6.2254 6.2254 7.2559 7.2559 7.3604 7.3604 8.3931 8.3931 8.5415 8.5415 8.5563 8.5563 9.8003 9.8003 13.6040 13.6040 13.9648 13.9648 14.2456 14.2456 15.4327 15.4327 k = 0.3537 0.5000-0.0000 ( 4850 PWs) bands (ev): -46.2711 -46.2711 -23.0202 -23.0202 -22.5800 -22.5800 -22.3862 -22.3862 -22.3428 -22.3428 -6.9792 -6.9792 -6.4253 -6.4253 -6.2990 -6.2990 -4.9896 -4.9896 -4.0601 -4.0601 -3.9225 -3.9225 5.6921 5.6921 5.6991 5.6991 6.1751 6.1751 7.2554 7.2554 7.3453 7.3453 8.4125 8.4125 8.5231 8.5231 8.5461 8.5461 9.8327 9.8327 13.6545 13.6545 13.9653 13.9653 14.2683 14.2683 15.4450 15.4450 k = 0.3659 0.5000-0.0000 ( 4852 PWs) bands (ev): -46.2711 -46.2711 -23.0206 -23.0206 -22.5785 -22.5785 -22.3883 -22.3883 -22.3434 -22.3434 -6.9480 -6.9480 -6.4395 -6.4395 -6.3091 -6.3091 -4.9841 -4.9841 -4.0565 -4.0565 -3.9224 -3.9224 5.6557 5.6557 5.6887 5.6887 6.1290 6.1290 7.2550 7.2550 7.3312 7.3312 8.4307 8.4307 8.5016 8.5016 8.5420 8.5420 9.8621 9.8621 13.7019 13.7019 13.9658 13.9658 14.2905 14.2905 15.4558 15.4558 k = 0.3780 0.5000-0.0000 ( 4844 PWs) bands (ev): -46.2710 -46.2710 -23.0209 -23.0209 -22.5771 -22.5771 -22.3902 -22.3902 -22.3438 -22.3438 -6.9170 -6.9170 -6.4534 -6.4534 -6.3200 -6.3200 -4.9789 -4.9789 -4.0533 -4.0533 -3.9219 -3.9219 5.6221 5.6221 5.6774 5.6774 6.0877 6.0877 7.2546 7.2546 7.3181 7.3181 8.4473 8.4473 8.4813 8.4813 8.5398 8.5398 9.8887 9.8887 13.7459 13.7459 13.9662 13.9662 14.3120 14.3120 15.4653 15.4653 k = 0.3902 0.5000-0.0000 ( 4844 PWs) bands (ev): -46.2710 -46.2710 -23.0212 -23.0212 -22.5758 -22.5758 -22.3921 -22.3921 -22.3443 -22.3443 -6.8863 -6.8863 -6.4669 -6.4669 -6.3315 -6.3315 -4.9741 -4.9741 -4.0505 -4.0505 -3.9212 -3.9212 5.5915 5.5915 5.6649 5.6649 6.0514 6.0514 7.2542 7.2542 7.3059 7.3059 8.4582 8.4582 8.4672 8.4672 8.5386 8.5386 9.9125 9.9125 13.7865 13.7865 13.9667 13.9667 14.3324 14.3324 15.4737 15.4737 k = 0.4024 0.5000-0.0000 ( 4842 PWs) bands (ev): -46.2709 -46.2709 -23.0215 -23.0215 -22.5745 -22.5745 -22.3937 -22.3937 -22.3447 -22.3447 -6.8560 -6.8560 -6.4803 -6.4803 -6.3433 -6.3433 -4.9696 -4.9696 -4.0481 -4.0481 -3.9203 -3.9203 5.5640 5.5640 5.6516 5.6516 6.0203 6.0203 7.2538 7.2538 7.2950 7.2950 8.4442 8.4442 8.4781 8.4781 8.5382 8.5382 9.9335 9.9335 13.8232 13.8232 13.9671 13.9671 14.3516 14.3516 15.4809 15.4809 k = 0.4146 0.5000-0.0000 ( 4838 PWs) bands (ev): -46.2709 -46.2709 -23.0217 -23.0217 -22.5734 -22.5734 -22.3953 -22.3953 -22.3450 -22.3450 -6.8263 -6.8263 -6.4936 -6.4936 -6.3551 -6.3551 -4.9656 -4.9656 -4.0460 -4.0460 -3.9194 -3.9194 5.5396 5.5396 5.6377 5.6377 5.9943 5.9943 7.2534 7.2534 7.2851 7.2851 8.4293 8.4293 8.4901 8.4901 8.5384 8.5384 9.9518 9.9518 13.8561 13.8561 13.9676 13.9676 14.3692 14.3692 15.4870 15.4870 k = 0.4268 0.5000-0.0000 ( 4834 PWs) bands (ev): -46.2709 -46.2709 -23.0219 -23.0219 -22.5724 -22.5724 -22.3966 -22.3966 -22.3454 -22.3454 -6.7974 -6.7974 -6.5071 -6.5071 -6.3666 -6.3666 -4.9621 -4.9621 -4.0443 -4.0443 -3.9183 -3.9183 5.5185 5.5185 5.6238 5.6238 5.9730 5.9730 7.2531 7.2531 7.2765 7.2765 8.4162 8.4162 8.5004 8.5004 8.5393 8.5393 9.9676 9.9676 13.8848 13.8848 13.9681 13.9681 14.3850 14.3850 15.4922 15.4922 k = 0.4390 0.5000-0.0000 ( 4834 PWs) bands (ev): -46.2709 -46.2709 -23.0221 -23.0221 -22.5715 -22.5715 -22.3978 -22.3978 -22.3456 -22.3456 -6.7695 -6.7695 -6.5209 -6.5209 -6.3773 -6.3773 -4.9590 -4.9590 -4.0428 -4.0428 -3.9174 -3.9174 5.5005 5.5005 5.6107 5.6107 5.9560 5.9560 7.2528 7.2528 7.2691 7.2691 8.4051 8.4051 8.5088 8.5088 8.5407 8.5407 9.9808 9.9808 13.9091 13.9091 13.9688 13.9688 14.3988 14.3988 15.4965 15.4965 k = 0.4512 0.5000-0.0000 ( 4826 PWs) bands (ev): -46.2708 -46.2708 -23.0223 -23.0223 -22.5708 -22.5708 -22.3988 -22.3988 -22.3458 -22.3458 -6.7430 -6.7430 -6.5350 -6.5350 -6.3868 -6.3868 -4.9565 -4.9565 -4.0416 -4.0416 -3.9165 -3.9165 5.4858 5.4858 5.5988 5.5988 5.9429 5.9429 7.2526 7.2526 7.2631 7.2631 8.3959 8.3959 8.5151 8.5151 8.5426 8.5426 9.9916 9.9916 13.9287 13.9287 13.9697 13.9697 14.4104 14.4104 15.5000 15.5000 k = 0.4634 0.5000-0.0000 ( 4822 PWs) bands (ev): -46.2708 -46.2708 -23.0224 -23.0224 -22.5702 -22.5702 -22.3995 -22.3995 -22.3460 -22.3460 -6.7187 -6.7187 -6.5493 -6.5493 -6.3946 -6.3946 -4.9545 -4.9545 -4.0408 -4.0408 -3.9157 -3.9157 5.4743 5.4743 5.5889 5.5889 5.9333 5.9333 7.2523 7.2523 7.2583 7.2583 8.3887 8.3887 8.5194 8.5194 8.5448 8.5448 9.9999 9.9999 13.9433 13.9433 13.9713 13.9713 14.4196 14.4196 15.5026 15.5026 k = 0.4756 0.5000-0.0000 ( 4822 PWs) bands (ev): -46.2708 -46.2708 -23.0225 -23.0225 -22.5698 -22.5698 -22.4001 -22.4001 -22.3461 -22.3461 -6.6976 -6.6976 -6.5630 -6.5630 -6.4005 -6.4005 -4.9531 -4.9531 -4.0401 -4.0401 -3.9152 -3.9152 5.4661 5.4661 5.5815 5.5815 5.9267 5.9267 7.2521 7.2521 7.2550 7.2550 8.3836 8.3836 8.5222 8.5222 8.5468 8.5468 10.0058 10.0058 13.9526 13.9526 13.9736 13.9736 14.4262 14.4262 15.5045 15.5045 k = 0.4878 0.5000-0.0000 ( 4820 PWs) bands (ev): -46.2708 -46.2708 -23.0226 -23.0226 -22.5695 -22.5695 -22.4004 -22.4004 -22.3462 -22.3462 -6.6821 -6.6821 -6.5739 -6.5739 -6.4041 -6.4041 -4.9522 -4.9522 -4.0398 -4.0398 -3.9148 -3.9148 5.4612 5.4612 5.5769 5.5769 5.9228 5.9228 7.2518 7.2518 7.2532 7.2532 8.3805 8.3805 8.5236 8.5236 8.5482 8.5482 10.0093 10.0093 13.9570 13.9570 13.9762 13.9762 14.4302 14.4302 15.5056 15.5056 k = 0.5000 0.5000-0.0000 ( 4812 PWs) bands (ev): -46.2708 -46.2708 -23.0226 -23.0226 -22.5694 -22.5694 -22.4006 -22.4006 -22.3462 -22.3462 -6.6762 -6.6762 -6.5784 -6.5784 -6.4054 -6.4054 -4.9519 -4.9519 -4.0396 -4.0396 -3.9147 -3.9147 5.4595 5.4595 5.5753 5.5753 5.9216 5.9216 7.2515 7.2515 7.2527 7.2527 8.3795 8.3795 8.5241 8.5241 8.5487 8.5487 10.0105 10.0105 13.9583 13.9583 13.9773 13.9773 14.4316 14.4316 15.5060 15.5060 k = 0.5000 0.5000-0.0000 ( 4812 PWs) bands (ev): -46.2708 -46.2708 -23.0226 -23.0226 -22.5694 -22.5694 -22.4006 -22.4006 -22.3462 -22.3462 -6.6762 -6.6762 -6.5784 -6.5784 -6.4054 -6.4054 -4.9519 -4.9519 -4.0396 -4.0396 -3.9147 -3.9147 5.4595 5.4595 5.5753 5.5753 5.9216 5.9216 7.2515 7.2515 7.2527 7.2527 8.3795 8.3795 8.5241 8.5241 8.5487 8.5487 10.0105 10.0105 13.9583 13.9583 13.9773 13.9773 14.4316 14.4316 15.5060 15.5060 k = 0.4912 0.4912-0.0000 ( 4822 PWs) bands (ev): -46.2708 -46.2708 -23.0226 -23.0226 -22.5695 -22.5695 -22.4004 -22.4004 -22.3462 -22.3462 -6.6823 -6.6823 -6.5738 -6.5738 -6.4041 -6.4041 -4.9522 -4.9522 -4.0398 -4.0398 -3.9148 -3.9148 5.4612 5.4612 5.5769 5.5769 5.9229 5.9229 7.2517 7.2517 7.2533 7.2533 8.3806 8.3806 8.5236 8.5236 8.5482 8.5482 10.0092 10.0092 13.9570 13.9570 13.9760 13.9760 14.4302 14.4302 15.5056 15.5056 k = 0.4825 0.4825-0.0000 ( 4828 PWs) bands (ev): -46.2708 -46.2708 -23.0225 -23.0225 -22.5698 -22.5698 -22.4001 -22.4001 -22.3461 -22.3461 -6.6981 -6.6981 -6.5629 -6.5629 -6.4003 -6.4003 -4.9531 -4.9531 -4.0401 -4.0401 -3.9152 -3.9152 5.4663 5.4663 5.5819 5.5819 5.9268 5.9268 7.2515 7.2515 7.2557 7.2557 8.3838 8.3838 8.5220 8.5220 8.5469 8.5469 10.0056 10.0056 13.9534 13.9534 13.9725 13.9725 14.4260 14.4260 15.5045 15.5045 k = 0.4737 0.4737-0.0000 ( 4828 PWs) bands (ev): -46.2708 -46.2708 -23.0224 -23.0224 -22.5702 -22.5702 -22.3995 -22.3995 -22.3460 -22.3460 -6.7191 -6.7191 -6.5498 -6.5498 -6.3938 -6.3938 -4.9546 -4.9546 -4.0408 -4.0408 -3.9158 -3.9158 5.4746 5.4746 5.5901 5.5901 5.9333 5.9333 7.2509 7.2509 7.2601 7.2601 8.3890 8.3890 8.5186 8.5186 8.5454 8.5454 9.9996 9.9996 13.9473 13.9473 13.9665 13.9665 14.4190 14.4190 15.5025 15.5025 k = 0.4649 0.4649-0.0000 ( 4826 PWs) bands (ev): -46.2708 -46.2708 -23.0223 -23.0223 -22.5708 -22.5708 -22.3987 -22.3987 -22.3458 -22.3458 -6.7430 -6.7430 -6.5372 -6.5372 -6.3848 -6.3848 -4.9567 -4.9567 -4.0417 -4.0417 -3.9166 -3.9166 5.4859 5.4859 5.6019 5.6019 5.9423 5.9423 7.2500 7.2500 7.2662 7.2662 8.3964 8.3964 8.5131 8.5131 8.5443 8.5443 9.9912 9.9912 13.9386 13.9386 13.9584 13.9584 14.4093 14.4093 15.4999 15.4999 k = 0.4561 0.4561-0.0000 ( 4836 PWs) bands (ev): -46.2709 -46.2709 -23.0221 -23.0221 -22.5716 -22.5716 -22.3977 -22.3977 -22.3456 -22.3456 -6.7685 -6.7685 -6.5259 -6.5259 -6.3736 -6.3736 -4.9593 -4.9593 -4.0429 -4.0429 -3.9177 -3.9177 5.5001 5.5001 5.6175 5.6175 5.9539 5.9539 7.2488 7.2488 7.2741 7.2741 8.4057 8.4057 8.5050 8.5050 8.5442 8.5442 9.9805 9.9805 13.9273 13.9273 13.9482 13.9482 14.3967 14.3967 15.4964 15.4964 k = 0.4474 0.4474-0.0000 ( 4844 PWs) bands (ev): -46.2709 -46.2709 -23.0219 -23.0219 -22.5725 -22.5725 -22.3965 -22.3965 -22.3453 -22.3453 -6.7948 -6.7948 -6.5165 -6.5165 -6.3603 -6.3603 -4.9625 -4.9625 -4.0443 -4.0443 -3.9189 -3.9189 5.5167 5.5167 5.6369 5.6369 5.9681 5.9681 7.2475 7.2475 7.2837 7.2837 8.4171 8.4171 8.4947 8.4947 8.5448 8.5448 9.9675 9.9675 13.9132 13.9132 13.9360 13.9360 14.3815 14.3815 15.4921 15.4921 k = 0.4386 0.4386-0.0000 ( 4852 PWs) bands (ev): -46.2709 -46.2709 -23.0216 -23.0216 -22.5735 -22.5735 -22.3952 -22.3952 -22.3450 -22.3450 -6.8215 -6.8215 -6.5086 -6.5086 -6.3458 -6.3458 -4.9662 -4.9662 -4.0460 -4.0460 -3.9203 -3.9203 5.5355 5.5355 5.6606 5.6606 5.9847 5.9847 7.2460 7.2460 7.2950 7.2950 8.4303 8.4303 8.4826 8.4826 8.5463 8.5463 9.9524 9.9524 13.8965 13.8965 13.9218 13.9218 14.3635 14.3635 15.4870 15.4870 k = 0.4298 0.4298-0.0000 ( 4852 PWs) bands (ev): -46.2709 -46.2709 -23.0213 -23.0213 -22.5746 -22.5746 -22.3936 -22.3936 -22.3446 -22.3446 -6.8484 -6.8484 -6.5021 -6.5021 -6.3304 -6.3304 -4.9705 -4.9705 -4.0479 -4.0479 -3.9219 -3.9219 5.5562 5.5562 5.6886 5.6886 6.0037 6.0037 7.2444 7.2444 7.3081 7.3081 8.4451 8.4451 8.4692 8.4692 8.5483 8.5483 9.9352 9.9352 13.8770 13.8770 13.9058 13.9058 14.3429 14.3429 15.4811 15.4811 k = 0.4211 0.4211-0.0000 ( 4845 PWs) bands (ev): -46.2710 -46.2710 -23.0210 -23.0210 -22.5759 -22.5759 -22.3920 -22.3920 -22.3442 -22.3442 -6.8752 -6.8752 -6.4966 -6.4966 -6.3149 -6.3149 -4.9752 -4.9752 -4.0501 -4.0501 -3.9236 -3.9236 5.5785 5.5785 5.7212 5.7212 6.0250 6.0250 7.2426 7.2426 7.3228 7.3228 8.4521 8.4521 8.4642 8.4642 8.5510 8.5510 9.9161 9.9161 13.8548 13.8548 13.8880 13.8880 14.3196 14.3196 15.4743 15.4743 k = 0.4123 0.4123-0.0000 ( 4837 PWs) bands (ev): -46.2710 -46.2710 -23.0206 -23.0206 -22.5772 -22.5772 -22.3902 -22.3902 -22.3437 -22.3437 -6.9018 -6.9018 -6.4919 -6.4919 -6.2995 -6.2995 -4.9803 -4.9803 -4.0526 -4.0526 -3.9255 -3.9255 5.6024 5.6024 5.7582 5.7582 6.0487 6.0487 7.2408 7.2408 7.3393 7.3393 8.4374 8.4374 8.4817 8.4817 8.5543 8.5543 9.8950 9.8950 13.8301 13.8301 13.8682 13.8682 14.2938 14.2938 15.4667 15.4667 k = 0.4035 0.4035-0.0000 ( 4855 PWs) bands (ev): -46.2711 -46.2711 -23.0202 -23.0202 -22.5786 -22.5786 -22.3883 -22.3883 -22.3432 -22.3432 -6.9280 -6.9280 -6.4877 -6.4877 -6.2847 -6.2847 -4.9859 -4.9859 -4.0554 -4.0554 -3.9275 -3.9275 5.6276 5.6276 5.7998 5.7998 6.0746 6.0746 7.2390 7.2390 7.3574 7.3574 8.4213 8.4213 8.5017 8.5017 8.5582 8.5582 9.8723 9.8723 13.8030 13.8030 13.8466 13.8466 14.2655 14.2655 15.4581 15.4581 k = 0.3947 0.3947-0.0000 ( 4849 PWs) bands (ev): -46.2711 -46.2711 -23.0197 -23.0197 -22.5800 -22.5800 -22.3863 -22.3863 -22.3426 -22.3426 -6.9537 -6.9537 -6.4838 -6.4838 -6.2708 -6.2708 -4.9919 -4.9919 -4.0584 -4.0584 -3.9295 -3.9295 5.6542 5.6542 5.8456 5.8456 6.1026 6.1026 7.2372 7.2372 7.3772 7.3772 8.4050 8.4050 8.5231 8.5231 8.5630 8.5630 9.8479 9.8479 13.7734 13.7734 13.8232 13.8232 14.2348 14.2348 15.4487 15.4487 k = 0.3860 0.3860-0.0000 ( 4849 PWs) bands (ev): -46.2712 -46.2712 -23.0192 -23.0192 -22.5815 -22.5815 -22.3842 -22.3842 -22.3420 -22.3420 -6.9788 -6.9788 -6.4802 -6.4802 -6.2579 -6.2579 -4.9983 -4.9983 -4.0617 -4.0617 -3.9317 -3.9317 5.6823 5.6823 5.8955 5.8955 6.1327 6.1327 7.2354 7.2354 7.3987 7.3987 8.3888 8.3888 8.5450 8.5450 8.5693 8.5693 9.8221 9.8221 13.7417 13.7417 13.7978 13.7978 14.2017 14.2017 15.4383 15.4383 k = 0.3772 0.3772-0.0000 ( 4855 PWs) bands (ev): -46.2712 -46.2712 -23.0187 -23.0187 -22.5831 -22.5831 -22.3821 -22.3821 -22.3414 -22.3414 -7.0032 -7.0032 -6.4768 -6.4768 -6.2463 -6.2463 -5.0050 -5.0050 -4.0653 -4.0653 -3.9340 -3.9340 5.7117 5.7117 5.9495 5.9495 6.1646 6.1646 7.2337 7.2337 7.4217 7.4217 8.3732 8.3732 8.5636 8.5636 8.5810 8.5810 9.7950 9.7950 13.7077 13.7077 13.7706 13.7706 14.1663 14.1663 15.4271 15.4271 k = 0.3684 0.3684-0.0000 ( 4855 PWs) bands (ev): -46.2713 -46.2713 -23.0181 -23.0181 -22.5846 -22.5846 -22.3800 -22.3800 -22.3407 -22.3407 -7.0269 -7.0269 -6.4735 -6.4735 -6.2360 -6.2360 -5.0120 -5.0120 -4.0692 -4.0692 -3.9363 -3.9363 5.7425 5.7425 6.0072 6.0072 6.1985 6.1985 7.2321 7.2321 7.4463 7.4463 8.3585 8.3585 8.5742 8.5742 8.6027 8.6027 9.7667 9.7667 13.6717 13.6717 13.7416 13.7416 14.1288 14.1288 15.4149 15.4149 k = 0.3596 0.3596-0.0000 ( 4857 PWs) bands (ev): -46.2714 -46.2714 -23.0175 -23.0175 -22.5861 -22.5861 -22.3778 -22.3778 -22.3400 -22.3400 -7.0498 -7.0498 -6.4702 -6.4702 -6.2272 -6.2272 -5.0192 -5.0192 -4.0734 -4.0734 -3.9388 -3.9388 5.7748 5.7748 6.0685 6.0685 6.2340 6.2340 7.2306 7.2306 7.4725 7.4725 8.3450 8.3450 8.5821 8.5821 8.6290 8.6290 9.7375 9.7375 13.6338 13.6338 13.7107 13.7107 14.0892 14.0892 15.4017 15.4017 k = 0.3509 0.3509-0.0000 ( 4853 PWs) bands (ev): -46.2714 -46.2714 -23.0168 -23.0168 -22.5877 -22.5877 -22.3756 -22.3756 -22.3392 -22.3392 -7.0718 -7.0718 -6.4669 -6.4669 -6.2198 -6.2198 -5.0268 -5.0268 -4.0778 -4.0778 -3.9414 -3.9414 5.8084 5.8084 6.1331 6.1331 6.2711 6.2711 7.2293 7.2293 7.5003 7.5003 8.3332 8.3332 8.5900 8.5900 8.6572 8.6572 9.7074 9.7074 13.5940 13.5940 13.6781 13.6781 14.0477 14.0477 15.3876 15.3876 k = 0.3421 0.3421-0.0000 ( 4861 PWs) bands (ev): -46.2715 -46.2715 -23.0161 -23.0161 -22.5892 -22.5892 -22.3734 -22.3734 -22.3385 -22.3385 -7.0929 -7.0929 -6.4636 -6.4636 -6.2139 -6.2139 -5.0346 -5.0346 -4.0825 -4.0825 -3.9442 -3.9442 5.8433 5.8433 6.2009 6.2009 6.3096 6.3096 7.2281 7.2281 7.5295 7.5295 8.3232 8.3232 8.5984 8.5984 8.6867 8.6867 9.6767 9.6767 13.5526 13.5526 13.6437 13.6437 14.0042 14.0042 15.3725 15.3725 k = 0.3333 0.3333-0.0000 ( 4861 PWs) bands (ev): -46.2716 -46.2716 -23.0153 -23.0153 -22.5907 -22.5907 -22.3713 -22.3713 -22.3377 -22.3377 -7.1130 -7.1130 -6.4603 -6.4603 -6.2096 -6.2096 -5.0426 -5.0426 -4.0874 -4.0874 -3.9471 -3.9471 5.8796 5.8796 6.2717 6.2717 6.3494 6.3494 7.2272 7.2272 7.5602 7.5602 8.3154 8.3154 8.6075 8.6075 8.7173 8.7173 9.6455 9.6455 13.5095 13.5095 13.6075 13.6075 13.9591 13.9591 15.3564 15.3564 k = 0.3246 0.3246-0.0000 ( 4865 PWs) bands (ev): -46.2716 -46.2716 -23.0145 -23.0145 -22.5921 -22.5921 -22.3692 -22.3692 -22.3369 -22.3369 -7.1321 -7.1321 -6.4569 -6.4569 -6.2066 -6.2066 -5.0509 -5.0509 -4.0926 -4.0926 -3.9503 -3.9503 5.9171 5.9171 6.3453 6.3453 6.3905 6.3905 7.2264 7.2264 7.5924 7.5924 8.3101 8.3101 8.6175 8.6175 8.7489 8.7489 9.6141 9.6141 13.4650 13.4650 13.5697 13.5697 13.9122 13.9122 15.3394 15.3394 k = 0.3158 0.3158-0.0000 ( 4865 PWs) bands (ev): -46.2717 -46.2717 -23.0136 -23.0136 -22.5936 -22.5936 -22.3671 -22.3671 -22.3361 -22.3361 -7.1503 -7.1503 -6.4534 -6.4534 -6.2051 -6.2051 -5.0593 -5.0593 -4.0980 -4.0980 -3.9538 -3.9538 5.9558 5.9558 6.4206 6.4206 6.4333 6.4333 7.2259 7.2259 7.6259 7.6259 8.3075 8.3075 8.6283 8.6283 8.7813 8.7813 9.5825 9.5825 13.4191 13.4191 13.5303 13.5303 13.8638 13.8638 15.3214 15.3214 k = 0.3070 0.3070-0.0000 ( 4869 PWs) bands (ev): -46.2718 -46.2718 -23.0127 -23.0127 -22.5949 -22.5949 -22.3650 -22.3650 -22.3353 -22.3353 -7.1674 -7.1674 -6.4499 -6.4499 -6.2050 -6.2050 -5.0680 -5.0680 -4.1036 -4.1036 -3.9575 -3.9575 5.9956 5.9956 6.4740 6.4740 6.5012 6.5012 7.2256 7.2256 7.6608 7.6608 8.3080 8.3080 8.6401 8.6401 8.8145 8.8145 9.5511 9.5511 13.3720 13.3720 13.4893 13.4893 13.8140 13.8140 15.3025 15.3025 k = 0.2982 0.2982-0.0000 ( 4865 PWs) bands (ev): -46.2719 -46.2719 -23.0118 -23.0118 -22.5963 -22.5963 -22.3630 -22.3630 -22.3345 -22.3345 -7.1834 -7.1834 -6.4464 -6.4464 -6.2061 -6.2061 -5.0769 -5.0769 -4.1094 -4.1094 -3.9617 -3.9617 6.0365 6.0365 6.5175 6.5175 6.5817 6.5817 7.2255 7.2255 7.6970 7.6970 8.3117 8.3117 8.6529 8.6529 8.8483 8.8483 9.5199 9.5199 13.3237 13.3237 13.4467 13.4467 13.7628 13.7628 15.2827 15.2827 k = 0.2895 0.2895-0.0000 ( 4863 PWs) bands (ev): -46.2719 -46.2719 -23.0108 -23.0108 -22.5975 -22.5975 -22.3610 -22.3610 -22.3337 -22.3337 -7.1984 -7.1984 -6.4427 -6.4427 -6.2084 -6.2084 -5.0860 -5.0860 -4.1153 -4.1153 -3.9663 -3.9663 6.0784 6.0784 6.5611 6.5611 6.6646 6.6646 7.2257 7.2257 7.7344 7.7344 8.3188 8.3188 8.6667 8.6667 8.8827 8.8827 9.4892 9.4892 13.2745 13.2745 13.4027 13.4027 13.7104 13.7104 15.2619 15.2619 k = 0.2807 0.2807-0.0000 ( 4871 PWs) bands (ev): -46.2720 -46.2720 -23.0098 -23.0098 -22.5988 -22.5988 -22.3591 -22.3591 -22.3330 -22.3330 -7.2124 -7.2124 -6.4391 -6.4391 -6.2117 -6.2117 -5.0953 -5.0953 -4.1213 -4.1213 -3.9714 -3.9714 6.1213 6.1213 6.6049 6.6049 6.7493 6.7493 7.2261 7.2261 7.7730 7.7730 8.3294 8.3294 8.6816 8.6816 8.9176 8.9176 9.4593 9.4593 13.2245 13.2245 13.3573 13.3573 13.6569 13.6569 15.2402 15.2402 k = 0.2719 0.2719-0.0000 ( 4865 PWs) bands (ev): -46.2721 -46.2721 -23.0087 -23.0087 -22.5999 -22.5999 -22.3573 -22.3573 -22.3322 -22.3322 -7.2253 -7.2253 -6.4353 -6.4353 -6.2160 -6.2160 -5.1047 -5.1047 -4.1275 -4.1275 -3.9770 -3.9770 6.1650 6.1650 6.6485 6.6485 6.8356 6.8356 7.2268 7.2268 7.8128 7.8128 8.3438 8.3438 8.6976 8.6976 8.9529 8.9529 9.4302 9.4302 13.1737 13.1737 13.3106 13.3106 13.6023 13.6023 15.2177 15.2177 k = 0.2632 0.2632-0.0000 ( 4865 PWs) bands (ev): -46.2722 -46.2722 -23.0076 -23.0076 -22.6010 -22.6010 -22.3555 -22.3555 -22.3315 -22.3315 -7.2372 -7.2372 -6.4315 -6.4315 -6.2211 -6.2211 -5.1144 -5.1144 -4.1337 -4.1337 -3.9832 -3.9832 6.2096 6.2096 6.6918 6.6918 6.9233 6.9233 7.2277 7.2277 7.8537 7.8537 8.3621 8.3621 8.7147 8.7147 8.9885 8.9885 9.4024 9.4024 13.1224 13.1224 13.2627 13.2627 13.5467 13.5467 15.1943 15.1943 k = 0.2544 0.2544-0.0000 ( 4863 PWs) bands (ev): -46.2723 -46.2723 -23.0065 -23.0065 -22.6021 -22.6021 -22.3537 -22.3537 -22.3308 -22.3308 -7.2481 -7.2481 -6.4277 -6.4277 -6.2270 -6.2270 -5.1243 -5.1243 -4.1399 -4.1399 -3.9899 -3.9899 6.2548 6.2548 6.7347 6.7347 7.0121 7.0121 7.2289 7.2289 7.8955 7.8955 8.3842 8.3842 8.7328 8.7328 9.0243 9.0243 9.3759 9.3759 13.0706 13.0706 13.2136 13.2136 13.4902 13.4902 15.1702 15.1702 k = 0.2456 0.2456-0.0000 ( 4863 PWs) bands (ev): -46.2724 -46.2724 -23.0053 -23.0053 -22.6031 -22.6031 -22.3520 -22.3520 -22.3302 -22.3302 -7.2580 -7.2580 -6.4238 -6.4238 -6.2334 -6.2334 -5.1345 -5.1345 -4.1462 -4.1462 -3.9973 -3.9973 6.3007 6.3007 6.7767 6.7767 7.1018 7.1018 7.2303 7.2303 7.9383 7.9383 8.4103 8.4103 8.7519 8.7519 9.0603 9.0603 9.3511 9.3511 13.0186 13.0186 13.1634 13.1634 13.4329 13.4329 15.1452 15.1452 k = 0.2368 0.2368-0.0000 ( 4859 PWs) bands (ev): -46.2724 -46.2724 -23.0041 -23.0041 -22.6040 -22.6040 -22.3504 -22.3504 -22.3296 -22.3296 -7.2669 -7.2669 -6.4198 -6.4198 -6.2403 -6.2403 -5.1448 -5.1448 -4.1524 -4.1524 -4.0053 -4.0053 6.3471 6.3471 6.8178 6.8178 7.1915 7.1915 7.2328 7.2328 7.9819 7.9819 8.4404 8.4404 8.7718 8.7718 9.0963 9.0963 9.3284 9.3284 12.9663 12.9663 13.1123 13.1123 13.3748 13.3748 15.1196 15.1196 k = 0.2281 0.2281-0.0000 ( 4859 PWs) bands (ev): -46.2725 -46.2725 -23.0029 -23.0029 -22.6048 -22.6048 -22.3488 -22.3488 -22.3290 -22.3290 -7.2750 -7.2750 -6.4158 -6.4158 -6.2475 -6.2475 -5.1553 -5.1553 -4.1587 -4.1587 -4.0139 -4.0139 6.3940 6.3940 6.8577 6.8577 7.2323 7.2323 7.2847 7.2847 8.0263 8.0263 8.4744 8.4744 8.7925 8.7925 9.1322 9.1322 9.3080 9.3080 12.9140 12.9140 13.0604 13.0604 13.3161 13.3161 15.0933 15.0933 k = 0.2193 0.2193-0.0000 ( 4865 PWs) bands (ev): -46.2726 -46.2726 -23.0017 -23.0017 -22.6056 -22.6056 -22.3473 -22.3473 -22.3285 -22.3285 -7.2822 -7.2822 -6.4119 -6.4119 -6.2550 -6.2550 -5.1660 -5.1660 -4.1648 -4.1648 -4.0231 -4.0231 6.4412 6.4412 6.8962 6.8962 7.2349 7.2349 7.3752 7.3752 8.0713 8.0713 8.5123 8.5123 8.8135 8.8135 9.1679 9.1679 9.2905 9.2905 12.8618 12.8618 13.0077 13.0077 13.2567 13.2567 15.0664 15.0664 k = 0.2105 0.2105-0.0000 ( 4873 PWs) bands (ev): -46.2727 -46.2727 -23.0004 -23.0004 -22.6064 -22.6064 -22.3458 -22.3458 -22.3281 -22.3281 -7.2885 -7.2885 -6.4078 -6.4078 -6.2625 -6.2625 -5.1769 -5.1769 -4.1709 -4.1709 -4.0330 -4.0330 6.4887 6.4887 6.9331 6.9331 7.2372 7.2372 7.4663 7.4663 8.1169 8.1169 8.5540 8.5540 8.8344 8.8344 9.2030 9.2030 9.2767 9.2767 12.8099 12.8099 12.9545 12.9545 13.1967 13.1967 15.0390 15.0390 k = 0.2018 0.2018-0.0000 ( 4871 PWs) bands (ev): -46.2728 -46.2728 -22.9992 -22.9992 -22.6071 -22.6071 -22.3444 -22.3444 -22.3277 -22.3277 -7.2941 -7.2941 -6.4038 -6.4038 -6.2700 -6.2700 -5.1880 -5.1880 -4.1769 -4.1769 -4.0434 -4.0434 6.5363 6.5363 6.9683 6.9683 7.2396 7.2396 7.5571 7.5571 8.1630 8.1630 8.5993 8.5993 8.8548 8.8548 9.2359 9.2359 9.2687 9.2687 12.7583 12.7583 12.9007 12.9007 13.1363 13.1363 15.0111 15.0111 k = 0.1930 0.1930-0.0000 ( 4859 PWs) bands (ev): -46.2728 -46.2728 -22.9979 -22.9979 -22.6077 -22.6077 -22.3431 -22.3431 -22.3273 -22.3273 -7.2989 -7.2989 -6.3998 -6.3998 -6.2774 -6.2774 -5.1993 -5.1993 -4.1828 -4.1828 -4.0543 -4.0543 6.5840 6.5840 7.0015 7.0015 7.2421 7.2421 7.6474 7.6474 8.2094 8.2094 8.6481 8.6481 8.8740 8.8740 9.2526 9.2526 9.2811 9.2811 12.7073 12.7073 12.8467 12.8467 13.0754 13.0754 14.9829 14.9829 k = 0.1842 0.1842-0.0000 ( 4857 PWs) bands (ev): -46.2729 -46.2729 -22.9967 -22.9967 -22.6083 -22.6083 -22.3418 -22.3418 -22.3271 -22.3271 -7.3031 -7.3031 -6.3958 -6.3958 -6.2846 -6.2846 -5.2106 -5.2106 -4.1885 -4.1885 -4.0657 -4.0657 6.6315 6.6315 7.0326 7.0326 7.2448 7.2448 7.7369 7.7369 8.2560 8.2560 8.7002 8.7002 8.8912 8.8912 9.2548 9.2548 9.3126 9.3126 12.6569 12.6569 12.7926 12.7926 13.0142 13.0142 14.9543 14.9543 k = 0.1754 0.1754-0.0000 ( 4861 PWs) bands (ev): -46.2730 -46.2730 -22.9954 -22.9954 -22.6088 -22.6088 -22.3405 -22.3405 -22.3268 -22.3268 -7.3066 -7.3066 -6.3919 -6.3919 -6.2915 -6.2915 -5.2221 -5.2221 -4.1940 -4.1940 -4.0774 -4.0774 6.6787 6.6787 7.0616 7.0616 7.2477 7.2477 7.8254 7.8254 8.3027 8.3027 8.7553 8.7553 8.9059 8.9059 9.2603 9.2603 9.3461 9.3461 12.6074 12.6074 12.7384 12.7384 12.9526 12.9526 14.9256 14.9256 k = 0.1667 0.1667-0.0000 ( 4843 PWs) bands (ev): -46.2731 -46.2731 -22.9942 -22.9942 -22.6093 -22.6093 -22.3393 -22.3393 -22.3267 -22.3267 -7.3096 -7.3096 -6.3879 -6.3879 -6.2980 -6.2980 -5.2337 -5.2337 -4.1994 -4.1994 -4.0895 -4.0895 6.7255 6.7255 7.0884 7.0884 7.2508 7.2508 7.9126 7.9126 8.3492 8.3492 8.8132 8.8132 8.9176 8.9176 9.2714 9.2714 9.3794 9.3794 12.5588 12.5588 12.6845 12.6845 12.8909 12.8909 14.8968 14.8968 k = 0.1579 0.1579-0.0000 ( 4855 PWs) bands (ev): -46.2731 -46.2731 -22.9929 -22.9929 -22.6097 -22.6097 -22.3382 -22.3382 -22.3265 -22.3265 -7.3121 -7.3121 -6.3840 -6.3840 -6.3041 -6.3041 -5.2453 -5.2453 -4.2046 -4.2046 -4.1019 -4.1019 6.7717 6.7717 7.1129 7.1129 7.2540 7.2540 7.9982 7.9982 8.3955 8.3955 8.8732 8.8732 8.9263 8.9263 9.2883 9.2883 9.4122 9.4122 12.5113 12.5113 12.6310 12.6310 12.8290 12.8290 14.8681 14.8681 k = 0.1491 0.1491-0.0000 ( 4865 PWs) bands (ev): -46.2732 -46.2732 -22.9917 -22.9917 -22.6101 -22.6101 -22.3371 -22.3371 -22.3265 -22.3265 -7.3142 -7.3142 -6.3802 -6.3802 -6.3097 -6.3097 -5.2570 -5.2570 -4.2096 -4.2096 -4.1144 -4.1144 6.8170 6.8170 7.1351 7.1351 7.2574 7.2574 8.0820 8.0820 8.4414 8.4414 8.9288 8.9288 8.9387 8.9387 9.3105 9.3105 9.4443 9.4443 12.4651 12.4651 12.5780 12.5780 12.7671 12.7671 14.8395 14.8395 k = 0.1404 0.1404-0.0000 ( 4865 PWs) bands (ev): -46.2733 -46.2733 -22.9905 -22.9905 -22.6104 -22.6104 -22.3361 -22.3361 -22.3264 -22.3264 -7.3158 -7.3158 -6.3764 -6.3764 -6.3147 -6.3147 -5.2685 -5.2685 -4.2144 -4.2144 -4.1269 -4.1269 6.8613 6.8613 7.1551 7.1551 7.2609 7.2609 8.1637 8.1637 8.4866 8.4866 8.9346 8.9346 9.0000 9.0000 9.3373 9.3373 9.4755 9.4755 12.4202 12.4202 12.5259 12.5259 12.7054 12.7054 14.8112 14.8112 k = 0.1316 0.1316-0.0000 ( 4869 PWs) bands (ev): -46.2733 -46.2733 -22.9894 -22.9894 -22.6107 -22.6107 -22.3351 -22.3351 -22.3264 -22.3264 -7.3171 -7.3171 -6.3727 -6.3727 -6.3193 -6.3193 -5.2800 -5.2800 -4.2189 -4.2189 -4.1394 -4.1394 6.9044 6.9044 7.1729 7.1729 7.2647 7.2647 8.2432 8.2432 8.5310 8.5310 8.9362 8.9362 9.0648 9.0648 9.3678 9.3678 9.5057 9.5057 12.3770 12.3770 12.4749 12.4749 12.6439 12.6439 14.7833 14.7833 k = 0.1228 0.1228-0.0000 ( 4867 PWs) bands (ev): -46.2734 -46.2734 -22.9883 -22.9883 -22.6110 -22.6110 -22.3342 -22.3342 -22.3265 -22.3265 -7.3182 -7.3182 -6.3691 -6.3691 -6.3232 -6.3232 -5.2913 -5.2913 -4.2232 -4.2232 -4.1517 -4.1517 6.9460 6.9460 7.1886 7.1886 7.2686 7.2686 8.3200 8.3200 8.5744 8.5744 8.9365 8.9365 9.1303 9.1303 9.4010 9.4010 9.5349 9.5349 12.3354 12.3354 12.4252 12.4252 12.5831 12.5831 14.7560 14.7560 k = 0.1140 0.1140-0.0000 ( 4869 PWs) bands (ev): -46.2735 -46.2735 -22.9872 -22.9872 -22.6112 -22.6112 -22.3333 -22.3333 -22.3266 -22.3266 -7.3189 -7.3189 -6.3656 -6.3656 -6.3266 -6.3266 -5.3024 -5.3024 -4.2272 -4.2272 -4.1638 -4.1638 6.9858 6.9858 7.2023 7.2023 7.2727 7.2727 8.3938 8.3938 8.6165 8.6165 8.9360 8.9360 9.1958 9.1958 9.4360 9.4360 9.5629 9.5629 12.2957 12.2957 12.3771 12.3771 12.5230 12.5230 14.7295 14.7295 k = 0.1053 0.1053-0.0000 ( 4865 PWs) bands (ev): -46.2735 -46.2735 -22.9862 -22.9862 -22.6114 -22.6114 -22.3325 -22.3325 -22.3267 -22.3267 -7.3195 -7.3195 -6.3623 -6.3623 -6.3295 -6.3295 -5.3132 -5.3132 -4.2310 -4.2310 -4.1755 -4.1755 7.0235 7.0235 7.2144 7.2144 7.2769 7.2769 8.4645 8.4645 8.6570 8.6570 8.9351 8.9351 9.2607 9.2607 9.4719 9.4719 9.5896 9.5896 12.2581 12.2581 12.3308 12.3308 12.4640 12.4640 14.7038 14.7038 k = 0.0965 0.0965-0.0000 ( 4863 PWs) bands (ev): -46.2736 -46.2736 -22.9852 -22.9852 -22.6116 -22.6116 -22.3318 -22.3318 -22.3268 -22.3268 -7.3199 -7.3199 -6.3590 -6.3590 -6.3319 -6.3319 -5.3236 -5.3236 -4.2345 -4.2345 -4.1867 -4.1867 7.0588 7.0588 7.2249 7.2249 7.2811 7.2811 8.5316 8.5316 8.6958 8.6958 8.9340 8.9340 9.3244 9.3244 9.5081 9.5081 9.6150 9.6150 12.2226 12.2226 12.2867 12.2867 12.4064 12.4064 14.6793 14.6793 k = 0.0877 0.0877-0.0000 ( 4863 PWs) bands (ev): -46.2736 -46.2736 -22.9843 -22.9843 -22.6117 -22.6117 -22.3311 -22.3311 -22.3269 -22.3269 -7.3202 -7.3202 -6.3560 -6.3560 -6.3338 -6.3338 -5.3335 -5.3335 -4.2377 -4.2377 -4.1973 -4.1973 7.0914 7.0914 7.2344 7.2344 7.2853 7.2853 8.5948 8.5948 8.7325 8.7325 8.9328 8.9328 9.3860 9.3860 9.5438 9.5438 9.6389 9.6389 12.1894 12.1894 12.2451 12.2451 12.3508 12.3508 14.6560 14.6560 k = 0.0789 0.0789-0.0000 ( 4871 PWs) bands (ev): -46.2737 -46.2737 -22.9835 -22.9835 -22.6119 -22.6119 -22.3305 -22.3305 -22.3270 -22.3270 -7.3204 -7.3204 -6.3530 -6.3530 -6.3354 -6.3354 -5.3428 -5.3428 -4.2407 -4.2407 -4.2073 -4.2073 7.1208 7.1208 7.2431 7.2431 7.2893 7.2893 8.6537 8.6537 8.7668 8.7668 8.9318 8.9318 9.4449 9.4449 9.5785 9.5785 9.6613 9.6613 12.1587 12.1587 12.2061 12.2061 12.2975 12.2975 14.6341 14.6341 k = 0.0702 0.0702-0.0000 ( 4875 PWs) bands (ev): -46.2737 -46.2737 -22.9828 -22.9828 -22.6120 -22.6120 -22.3299 -22.3299 -22.3272 -22.3272 -7.3205 -7.3205 -6.3503 -6.3503 -6.3365 -6.3365 -5.3515 -5.3515 -4.2433 -4.2433 -4.2164 -4.2164 7.1466 7.1466 7.2516 7.2516 7.2931 7.2931 8.7079 8.7079 8.7986 8.7986 8.9309 8.9309 9.5001 9.5001 9.6116 9.6116 9.6820 9.6820 12.1306 12.1306 12.1702 12.1702 12.2473 12.2473 14.6139 14.6139 k = 0.0614 0.0614-0.0000 ( 4883 PWs) bands (ev): -46.2737 -46.2737 -22.9821 -22.9821 -22.6121 -22.6121 -22.3295 -22.3295 -22.3273 -22.3273 -7.3206 -7.3206 -6.3478 -6.3478 -6.3374 -6.3374 -5.3595 -5.3595 -4.2457 -4.2457 -4.2248 -4.2248 7.1684 7.1684 7.2603 7.2603 7.2965 7.2965 8.7569 8.7569 8.8274 8.8274 8.9302 8.9302 9.5506 9.5506 9.6427 9.6427 9.7011 9.7011 12.1052 12.1052 12.1377 12.1377 12.2008 12.2008 14.5955 14.5955 k = 0.0526 0.0526-0.0000 ( 4887 PWs) bands (ev): -46.2738 -46.2738 -22.9815 -22.9815 -22.6121 -22.6121 -22.3290 -22.3290 -22.3274 -22.3274 -7.3207 -7.3207 -6.3456 -6.3456 -6.3380 -6.3380 -5.3666 -5.3666 -4.2477 -4.2477 -4.2321 -4.2321 7.1858 7.1858 7.2694 7.2694 7.2995 7.2995 8.8004 8.8004 8.8531 8.8531 8.9297 8.9297 9.5953 9.5953 9.6716 9.6716 9.7184 9.7184 12.0826 12.0826 12.1086 12.1086 12.1587 12.1587 14.5791 14.5791 k = 0.0439 0.0439-0.0000 ( 4901 PWs) bands (ev): -46.2738 -46.2738 -22.9810 -22.9810 -22.6122 -22.6122 -22.3287 -22.3287 -22.3275 -22.3275 -7.3207 -7.3207 -6.3436 -6.3436 -6.3384 -6.3384 -5.3728 -5.3728 -4.2494 -4.2494 -4.2385 -4.2385 7.1989 7.1989 7.2788 7.2788 7.3021 7.3021 8.8378 8.8378 8.8753 8.8753 8.9295 8.9295 9.6330 9.6330 9.6982 9.6982 9.7339 9.7339 12.0629 12.0629 12.0831 12.0831 12.1221 12.1221 14.5648 14.5648 k = 0.0351 0.0351-0.0000 ( 4901 PWs) bands (ev): -46.2738 -46.2738 -22.9805 -22.9805 -22.6123 -22.6123 -22.3284 -22.3284 -22.3276 -22.3276 -7.3207 -7.3207 -6.3420 -6.3420 -6.3386 -6.3386 -5.3780 -5.3780 -4.2509 -4.2509 -4.2438 -4.2438 7.2083 7.2083 7.2880 7.2880 7.3042 7.3042 8.8689 8.8689 8.8937 8.8937 8.9296 8.9296 9.6628 9.6628 9.7224 9.7224 9.7473 9.7473 12.0463 12.0463 12.0611 12.0611 12.0920 12.0920 14.5530 14.5530 k = 0.0263 0.0263-0.0000 ( 4901 PWs) bands (ev): -46.2738 -46.2738 -22.9802 -22.9802 -22.6123 -22.6123 -22.3281 -22.3281 -22.3277 -22.3277 -7.3207 -7.3207 -6.3407 -6.3407 -6.3388 -6.3388 -5.3821 -5.3821 -4.2520 -4.2520 -4.2480 -4.2480 7.2147 7.2147 7.2961 7.2961 7.3058 7.3058 8.8929 8.8929 8.9080 8.9080 8.9305 8.9305 9.6845 9.6845 9.7434 9.7434 9.7584 9.7584 12.0329 12.0329 12.0425 12.0425 12.0693 12.0693 14.5435 14.5435 k = 0.0175 0.0175-0.0000 ( 4917 PWs) bands (ev): -46.2738 -46.2738 -22.9800 -22.9800 -22.6123 -22.6123 -22.3280 -22.3280 -22.3278 -22.3278 -7.3206 -7.3206 -6.3397 -6.3397 -6.3389 -6.3389 -5.3851 -5.3851 -4.2528 -4.2528 -4.2510 -4.2510 7.2188 7.2188 7.3025 7.3025 7.3069 7.3069 8.9097 8.9097 8.9172 8.9172 8.9329 8.9329 9.6989 9.6989 9.7598 9.7598 9.7668 9.7668 12.0230 12.0230 12.0277 12.0277 12.0542 12.0542 14.5367 14.5367 k = 0.0088 0.0088-0.0000 ( 4945 PWs) bands (ev): -46.2738 -46.2738 -22.9798 -22.9798 -22.6123 -22.6123 -22.3279 -22.3279 -22.3278 -22.3278 -7.3206 -7.3206 -6.3391 -6.3391 -6.3389 -6.3389 -5.3869 -5.3869 -4.2532 -4.2532 -4.2528 -4.2528 7.2211 7.2211 7.3065 7.3065 7.3076 7.3076 8.9192 8.9192 8.9213 8.9213 8.9365 8.9365 9.7071 9.7071 9.7703 9.7703 9.7720 9.7720 12.0169 12.0169 12.0182 12.0182 12.0457 12.0457 14.5326 14.5326 k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -46.2738 -46.2738 -22.9798 -22.9798 -22.6123 -22.6123 -22.3278 -22.3278 -22.3278 -22.3278 -7.3206 -7.3206 -6.3389 -6.3389 -6.3389 -6.3389 -5.3875 -5.3875 -4.2534 -4.2534 -4.2534 -4.2534 7.2218 7.2218 7.3078 7.3078 7.3078 7.3078 8.9222 8.9222 8.9222 8.9222 8.9383 8.9383 9.7097 9.7097 9.7738 9.7738 9.7738 9.7738 12.0148 12.0148 12.0148 12.0149 12.0430 12.0430 14.5312 14.5312 k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -46.2738 -46.2738 -22.9798 -22.9798 -22.6123 -22.6123 -22.3278 -22.3278 -22.3278 -22.3278 -7.3206 -7.3206 -6.3389 -6.3389 -6.3389 -6.3389 -5.3875 -5.3875 -4.2534 -4.2534 -4.2534 -4.2534 7.2218 7.2218 7.3078 7.3078 7.3078 7.3078 8.9222 8.9222 8.9222 8.9222 8.9383 8.9383 9.7097 9.7097 9.7738 9.7738 9.7738 9.7738 12.0148 12.0148 12.0148 12.0148 12.0430 12.0430 14.5312 14.5312 k = 0.0071 0.0071 0.0071 ( 4945 PWs) bands (ev): -46.2738 -46.2738 -22.9798 -22.9798 -22.6123 -22.6123 -22.3279 -22.3279 -22.3278 -22.3278 -7.3206 -7.3206 -6.3391 -6.3391 -6.3389 -6.3389 -5.3869 -5.3869 -4.2532 -4.2532 -4.2528 -4.2528 7.2211 7.2211 7.3065 7.3065 7.3076 7.3076 8.9191 8.9191 8.9213 8.9213 8.9366 8.9366 9.7071 9.7071 9.7705 9.7705 9.7718 9.7718 12.0173 12.0173 12.0178 12.0178 12.0457 12.0457 14.5339 14.5339 k = 0.0143 0.0143 0.0143 ( 4927 PWs) bands (ev): -46.2738 -46.2738 -22.9800 -22.9800 -22.6123 -22.6123 -22.3280 -22.3280 -22.3278 -22.3278 -7.3206 -7.3206 -6.3396 -6.3396 -6.3389 -6.3389 -5.3851 -5.3851 -4.2526 -4.2526 -4.2511 -4.2511 7.2188 7.2188 7.3026 7.3026 7.3068 7.3068 8.9098 8.9098 8.9162 8.9162 8.9340 8.9340 9.6992 9.6992 9.7608 9.7608 9.7657 9.7657 12.0246 12.0246 12.0264 12.0264 12.0537 12.0537 14.5420 14.5420 k = 0.0214 0.0214 0.0214 ( 4915 PWs) bands (ev): -46.2738 -46.2738 -22.9802 -22.9802 -22.6123 -22.6123 -22.3281 -22.3281 -22.3277 -22.3277 -7.3206 -7.3206 -6.3405 -6.3405 -6.3390 -6.3390 -5.3821 -5.3821 -4.2517 -4.2517 -4.2483 -4.2483 7.2148 7.2148 7.2964 7.2964 7.3055 7.3055 8.8944 8.8944 8.9030 8.9030 8.9343 8.9343 9.6855 9.6855 9.7454 9.7454 9.7558 9.7558 12.0366 12.0366 12.0406 12.0406 12.0671 12.0671 14.5554 14.5554 k = 0.0286 0.0286 0.0286 ( 4903 PWs) bands (ev): -46.2738 -46.2738 -22.9805 -22.9805 -22.6123 -22.6123 -22.3284 -22.3284 -22.3276 -22.3276 -7.3206 -7.3206 -6.3416 -6.3416 -6.3391 -6.3391 -5.3780 -5.3780 -4.2504 -4.2504 -4.2444 -4.2444 7.2086 7.2086 7.2885 7.2885 7.3036 7.3036 8.8732 8.8732 8.8826 8.8826 8.9371 8.9371 9.6654 9.6654 9.7254 9.7254 9.7421 9.7421 12.0528 12.0528 12.0602 12.0602 12.0856 12.0856 14.5740 14.5740 k = 0.0357 0.0357 0.0357 ( 4885 PWs) bands (ev): -46.2738 -46.2738 -22.9810 -22.9810 -22.6122 -22.6122 -22.3287 -22.3287 -22.3275 -22.3275 -7.3205 -7.3205 -6.3431 -6.3431 -6.3391 -6.3391 -5.3728 -5.3728 -4.2487 -4.2487 -4.2394 -4.2394 7.1996 7.1996 7.2793 7.2793 7.3011 7.3011 8.8464 8.8464 8.8559 8.8559 8.9414 8.9414 9.6381 9.6381 9.7022 9.7022 9.7250 9.7250 12.0731 12.0731 12.0847 12.0847 12.1091 12.1091 14.5977 14.5977 k = 0.0429 0.0429 0.0429 ( 4879 PWs) bands (ev): -46.2738 -46.2738 -22.9815 -22.9815 -22.6121 -22.6121 -22.3291 -22.3291 -22.3274 -22.3274 -7.3203 -7.3203 -6.3448 -6.3448 -6.3392 -6.3392 -5.3666 -5.3666 -4.2467 -4.2467 -4.2333 -4.2333 7.1870 7.1870 7.2699 7.2699 7.2981 7.2981 8.8143 8.8143 8.8238 8.8238 8.9469 8.9469 9.6030 9.6030 9.6772 9.6772 9.7048 9.7048 12.0971 12.0971 12.1137 12.1137 12.1372 12.1372 14.6264 14.6264 k = 0.0500 0.0500 0.0500 ( 4873 PWs) bands (ev): -46.2737 -46.2737 -22.9821 -22.9821 -22.6121 -22.6121 -22.3295 -22.3295 -22.3272 -22.3272 -7.3200 -7.3200 -6.3468 -6.3468 -6.3392 -6.3392 -5.3594 -5.3594 -4.2444 -4.2444 -4.2263 -4.2263 7.1703 7.1703 7.2607 7.2607 7.2944 7.2944 8.7773 8.7773 8.7867 8.7867 8.9536 8.9536 9.5604 9.5604 9.6508 9.6508 9.6818 9.6818 12.1244 12.1244 12.1468 12.1468 12.1696 12.1696 14.6599 14.6599 k = 0.0571 0.0571 0.0571 ( 4867 PWs) bands (ev): -46.2737 -46.2737 -22.9827 -22.9827 -22.6120 -22.6120 -22.3301 -22.3301 -22.3271 -22.3271 -7.3195 -7.3195 -6.3489 -6.3489 -6.3392 -6.3392 -5.3513 -5.3513 -4.2418 -4.2418 -4.2183 -4.2183 7.1493 7.1493 7.2521 7.2521 7.2901 7.2901 8.7359 8.7359 8.7449 8.7449 8.9613 8.9613 9.5110 9.5110 9.6233 9.6233 9.6565 9.6565 12.1548 12.1548 12.1836 12.1836 12.2057 12.2057 14.6980 14.6980 k = 0.0643 0.0643 0.0643 ( 4861 PWs) bands (ev): -46.2737 -46.2737 -22.9835 -22.9835 -22.6118 -22.6118 -22.3306 -22.3306 -22.3270 -22.3270 -7.3187 -7.3187 -6.3512 -6.3512 -6.3391 -6.3391 -5.3424 -5.3424 -4.2390 -4.2390 -4.2095 -4.2095 7.1242 7.1242 7.2440 7.2440 7.2851 7.2851 8.6903 8.6903 8.6990 8.6990 8.9701 8.9701 9.4557 9.4557 9.5945 9.5945 9.6291 9.6291 12.1882 12.1882 12.2235 12.2235 12.2451 12.2451 14.7405 14.7405 k = 0.0714 0.0714 0.0714 ( 4860 PWs) bands (ev): -46.2736 -46.2736 -22.9843 -22.9843 -22.6117 -22.6117 -22.3313 -22.3313 -22.3269 -22.3269 -7.3177 -7.3177 -6.3536 -6.3536 -6.3390 -6.3390 -5.3329 -5.3329 -4.2360 -4.2360 -4.1998 -4.1998 7.0954 7.0954 7.2362 7.2362 7.2793 7.2793 8.6412 8.6412 8.6494 8.6494 8.9798 8.9798 9.3952 9.3952 9.5646 9.5646 9.6000 9.6000 12.2241 12.2241 12.2662 12.2662 12.2873 12.2873 14.7872 14.7872 k = 0.0786 0.0786 0.0786 ( 4863 PWs) bands (ev): -46.2736 -46.2736 -22.9852 -22.9852 -22.6115 -22.6115 -22.3320 -22.3320 -22.3268 -22.3268 -7.3164 -7.3164 -6.3561 -6.3561 -6.3388 -6.3388 -5.3228 -5.3228 -4.2328 -4.2328 -4.1894 -4.1894 7.0632 7.0632 7.2283 7.2283 7.2728 7.2728 8.5889 8.5889 8.5966 8.5966 8.9906 8.9906 9.3301 9.3301 9.5339 9.5339 9.5696 9.5696 12.2626 12.2626 12.3112 12.3112 12.3320 12.3320 14.8380 14.8380 k = 0.0857 0.0857 0.0857 ( 4860 PWs) bands (ev): -46.2735 -46.2735 -22.9861 -22.9861 -22.6113 -22.6113 -22.3328 -22.3328 -22.3267 -22.3267 -7.3146 -7.3146 -6.3586 -6.3586 -6.3385 -6.3385 -5.3121 -5.3121 -4.2295 -4.2295 -4.1783 -4.1783 7.0282 7.0282 7.2202 7.2202 7.2653 7.2653 8.5338 8.5338 8.5410 8.5410 9.0023 9.0023 9.2612 9.2612 9.5024 9.5024 9.5383 9.5383 12.3032 12.3032 12.3582 12.3582 12.3786 12.3786 14.8924 14.8924 k = 0.0929 0.0929 0.0929 ( 4866 PWs) bands (ev): -46.2735 -46.2735 -22.9871 -22.9871 -22.6111 -22.6111 -22.3336 -22.3336 -22.3267 -22.3267 -7.3124 -7.3124 -6.3610 -6.3610 -6.3381 -6.3381 -5.3011 -5.3011 -4.2261 -4.2261 -4.1666 -4.1666 6.9905 6.9905 7.2116 7.2116 7.2570 7.2570 8.4764 8.4764 8.4829 8.4829 9.0149 9.0149 9.1887 9.1887 9.4706 9.4706 9.5065 9.5065 12.3459 12.3459 12.4068 12.4068 12.4270 12.4270 14.9504 14.9504 k = 0.1000 0.1000 0.1000 ( 4857 PWs) bands (ev): -46.2734 -46.2734 -22.9882 -22.9882 -22.6108 -22.6108 -22.3345 -22.3345 -22.3267 -22.3267 -7.3096 -7.3096 -6.3634 -6.3634 -6.3375 -6.3375 -5.2898 -5.2898 -4.2227 -4.2227 -4.1544 -4.1544 6.9506 6.9506 7.2024 7.2024 7.2477 7.2477 8.4171 8.4171 8.4229 8.4229 9.0285 9.0285 9.1133 9.1133 9.4386 9.4386 9.4744 9.4744 12.3905 12.3905 12.4567 12.4567 12.4767 12.4767 15.0116 15.0117 k = 0.1071 0.1071 0.1071 ( 4863 PWs) bands (ev): -46.2733 -46.2733 -22.9893 -22.9893 -22.6105 -22.6105 -22.3355 -22.3355 -22.3267 -22.3267 -7.3063 -7.3063 -6.3657 -6.3657 -6.3367 -6.3367 -5.2783 -5.2783 -4.2192 -4.2192 -4.1418 -4.1418 6.9088 6.9088 7.1924 7.1924 7.2374 7.2374 8.3562 8.3562 8.3612 8.3612 9.0341 9.0341 9.0442 9.0442 9.4068 9.4068 9.4424 9.4424 12.4368 12.4368 12.5077 12.5077 12.5275 12.5275 15.0759 15.0759 k = 0.1143 0.1143 0.1143 ( 4857 PWs) bands (ev): -46.2733 -46.2733 -22.9904 -22.9904 -22.6101 -22.6101 -22.3365 -22.3365 -22.3269 -22.3269 -7.3023 -7.3023 -6.3678 -6.3678 -6.3358 -6.3358 -5.2668 -5.2668 -4.2159 -4.2159 -4.1290 -4.1290 6.8653 6.8653 7.1815 7.1815 7.2259 7.2259 8.2941 8.2941 8.2983 8.2983 8.9548 8.9548 9.0586 9.0586 9.3755 9.3755 9.4108 9.4108 12.4847 12.4847 12.5595 12.5595 12.5793 12.5793 15.1434 15.1441 k = 0.1214 0.1214 0.1214 ( 4857 PWs) bands (ev): -46.2732 -46.2732 -22.9916 -22.9916 -22.6097 -22.6097 -22.3375 -22.3375 -22.3271 -22.3271 -7.2976 -7.2976 -6.3697 -6.3697 -6.3346 -6.3346 -5.2552 -5.2552 -4.2126 -4.2126 -4.1159 -4.1159 6.8205 6.8205 7.1695 7.1695 7.2133 7.2133 8.2311 8.2311 8.2344 8.2344 8.8726 8.8726 9.0748 9.0748 9.3450 9.3450 9.3799 9.3799 12.5340 12.5340 12.6121 12.6121 12.6317 12.6317 15.2127 15.2128 k = 0.1286 0.1286 0.1286 ( 4857 PWs) bands (ev): -46.2731 -46.2731 -22.9928 -22.9928 -22.6092 -22.6092 -22.3386 -22.3386 -22.3274 -22.3274 -7.2921 -7.2921 -6.3714 -6.3714 -6.3333 -6.3333 -5.2438 -5.2438 -4.2095 -4.2095 -4.1027 -4.1027 6.7745 6.7745 7.1565 7.1565 7.1995 7.1995 8.1675 8.1675 8.1699 8.1699 8.7887 8.7887 9.0919 9.0919 9.3155 9.3155 9.3501 9.3501 12.5846 12.5846 12.6651 12.6651 12.6846 12.6846 15.2851 15.2860 k = 0.1357 0.1357 0.1357 ( 4851 PWs) bands (ev): -46.2731 -46.2731 -22.9940 -22.9940 -22.6086 -22.6086 -22.3398 -22.3398 -22.3277 -22.3277 -7.2858 -7.2858 -6.3729 -6.3729 -6.3316 -6.3316 -5.2326 -5.2326 -4.2066 -4.2066 -4.0896 -4.0896 6.7278 6.7278 7.1423 7.1423 7.1844 7.1844 8.1035 8.1035 8.1049 8.1049 8.7036 8.7036 9.1098 9.1098 9.2874 9.2874 9.3215 9.3215 12.6363 12.6363 12.7185 12.7185 12.7380 12.7380 15.3592 15.3595 k = 0.1429 0.1429 0.1429 ( 4857 PWs) bands (ev): -46.2730 -46.2730 -22.9953 -22.9953 -22.6080 -22.6080 -22.3410 -22.3410 -22.3282 -22.3282 -7.2787 -7.2787 -6.3740 -6.3740 -6.3297 -6.3297 -5.2217 -5.2217 -4.2039 -4.2039 -4.0765 -4.0765 6.6805 6.6805 7.1269 7.1269 7.1680 7.1680 8.0394 8.0394 8.0398 8.0398 8.6173 8.6173 9.1284 9.1284 9.2609 9.2609 9.2945 9.2945 12.6891 12.6891 12.7722 12.7722 12.7916 12.7916 15.4354 15.4368 k = 0.1500 0.1500 0.1500 ( 4854 PWs) bands (ev): -46.2729 -46.2729 -22.9965 -22.9965 -22.6074 -22.6074 -22.3422 -22.3422 -22.3287 -22.3287 -7.2706 -7.2706 -6.3747 -6.3747 -6.3276 -6.3276 -5.2112 -5.2112 -4.2016 -4.2016 -4.0637 -4.0637 6.6330 6.6330 7.1102 7.1102 7.1502 7.1502 7.9747 7.9747 7.9754 7.9754 8.5301 8.5301 9.1478 9.1478 9.2362 9.2362 9.2694 9.2694 12.7427 12.7427 12.8261 12.8261 12.8454 12.8454 15.5133 15.5144 k = 0.1571 0.1571 0.1571 ( 4854 PWs) bands (ev): -46.2728 -46.2728 -22.9978 -22.9978 -22.6067 -22.6067 -22.3435 -22.3435 -22.3294 -22.3294 -7.2615 -7.2615 -6.3751 -6.3751 -6.3251 -6.3251 -5.2012 -5.2012 -4.1995 -4.1995 -4.0513 -4.0513 6.5855 6.5855 7.0922 7.0922 7.1310 7.1310 7.9099 7.9099 7.9117 7.9117 8.4423 8.4423 9.1679 9.1679 9.2136 9.2136 9.2462 9.2462 12.7971 12.7971 12.8801 12.8801 12.8994 12.8994 15.5925 15.5931 k = 0.1643 0.1643 0.1643 ( 4860 PWs) bands (ev): -46.2727 -46.2727 -22.9991 -22.9991 -22.6059 -22.6059 -22.3448 -22.3448 -22.3302 -22.3302 -7.2515 -7.2515 -6.3752 -6.3752 -6.3222 -6.3222 -5.1917 -5.1917 -4.1979 -4.1979 -4.0394 -4.0394 6.5382 6.5382 7.0728 7.0728 7.1105 7.1105 7.8454 7.8454 7.8485 7.8485 8.3540 8.3540 9.1876 9.1876 9.1945 9.1945 9.2253 9.2253 12.8522 12.8522 12.9341 12.9341 12.9534 12.9534 15.6732 15.6732 k = 0.1714 0.1714 0.1714 ( 4860 PWs) bands (ev): -46.2726 -46.2726 -23.0004 -23.0004 -22.6050 -22.6050 -22.3462 -22.3462 -22.3310 -22.3310 -7.2403 -7.2403 -6.3747 -6.3747 -6.3191 -6.3191 -5.1828 -5.1828 -4.1967 -4.1967 -4.0280 -4.0280 6.4914 6.4914 7.0521 7.0521 7.0886 7.0886 7.7814 7.7814 7.7858 7.7858 8.2654 8.2654 9.1749 9.1749 9.2069 9.2069 9.2107 9.2107 12.9078 12.9078 12.9881 12.9881 13.0074 13.0074 15.7552 15.7552 k = 0.1786 0.1786 0.1786 ( 4860 PWs) bands (ev): -46.2725 -46.2725 -23.0016 -23.0016 -22.6041 -22.6041 -22.3476 -22.3476 -22.3320 -22.3320 -7.2282 -7.2282 -6.3739 -6.3739 -6.3156 -6.3156 -5.1745 -5.1745 -4.1960 -4.1960 -4.0173 -4.0173 6.4454 6.4454 7.0300 7.0300 7.0653 7.0653 7.7182 7.7182 7.7238 7.7238 8.1766 8.1766 9.1597 9.1597 9.1910 9.1910 9.2327 9.2327 12.9638 12.9638 13.0421 13.0421 13.0614 13.0614 15.8381 15.8393 k = 0.1857 0.1857 0.1857 ( 4860 PWs) bands (ev): -46.2725 -46.2725 -23.0029 -23.0029 -22.6031 -22.6031 -22.3490 -22.3490 -22.3331 -22.3331 -7.2149 -7.2149 -6.3726 -6.3726 -6.3117 -6.3117 -5.1670 -5.1670 -4.1957 -4.1957 -4.0074 -4.0074 6.4003 6.4003 7.0066 7.0066 7.0407 7.0407 7.6556 7.6556 7.6626 7.6626 8.0879 8.0879 9.1470 9.1470 9.1778 9.1778 9.2554 9.2554 13.0200 13.0200 13.0959 13.0959 13.1152 13.1152 15.9219 15.9219 k = 0.1929 0.1929 0.1929 ( 4857 PWs) bands (ev): -46.2724 -46.2724 -23.0042 -23.0042 -22.6020 -22.6020 -22.3504 -22.3504 -22.3343 -22.3343 -7.2004 -7.2004 -6.3707 -6.3707 -6.3074 -6.3074 -5.1603 -5.1603 -4.1960 -4.1960 -3.9984 -3.9984 6.3565 6.3565 6.9819 6.9819 7.0149 7.0149 7.5940 7.5940 7.6023 7.6023 7.9994 7.9994 9.1372 9.1372 9.1674 9.1674 9.2786 9.2786 13.0765 13.0765 13.1497 13.1497 13.1690 13.1690 16.0065 16.0076 k = 0.2000 0.2000 0.2000 ( 4857 PWs) bands (ev): -46.2723 -46.2723 -23.0055 -23.0055 -22.6009 -22.6009 -22.3519 -22.3519 -22.3357 -22.3357 -7.1849 -7.1849 -6.3684 -6.3684 -6.3028 -6.3028 -5.1544 -5.1544 -4.1969 -4.1969 -3.9904 -3.9904 6.3140 6.3140 6.9560 6.9560 6.9878 6.9878 7.5333 7.5333 7.5431 7.5431 7.9111 7.9111 9.1302 9.1302 9.1598 9.1598 9.3024 9.3024 13.1329 13.1329 13.2032 13.2032 13.2225 13.2225 16.0912 16.0925 k = 0.2071 0.2071 0.2071 ( 4857 PWs) bands (ev): -46.2722 -46.2722 -23.0067 -23.0067 -22.5996 -22.5996 -22.3534 -22.3534 -22.3371 -22.3371 -7.1681 -7.1681 -6.3656 -6.3656 -6.2977 -6.2977 -5.1494 -5.1494 -4.1983 -4.1983 -3.9836 -3.9836 6.2731 6.2731 6.9290 6.9290 6.9597 6.9597 7.4736 7.4736 7.4849 7.4849 7.8233 7.8233 9.1262 9.1262 9.1551 9.1551 9.3266 9.3266 13.1894 13.1894 13.2565 13.2565 13.2759 13.2759 16.1763 16.1763 k = 0.2143 0.2143 0.2143 ( 4851 PWs) bands (ev): -46.2721 -46.2721 -23.0080 -23.0080 -22.5983 -22.5983 -22.3549 -22.3549 -22.3386 -22.3386 -7.1502 -7.1502 -6.3622 -6.3622 -6.2923 -6.2923 -5.1453 -5.1453 -4.2004 -4.2004 -3.9779 -3.9779 6.2340 6.2340 6.9010 6.9010 6.9305 6.9305 7.4150 7.4150 7.4278 7.4278 7.7361 7.7361 9.1251 9.1251 9.1534 9.1534 9.3513 9.3513 13.2456 13.2456 13.3096 13.3096 13.3291 13.3291 16.2616 16.2616 k = 0.2214 0.2214 0.2214 ( 4857 PWs) bands (ev): -46.2720 -46.2720 -23.0092 -23.0092 -22.5970 -22.5970 -22.3564 -22.3564 -22.3403 -22.3403 -7.1311 -7.1311 -6.3583 -6.3583 -6.2864 -6.2864 -5.1422 -5.1422 -4.2031 -4.2031 -3.9735 -3.9735 6.1967 6.1967 6.8721 6.8721 6.9004 6.9004 7.3576 7.3576 7.3720 7.3720 7.6495 7.6495 9.1269 9.1269 9.1545 9.1545 9.3763 9.3763 13.3016 13.3016 13.3624 13.3624 13.3819 13.3819 16.3470 16.3470 k = 0.2286 0.2286 0.2286 ( 4869 PWs) bands (ev): -46.2719 -46.2719 -23.0105 -23.0105 -22.5956 -22.5956 -22.3579 -22.3579 -22.3420 -22.3420 -7.1109 -7.1109 -6.3539 -6.3539 -6.2801 -6.2801 -5.1400 -5.1400 -4.2064 -4.2064 -3.9705 -3.9705 6.1616 6.1616 6.8423 6.8423 6.8695 6.8695 7.3014 7.3014 7.3174 7.3174 7.5638 7.5638 9.1316 9.1316 9.1586 9.1586 9.4016 9.4016 13.3573 13.3573 13.4149 13.4149 13.4345 13.4345 16.4321 16.4321 k = 0.2357 0.2357 0.2357 ( 4869 PWs) bands (ev): -46.2718 -46.2718 -23.0117 -23.0117 -22.5941 -22.5941 -22.3595 -22.3595 -22.3439 -22.3439 -7.0894 -7.0894 -6.3489 -6.3489 -6.2735 -6.2735 -5.1388 -5.1388 -4.2104 -4.2104 -3.9688 -3.9688 6.1285 6.1285 6.8117 6.8117 6.8379 6.8379 7.2465 7.2465 7.2642 7.2642 7.4791 7.4791 9.1391 9.1391 9.1655 9.1655 9.4273 9.4273 13.4125 13.4125 13.4670 13.4670 13.4866 13.4866 16.5170 16.5170 k = 0.2429 0.2429 0.2429 ( 4869 PWs) bands (ev): -46.2717 -46.2717 -23.0129 -23.0129 -22.5925 -22.5925 -22.3610 -22.3610 -22.3458 -22.3458 -7.0668 -7.0668 -6.3433 -6.3433 -6.2664 -6.2664 -5.1387 -5.1387 -4.2151 -4.2151 -3.9687 -3.9687 6.0977 6.0977 6.7806 6.7806 6.8056 6.8056 7.1929 7.1929 7.2123 7.2123 7.3954 7.3954 9.1495 9.1495 9.1751 9.1751 9.4531 9.4531 13.4671 13.4671 13.5187 13.5187 13.5384 13.5384 16.6015 16.6056 k = 0.2500 0.2500 0.2500 ( 4878 PWs) bands (ev): -46.2716 -46.2716 -23.0141 -23.0141 -22.5909 -22.5909 -22.3626 -22.3626 -22.3478 -22.3478 -7.0431 -7.0431 -6.3372 -6.3372 -6.2589 -6.2589 -5.1395 -5.1395 -4.2204 -4.2204 -3.9701 -3.9701 6.0692 6.0692 6.7489 6.7489 6.7728 6.7728 7.1407 7.1407 7.1620 7.1620 7.3129 7.3129 9.1625 9.1625 9.1874 9.1874 9.4792 9.4792 13.5211 13.5211 13.5699 13.5699 13.5898 13.5898 16.6855 16.6891 k = 0.2571 0.2571 0.2571 ( 4863 PWs) bands (ev): -46.2715 -46.2715 -23.0153 -23.0153 -22.5893 -22.5893 -22.3641 -22.3641 -22.3498 -22.3498 -7.0182 -7.0182 -6.3305 -6.3305 -6.2510 -6.2510 -5.1414 -5.1414 -4.2264 -4.2264 -3.9730 -3.9730 6.0431 6.0431 6.7168 6.7168 6.7396 6.7396 7.0900 7.0900 7.1131 7.1131 7.2319 7.2319 9.1781 9.1781 9.2024 9.2024 9.5054 9.5054 13.5745 13.5745 13.6206 13.6206 13.6406 13.6406 16.7679 16.7691 k = 0.2643 0.2643 0.2643 ( 4869 PWs) bands (ev): -46.2714 -46.2714 -23.0164 -23.0164 -22.5876 -22.5876 -22.3656 -22.3656 -22.3520 -22.3520 -6.9921 -6.9921 -6.3233 -6.3233 -6.2428 -6.2428 -5.1443 -5.1443 -4.2331 -4.2331 -3.9776 -3.9776 6.0193 6.0193 6.6844 6.6844 6.7061 6.7061 7.0408 7.0408 7.0659 7.0659 7.1523 7.1523 9.1963 9.1963 9.2198 9.2198 9.5317 9.5317 13.6270 13.6270 13.6708 13.6708 13.6909 13.6909 16.8496 16.8513 k = 0.2714 0.2714 0.2714 ( 4863 PWs) bands (ev): -46.2713 -46.2713 -23.0176 -23.0176 -22.5859 -22.5859 -22.3672 -22.3672 -22.3541 -22.3541 -6.9650 -6.9650 -6.3156 -6.3156 -6.2341 -6.2341 -5.1483 -5.1483 -4.2404 -4.2404 -3.9838 -3.9838 5.9978 5.9978 6.6518 6.6518 6.6722 6.6722 6.9931 6.9931 7.0203 7.0203 7.0744 7.0744 9.2167 9.2167 9.2396 9.2396 9.5580 9.5580 13.6788 13.6788 13.7204 13.7204 13.7405 13.7405 16.9302 16.9327 k = 0.2786 0.2786 0.2786 ( 4863 PWs) bands (ev): -46.2712 -46.2712 -23.0187 -23.0187 -22.5841 -22.5841 -22.3687 -22.3687 -22.3563 -22.3563 -6.9368 -6.9368 -6.3073 -6.3073 -6.2251 -6.2251 -5.1533 -5.1533 -4.2483 -4.2483 -3.9915 -3.9915 5.9785 5.9785 6.6189 6.6189 6.6382 6.6382 6.9470 6.9470 6.9765 6.9765 6.9985 6.9985 9.2395 9.2395 9.2616 9.2616 9.5842 9.5842 13.7296 13.7296 13.7693 13.7693 13.7895 13.7895 17.0095 17.0118 k = 0.2857 0.2857 0.2857 ( 4857 PWs) bands (ev): -46.2711 -46.2711 -23.0199 -23.0199 -22.5823 -22.5823 -22.3702 -22.3702 -22.3586 -22.3586 -6.9076 -6.9076 -6.2984 -6.2984 -6.2158 -6.2158 -5.1593 -5.1593 -4.2569 -4.2569 -4.0009 -4.0009 5.9614 5.9614 6.5860 6.5860 6.6040 6.6040 6.9022 6.9022 6.9251 6.9251 6.9344 6.9344 9.2643 9.2643 9.2858 9.2858 9.6105 9.6105 13.7795 13.7795 13.8175 13.8175 13.8378 13.8378 17.0868 17.0872 k = 0.2929 0.2929 0.2929 ( 4866 PWs) bands (ev): -46.2710 -46.2710 -23.0210 -23.0210 -22.5805 -22.5805 -22.3717 -22.3717 -22.3608 -22.3608 -6.8775 -6.8775 -6.2891 -6.2891 -6.2061 -6.2061 -5.1664 -5.1664 -4.2660 -4.2660 -4.0119 -4.0119 5.9462 5.9462 6.5530 6.5530 6.5697 6.5697 6.8499 6.8499 6.8632 6.8632 6.8942 6.8942 9.2911 9.2911 9.3119 9.3119 9.6365 9.6365 13.8285 13.8285 13.8649 13.8649 13.8854 13.8854 17.1624 17.1631 k = 0.3000 0.3000 0.3000 ( 4872 PWs) bands (ev): -46.2709 -46.2709 -23.0221 -23.0221 -22.5787 -22.5787 -22.3732 -22.3732 -22.3631 -22.3631 -6.8463 -6.8463 -6.2793 -6.2793 -6.1961 -6.1961 -5.1745 -5.1745 -4.2756 -4.2756 -4.0245 -4.0245 5.9329 5.9329 6.5200 6.5200 6.5355 6.5355 6.7822 6.7822 6.8211 6.8211 6.8558 6.8558 9.3197 9.3197 9.3399 9.3399 9.6624 9.6624 13.8764 13.8764 13.9115 13.9115 13.9320 13.9320 17.2359 17.2374 k = 0.3071 0.3071 0.3071 ( 4860 PWs) bands (ev): -46.2708 -46.2708 -23.0231 -23.0231 -22.5769 -22.5769 -22.3746 -22.3746 -22.3653 -22.3653 -6.8143 -6.8143 -6.2689 -6.2689 -6.1859 -6.1859 -5.1835 -5.1835 -4.2858 -4.2858 -4.0385 -4.0385 5.9210 5.9210 6.4871 6.4871 6.5013 6.5013 6.7160 6.7160 6.7821 6.7821 6.8193 6.8193 9.3500 9.3500 9.3695 9.3695 9.6881 9.6881 13.9233 13.9233 13.9572 13.9572 13.9778 13.9778 17.3058 17.3068 k = 0.3143 0.3143 0.3143 ( 4860 PWs) bands (ev): -46.2707 -46.2707 -23.0242 -23.0242 -22.5751 -22.5751 -22.3760 -22.3760 -22.3675 -22.3675 -6.7814 -6.7814 -6.2582 -6.2582 -6.1753 -6.1753 -5.1935 -5.1935 -4.2965 -4.2965 -4.0541 -4.0541 5.9104 5.9104 6.4543 6.4543 6.4673 6.4673 6.6528 6.6528 6.7453 6.7453 6.7847 6.7847 9.3818 9.3818 9.4007 9.4007 9.7135 9.7135 13.9691 13.9691 14.0019 14.0019 14.0226 14.0226 17.3724 17.3725 k = 0.3214 0.3214 0.3214 ( 4860 PWs) bands (ev): -46.2706 -46.2706 -23.0253 -23.0253 -22.5734 -22.5734 -22.3774 -22.3774 -22.3697 -22.3697 -6.7477 -6.7477 -6.2469 -6.2469 -6.1646 -6.1646 -5.2045 -5.2045 -4.3075 -4.3075 -4.0710 -4.0710 5.9004 5.9004 6.4217 6.4217 6.4336 6.4336 6.5930 6.5930 6.7104 6.7104 6.7521 6.7521 9.4149 9.4149 9.4332 9.4332 9.7385 9.7385 14.0137 14.0137 14.0456 14.0456 14.0664 14.0664 17.4338 17.4346 k = 0.3286 0.3286 0.3286 ( 4863 PWs) bands (ev): -46.2705 -46.2705 -23.0263 -23.0263 -22.5716 -22.5716 -22.3788 -22.3788 -22.3719 -22.3719 -6.7133 -6.7133 -6.2353 -6.2353 -6.1537 -6.1537 -5.2164 -5.2164 -4.3190 -4.3190 -4.0893 -4.0893 5.8908 5.8908 6.3895 6.3895 6.4003 6.4003 6.5372 6.5372 6.6776 6.6776 6.7212 6.7212 9.4491 9.4491 9.4669 9.4669 9.7631 9.7631 14.0572 14.0572 14.0883 14.0883 14.1092 14.1092 17.4886 17.4903 k = 0.3357 0.3357 0.3357 ( 4869 PWs) bands (ev): -46.2704 -46.2704 -23.0273 -23.0273 -22.5699 -22.5699 -22.3801 -22.3801 -22.3740 -22.3740 -6.6782 -6.6782 -6.2233 -6.2233 -6.1426 -6.1426 -5.2292 -5.2292 -4.3308 -4.3308 -4.1088 -4.1088 5.8808 5.8808 6.3576 6.3576 6.3674 6.3674 6.4859 6.4859 6.6466 6.6466 6.6922 6.6922 9.4844 9.4844 9.5016 9.5016 9.7872 9.7872 14.0995 14.0995 14.1297 14.1297 14.1507 14.1507 17.5353 17.5391 k = 0.3429 0.3429 0.3429 ( 4872 PWs) bands (ev): -46.2703 -46.2703 -23.0283 -23.0283 -22.5683 -22.5683 -22.3814 -22.3814 -22.3760 -22.3760 -6.6425 -6.6425 -6.2110 -6.2110 -6.1314 -6.1314 -5.2429 -5.2429 -4.3429 -4.3429 -4.1294 -4.1294 5.8698 5.8698 6.3263 6.3263 6.3350 6.3350 6.4397 6.4397 6.6176 6.6176 6.6650 6.6650 9.5204 9.5204 9.5372 9.5372 9.8108 9.8108 14.1406 14.1406 14.1700 14.1700 14.1911 14.1911 17.5721 17.5769 k = 0.3500 0.3500 0.3500 ( 4866 PWs) bands (ev): -46.2702 -46.2702 -23.0292 -23.0292 -22.5667 -22.5667 -22.3827 -22.3827 -22.3780 -22.3780 -6.6062 -6.6062 -6.1984 -6.1984 -6.1201 -6.1201 -5.2574 -5.2574 -4.3552 -4.3552 -4.1511 -4.1511 5.8572 5.8572 6.2956 6.2956 6.3034 6.3034 6.3991 6.3991 6.5905 6.5905 6.6395 6.6395 9.5570 9.5570 9.5734 9.5734 9.8338 9.8338 14.1805 14.1805 14.2090 14.2090 14.2302 14.2302 17.5964 17.5994 k = 0.3571 0.3571 0.3571 ( 4848 PWs) bands (ev): -46.2702 -46.2702 -23.0302 -23.0302 -22.5651 -22.5651 -22.3839 -22.3839 -22.3798 -22.3798 -6.5695 -6.5695 -6.1855 -6.1855 -6.1088 -6.1088 -5.2728 -5.2728 -4.3677 -4.3677 -4.1737 -4.1737 5.8423 5.8423 6.2656 6.2656 6.2726 6.2726 6.3645 6.3645 6.5652 6.5652 6.6156 6.6156 9.5941 9.5941 9.6100 9.6100 9.8562 9.8562 14.2191 14.2191 14.2467 14.2467 14.2680 14.2680 17.6063 17.6142 k = 0.3643 0.3643 0.3643 ( 4854 PWs) bands (ev): -46.2701 -46.2701 -23.0311 -23.0311 -22.5636 -22.5636 -22.3851 -22.3851 -22.3816 -22.3816 -6.5324 -6.5324 -6.1724 -6.1724 -6.0974 -6.0974 -5.2889 -5.2889 -4.3802 -4.3802 -4.1970 -4.1970 5.8247 5.8247 6.2365 6.2365 6.2426 6.2426 6.3363 6.3363 6.5417 6.5417 6.5934 6.5934 9.6313 9.6313 9.6468 9.6468 9.8779 9.8779 14.2564 14.2564 14.2830 14.2830 14.3045 14.3045 17.5991 17.6029 k = 0.3714 0.3714 0.3714 ( 4848 PWs) bands (ev): -46.2700 -46.2700 -23.0320 -23.0320 -22.5622 -22.5622 -22.3862 -22.3862 -22.3833 -22.3833 -6.4950 -6.4950 -6.1591 -6.1591 -6.0862 -6.0862 -5.3057 -5.3057 -4.3928 -4.3928 -4.2209 -4.2209 5.8043 5.8043 6.2084 6.2084 6.2137 6.2137 6.3146 6.3146 6.5200 6.5200 6.5727 6.5727 9.6686 9.6686 9.6837 9.6837 9.8989 9.8989 14.2923 14.2923 14.3178 14.3178 14.3394 14.3394 17.5870 17.5969 k = 0.3786 0.3786 0.3786 ( 4836 PWs) bands (ev): -46.2699 -46.2699 -23.0328 -23.0328 -22.5609 -22.5609 -22.3873 -22.3873 -22.3849 -22.3849 -6.4574 -6.4574 -6.1457 -6.1457 -6.0751 -6.0751 -5.3233 -5.3233 -4.4053 -4.4053 -4.2454 -4.2454 5.7813 5.7813 6.1813 6.1813 6.1858 6.1858 6.2988 6.2988 6.5000 6.5000 6.5534 6.5534 9.7056 9.7056 9.7204 9.7204 9.9191 9.9191 14.3269 14.3269 14.3511 14.3511 14.3729 14.3729 17.5586 17.5743 k = 0.3857 0.3857 0.3857 ( 4833 PWs) bands (ev): -46.2699 -46.2699 -23.0336 -23.0336 -22.5597 -22.5597 -22.3883 -22.3883 -22.3864 -22.3864 -6.4197 -6.4197 -6.1323 -6.1323 -6.0641 -6.0641 -5.3415 -5.3415 -4.4177 -4.4177 -4.2701 -4.2701 5.7560 5.7560 6.1553 6.1553 6.1591 6.1591 6.2886 6.2886 6.4816 6.4816 6.5356 6.5356 9.7422 9.7422 9.7567 9.7567 9.9384 9.9384 14.3600 14.3600 14.3829 14.3829 14.4049 14.4049 17.5297 17.5341 k = 0.3929 0.3929 0.3929 ( 4833 PWs) bands (ev): -46.2698 -46.2698 -23.0344 -23.0344 -22.5585 -22.5585 -22.3893 -22.3893 -22.3878 -22.3878 -6.3820 -6.3820 -6.1190 -6.1190 -6.0534 -6.0534 -5.3603 -5.3603 -4.4299 -4.4299 -4.2949 -4.2949 5.7292 5.7292 6.1305 6.1305 6.1337 6.1337 6.2830 6.2830 6.4650 6.4650 6.5191 6.5191 9.7781 9.7781 9.7924 9.7924 9.9569 9.9569 14.3916 14.3916 14.4130 14.4130 14.4353 14.4353 17.4940 17.4976 k = 0.4000 0.4000 0.4000 ( 4833 PWs) bands (ev): -46.2697 -46.2697 -23.0351 -23.0351 -22.5575 -22.5575 -22.3902 -22.3902 -22.3891 -22.3891 -6.3444 -6.3444 -6.1057 -6.1057 -6.0429 -6.0429 -5.3797 -5.3797 -4.4418 -4.4418 -4.3196 -4.3196 5.7014 5.7014 6.1070 6.1070 6.1096 6.1096 6.2811 6.2811 6.4501 6.4501 6.5040 6.5040 9.8131 9.8131 9.8272 9.8272 9.9744 9.9744 14.4217 14.4217 14.4414 14.4414 14.4640 14.4640 17.4506 17.4570 k = 0.4071 0.4071 0.4071 ( 4827 PWs) bands (ev): -46.2697 -46.2697 -23.0359 -23.0359 -22.5565 -22.5565 -22.3911 -22.3911 -22.3902 -22.3902 -6.3071 -6.3071 -6.0927 -6.0927 -6.0328 -6.0328 -5.3997 -5.3997 -4.4534 -4.4534 -4.3441 -4.3441 5.6734 5.6734 6.0847 6.0847 6.0869 6.0869 6.2821 6.2821 6.4369 6.4369 6.4901 6.4901 9.8469 9.8469 9.8609 9.8609 9.9909 9.9909 14.4503 14.4503 14.4682 14.4682 14.4910 14.4910 17.4093 17.4138 k = 0.4143 0.4143 0.4143 ( 4827 PWs) bands (ev): -46.2696 -46.2696 -23.0365 -23.0365 -22.5556 -22.5556 -22.3919 -22.3919 -22.3913 -22.3913 -6.2701 -6.2701 -6.0799 -6.0799 -6.0231 -6.0231 -5.4200 -5.4200 -4.4645 -4.4645 -4.3681 -4.3681 5.6457 5.6457 6.0638 6.0638 6.0657 6.0657 6.2849 6.2849 6.4255 6.4255 6.4774 6.4774 9.8794 9.8794 9.8933 9.8933 10.0064 10.0064 14.4771 14.4771 14.4931 14.4931 14.5163 14.5163 17.3607 17.3702 k = 0.4214 0.4214 0.4214 ( 4818 PWs) bands (ev): -46.2696 -46.2696 -23.0371 -23.0371 -22.5548 -22.5548 -22.3926 -22.3926 -22.3922 -22.3922 -6.2337 -6.2337 -6.0676 -6.0676 -6.0139 -6.0139 -5.4407 -5.4407 -4.4751 -4.4751 -4.3914 -4.3914 5.6189 5.6189 6.0444 6.0444 6.0459 6.0459 6.2888 6.2888 6.4160 6.4160 6.4659 6.4659 9.9104 9.9104 9.9241 9.9241 10.0209 10.0209 14.5022 14.5022 14.5163 14.5163 14.5399 14.5399 17.3199 17.3241 k = 0.4286 0.4286 0.4286 ( 4815 PWs) bands (ev): -46.2695 -46.2695 -23.0377 -23.0377 -22.5541 -22.5541 -22.3933 -22.3933 -22.3930 -22.3930 -6.1980 -6.1980 -6.0557 -6.0557 -6.0052 -6.0052 -5.4617 -5.4617 -4.4851 -4.4851 -4.4138 -4.4138 5.5935 5.5935 6.0266 6.0266 6.0278 6.0278 6.2931 6.2931 6.4085 6.4085 6.4555 6.4555 9.9395 9.9395 9.9532 9.9532 10.0343 10.0343 14.5254 14.5254 14.5376 14.5376 14.5616 14.5616 17.2788 17.2790 k = 0.4357 0.4357 0.4357 ( 4818 PWs) bands (ev): -46.2695 -46.2695 -23.0382 -23.0382 -22.5535 -22.5535 -22.3939 -22.3939 -22.3938 -22.3938 -6.1633 -6.1633 -6.0444 -6.0444 -5.9971 -5.9971 -5.4829 -5.4829 -4.4945 -4.4945 -4.4350 -4.4350 5.5697 5.5697 6.0102 6.0102 6.0112 6.0112 6.2970 6.2970 6.4032 6.4032 6.4462 6.4462 9.9665 9.9665 9.9803 9.9803 10.0465 10.0465 14.5468 14.5468 14.5570 14.5570 14.5815 14.5815 17.2406 17.2406 k = 0.4429 0.4429 0.4429 ( 4818 PWs) bands (ev): -46.2694 -46.2694 -23.0387 -23.0387 -22.5529 -22.5529 -22.3945 -22.3945 -22.3944 -22.3944 -6.1298 -6.1298 -6.0338 -6.0338 -5.9897 -5.9897 -5.5040 -5.5040 -4.5030 -4.5030 -4.4548 -4.4548 5.5478 5.5478 5.9955 5.9955 5.9963 5.9963 6.3001 6.3001 6.3999 6.3999 6.4379 6.4379 9.9913 9.9913 10.0052 10.0052 10.0577 10.0577 14.5662 14.5662 14.5745 14.5745 14.5994 14.5994 17.2052 17.2055 k = 0.4500 0.4500 0.4500 ( 4824 PWs) bands (ev): -46.2694 -46.2694 -23.0391 -23.0391 -22.5525 -22.5525 -22.3950 -22.3950 -22.3950 -22.3950 -6.0979 -6.0979 -6.0239 -6.0239 -5.9830 -5.9830 -5.5248 -5.5248 -4.5108 -4.5108 -4.4730 -4.4730 5.5280 5.5280 5.9825 5.9825 5.9830 5.9830 6.3022 6.3022 6.3986 6.3986 6.4307 6.4307 10.0135 10.0135 10.0277 10.0277 10.0677 10.0677 14.5834 14.5834 14.5899 14.5899 14.6155 14.6155 17.1729 17.1730 k = 0.4571 0.4571 0.4571 ( 4818 PWs) bands (ev): -46.2694 -46.2694 -23.0395 -23.0395 -22.5521 -22.5521 -22.3954 -22.3954 -22.3954 -22.3954 -6.0681 -6.0681 -6.0149 -6.0149 -5.9770 -5.9770 -5.5451 -5.5451 -4.5177 -4.5177 -4.4893 -4.4893 5.5106 5.5106 5.9711 5.9711 5.9715 5.9715 6.3032 6.3032 6.3989 6.3989 6.4245 6.4245 10.0331 10.0331 10.0476 10.0476 10.0765 10.0765 14.5986 14.5986 14.6034 14.6034 14.6295 14.6295 17.1441 17.1442 k = 0.4643 0.4643 0.4643 ( 4818 PWs) bands (ev): -46.2694 -46.2694 -23.0398 -23.0398 -22.5517 -22.5517 -22.3958 -22.3958 -22.3958 -22.3958 -6.0412 -6.0412 -6.0063 -6.0063 -5.9719 -5.9719 -5.5644 -5.5644 -4.5236 -4.5236 -4.5035 -4.5035 5.4956 5.4956 5.9614 5.9614 5.9617 5.9617 6.3034 6.3034 6.4003 6.4003 6.4193 6.4193 10.0498 10.0498 10.0647 10.0647 10.0843 10.0843 14.6115 14.6115 14.6149 14.6149 14.6415 14.6415 17.1198 17.1221 k = 0.4714 0.4714 0.4714 ( 4812 PWs) bands (ev): -46.2693 -46.2693 -23.0401 -23.0401 -22.5515 -22.5515 -22.3961 -22.3961 -22.3961 -22.3961 -6.0189 -6.0189 -5.9974 -5.9974 -5.9677 -5.9677 -5.5821 -5.5821 -4.5285 -4.5285 -4.5155 -4.5155 5.4833 5.4833 5.9535 5.9535 5.9536 5.9536 6.3030 6.3030 6.4023 6.4023 6.4151 6.4151 10.0633 10.0633 10.0789 10.0789 10.0910 10.0910 14.6221 14.6221 14.6243 14.6243 14.6515 14.6515 17.0984 17.1002 k = 0.4786 0.4786 0.4786 ( 4812 PWs) bands (ev): -46.2693 -46.2693 -23.0403 -23.0403 -22.5513 -22.5513 -22.3964 -22.3964 -22.3964 -22.3964 -6.0047 -6.0047 -5.9856 -5.9856 -5.9643 -5.9643 -5.5975 -5.5975 -4.5324 -4.5324 -4.5250 -4.5250 5.4736 5.4736 5.9473 5.9473 5.9474 5.9474 6.3024 6.3024 6.4043 6.4043 6.4118 6.4118 10.0736 10.0736 10.0901 10.0901 10.0966 10.0966 14.6304 14.6304 14.6317 14.6317 14.6592 14.6592 17.0819 17.0828 k = 0.4857 0.4857 0.4857 ( 4794 PWs) bands (ev): -46.2693 -46.2693 -23.0404 -23.0404 -22.5511 -22.5511 -22.3965 -22.3965 -22.3965 -22.3965 -5.9980 -5.9980 -5.9725 -5.9725 -5.9619 -5.9619 -5.6096 -5.6096 -4.5352 -4.5352 -4.5319 -4.5319 5.4666 5.4666 5.9428 5.9428 5.9429 5.9429 6.3018 6.3018 6.4061 6.4061 6.4095 6.4095 10.0806 10.0806 10.0982 10.0982 10.1009 10.1009 14.6364 14.6364 14.6369 14.6369 14.6649 14.6649 17.0701 17.0704 k = 0.4929 0.4929 0.4929 ( 4776 PWs) bands (ev): -46.2693 -46.2693 -23.0405 -23.0405 -22.5510 -22.5510 -22.3966 -22.3966 -22.3966 -22.3966 -5.9948 -5.9948 -5.9633 -5.9633 -5.9605 -5.9605 -5.6174 -5.6174 -4.5369 -4.5369 -4.5360 -4.5360 5.4624 5.4624 5.9402 5.9402 5.9402 5.9402 6.3014 6.3014 6.4072 6.4072 6.4081 6.4081 10.0847 10.0847 10.1031 10.1031 10.1037 10.1037 14.6399 14.6399 14.6401 14.6401 14.6682 14.6682 17.0628 17.0629 k = 0.5000 0.5000 0.5000 ( 4776 PWs) bands (ev): -46.2693 -46.2693 -23.0406 -23.0406 -22.5510 -22.5510 -22.3967 -22.3967 -22.3967 -22.3967 -5.9938 -5.9938 -5.9600 -5.9600 -5.9600 -5.9600 -5.6201 -5.6201 -4.5374 -4.5374 -4.5374 -4.5374 5.4610 5.4610 5.9393 5.9393 5.9393 5.9393 6.3013 6.3013 6.4076 6.4076 6.4076 6.4076 10.0860 10.0860 10.1047 10.1047 10.1047 10.1047 14.6411 14.6411 14.6411 14.6411 14.6694 14.6694 17.0604 17.0607 k = 0.5000 0.5000 0.5000 ( 4776 PWs) bands (ev): -46.2693 -46.2693 -23.0406 -23.0406 -22.5510 -22.5510 -22.3967 -22.3967 -22.3967 -22.3967 -5.9938 -5.9938 -5.9600 -5.9600 -5.9600 -5.9600 -5.6201 -5.6201 -4.5374 -4.5374 -4.5374 -4.5374 5.4610 5.4610 5.9393 5.9393 5.9393 5.9393 6.3013 6.3013 6.4076 6.4076 6.4076 6.4076 10.0860 10.0860 10.1047 10.1047 10.1047 10.1047 14.6411 14.6411 14.6411 14.6411 14.6694 14.6694 17.0604 17.0604 k = 0.4912 0.5000 0.4912 ( 4776 PWs) bands (ev): -46.2693 -46.2693 -23.0405 -23.0405 -22.5510 -22.5510 -22.3966 -22.3966 -22.3966 -22.3966 -5.9948 -5.9948 -5.9632 -5.9632 -5.9606 -5.9606 -5.6173 -5.6173 -4.5368 -4.5368 -4.5361 -4.5361 5.4624 5.4624 5.9397 5.9397 5.9406 5.9406 6.3014 6.3014 6.4071 6.4071 6.4082 6.4082 10.0847 10.0847 10.1030 10.1030 10.1038 10.1038 14.6398 14.6398 14.6402 14.6402 14.6682 14.6682 17.0627 17.0632 k = 0.4825 0.5000 0.4825 ( 4792 PWs) bands (ev): -46.2693 -46.2693 -23.0404 -23.0404 -22.5511 -22.5511 -22.3966 -22.3966 -22.3964 -22.3964 -5.9979 -5.9979 -5.9723 -5.9723 -5.9623 -5.9623 -5.6095 -5.6095 -4.5350 -4.5350 -4.5320 -4.5320 5.4666 5.4666 5.9410 5.9410 5.9447 5.9447 6.3018 6.3018 6.4057 6.4057 6.4099 6.4099 10.0805 10.0805 10.0979 10.0979 10.1013 10.1013 14.6358 14.6358 14.6374 14.6374 14.6649 14.6649 17.0686 17.0698 k = 0.4737 0.5000 0.4737 ( 4808 PWs) bands (ev): -46.2693 -46.2693 -23.0403 -23.0403 -22.5513 -22.5513 -22.3965 -22.3965 -22.3962 -22.3962 -6.0038 -6.0038 -5.9862 -5.9862 -5.9650 -5.9650 -5.5973 -5.5973 -4.5320 -4.5320 -4.5253 -4.5253 5.4735 5.4735 5.9433 5.9433 5.9515 5.9515 6.3023 6.3023 6.4035 6.4035 6.4127 6.4127 10.0730 10.0730 10.0896 10.0896 10.0975 10.0975 14.6290 14.6290 14.6328 14.6328 14.6594 14.6594 17.0788 17.0789 k = 0.4649 0.5000 0.4649 ( 4808 PWs) bands (ev): -46.2693 -46.2693 -23.0401 -23.0401 -22.5515 -22.5515 -22.3964 -22.3964 -22.3958 -22.3958 -6.0150 -6.0150 -6.0013 -6.0013 -5.9683 -5.9683 -5.5817 -5.5817 -4.5278 -4.5278 -4.5160 -4.5160 5.4830 5.4830 5.9466 5.9466 5.9610 5.9610 6.3025 6.3025 6.4009 6.4009 6.4169 6.4169 10.0618 10.0618 10.0782 10.0782 10.0927 10.0927 14.6194 14.6194 14.6263 14.6263 14.6521 14.6521 17.0928 17.0928 k = 0.4561 0.5000 0.4561 ( 4816 PWs) bands (ev): -46.2694 -46.2694 -23.0398 -23.0398 -22.5517 -22.5517 -22.3963 -22.3963 -22.3953 -22.3953 -6.0350 -6.0350 -6.0135 -6.0135 -5.9720 -5.9720 -5.5637 -5.5637 -4.5224 -4.5224 -4.5044 -4.5044 5.4949 5.4949 5.9511 5.9511 5.9732 5.9732 6.3021 6.3021 6.3984 6.3984 6.4223 6.4223 10.0467 10.0467 10.0642 10.0642 10.0871 10.0871 14.6069 14.6069 14.6180 14.6180 14.6430 14.6430 17.1106 17.1107 k = 0.4474 0.5000 0.4474 ( 4824 PWs) bands (ev): -46.2694 -46.2694 -23.0395 -23.0395 -22.5520 -22.5520 -22.3961 -22.3961 -22.3948 -22.3948 -6.0603 -6.0603 -6.0252 -6.0252 -5.9760 -5.9760 -5.5441 -5.5441 -4.5159 -4.5159 -4.4905 -4.4905 5.5089 5.5089 5.9569 5.9569 5.9880 5.9880 6.3005 6.3005 6.3965 6.3965 6.4292 6.4292 10.0278 10.0278 10.0478 10.0478 10.0806 10.0806 14.5916 14.5916 14.6079 14.6079 14.6325 14.6325 17.1319 17.1319 k = 0.4386 0.5000 0.4386 ( 4820 PWs) bands (ev): -46.2694 -46.2694 -23.0391 -23.0391 -22.5524 -22.5524 -22.3959 -22.3959 -22.3941 -22.3941 -6.0886 -6.0886 -6.0379 -6.0379 -5.9803 -5.9803 -5.5234 -5.5234 -4.5083 -4.5083 -4.4746 -4.4746 5.5247 5.5247 5.9643 5.9643 6.0054 6.0054 6.2972 6.2972 6.3958 6.3958 6.4377 6.4377 10.0051 10.0051 10.0290 10.0290 10.0731 10.0731 14.5733 14.5733 14.5961 14.5961 14.6206 14.6206 17.1565 17.1565 k = 0.4298 0.5000 0.4298 ( 4816 PWs) bands (ev): -46.2694 -46.2694 -23.0387 -23.0387 -22.5529 -22.5529 -22.3957 -22.3957 -22.3933 -22.3933 -6.1191 -6.1191 -6.0519 -6.0519 -5.9849 -5.9849 -5.5022 -5.5022 -4.4997 -4.4997 -4.4569 -4.4569 5.5418 5.5418 5.9734 5.9734 6.0254 6.0254 6.2918 6.2918 6.3969 6.3969 6.4480 6.4480 9.9791 9.9791 10.0080 10.0080 10.0645 10.0645 14.5522 14.5522 14.5827 14.5827 14.6074 14.6074 17.1840 17.1840 k = 0.4211 0.5000 0.4211 ( 4812 PWs) bands (ev): -46.2695 -46.2695 -23.0382 -23.0382 -22.5534 -22.5534 -22.3953 -22.3953 -22.3924 -22.3924 -6.1513 -6.1513 -6.0667 -6.0667 -5.9899 -5.9899 -5.4808 -5.4808 -4.4901 -4.4901 -4.4376 -4.4376 5.5600 5.5600 5.9847 5.9847 6.0479 6.0479 6.2842 6.2842 6.3998 6.3998 6.4603 6.4603 9.9500 9.9500 9.9849 9.9849 10.0548 10.0548 14.5284 14.5284 14.5676 14.5676 14.5930 14.5930 17.2140 17.2145 k = 0.4123 0.5000 0.4123 ( 4818 PWs) bands (ev): -46.2695 -46.2695 -23.0377 -23.0377 -22.5540 -22.5540 -22.3950 -22.3950 -22.3915 -22.3915 -6.1850 -6.1850 -6.0823 -6.0823 -5.9951 -5.9951 -5.4594 -5.4594 -4.4796 -4.4796 -4.4170 -4.4170 5.5786 5.5786 5.9984 5.9984 6.0728 6.0728 6.2746 6.2746 6.4045 6.4045 6.4748 6.4748 9.9181 9.9181 9.9598 9.9598 10.0440 10.0440 14.5020 14.5020 14.5512 14.5512 14.5776 14.5776 17.2462 17.2744 k = 0.4035 0.5000 0.4035 ( 4822 PWs) bands (ev): -46.2696 -46.2696 -23.0372 -23.0372 -22.5547 -22.5547 -22.3946 -22.3946 -22.3904 -22.3904 -6.2201 -6.2201 -6.0983 -6.0983 -6.0008 -6.0008 -5.4382 -5.4382 -4.4682 -4.4682 -4.3952 -4.3952 5.5971 5.5971 6.0147 6.0147 6.1001 6.1001 6.2633 6.2633 6.4109 6.4109 6.4917 6.4917 9.8835 9.8835 9.9330 9.9330 10.0319 10.0319 14.4732 14.4732 14.5335 14.5335 14.5610 14.5610 17.2798 17.2799 k = 0.3947 0.5000 0.3947 ( 4822 PWs) bands (ev): -46.2696 -46.2696 -23.0365 -23.0365 -22.5554 -22.5554 -22.3941 -22.3941 -22.3893 -22.3893 -6.2563 -6.2563 -6.1144 -6.1144 -6.0067 -6.0067 -5.4174 -5.4174 -4.4561 -4.4561 -4.3725 -4.3725 5.6150 5.6150 6.0340 6.0340 6.1298 6.1298 6.2509 6.2509 6.4185 6.4185 6.5113 6.5113 9.8467 9.8467 9.9045 9.9045 10.0185 10.0185 14.4419 14.4419 14.5147 14.5147 14.5434 14.5434 17.3141 17.3141 k = 0.3860 0.5000 0.3860 ( 4826 PWs) bands (ev): -46.2697 -46.2697 -23.0359 -23.0359 -22.5563 -22.5563 -22.3935 -22.3935 -22.3880 -22.3880 -6.2935 -6.2935 -6.1305 -6.1305 -6.0131 -6.0131 -5.3971 -5.3971 -4.4432 -4.4432 -4.3491 -4.3491 5.6319 5.6319 6.0564 6.0564 6.1616 6.1616 6.2377 6.2377 6.4274 6.4274 6.5337 6.5337 9.8077 9.8077 9.8745 9.8745 10.0038 10.0038 14.4084 14.4084 14.4948 14.4948 14.5248 14.5248 17.3480 17.3480 k = 0.3772 0.5000 0.3772 ( 4830 PWs) bands (ev): -46.2697 -46.2697 -23.0352 -23.0352 -22.5572 -22.5572 -22.3929 -22.3929 -22.3867 -22.3867 -6.3315 -6.3315 -6.1462 -6.1462 -6.0197 -6.0197 -5.3773 -5.3773 -4.4297 -4.4297 -4.3252 -4.3252 5.6474 5.6474 6.0818 6.0818 6.1956 6.1956 6.2243 6.2243 6.4373 6.4373 6.5592 6.5592 9.7670 9.7670 9.8432 9.8432 9.9878 9.9878 14.3726 14.3726 14.4741 14.4741 14.5054 14.5054 17.3800 17.3800 k = 0.3684 0.5000 0.3684 ( 4830 PWs) bands (ev): -46.2698 -46.2698 -23.0345 -23.0345 -22.5582 -22.5582 -22.3922 -22.3922 -22.3853 -22.3853 -6.3704 -6.3704 -6.1615 -6.1615 -6.0267 -6.0267 -5.3581 -5.3581 -4.4157 -4.4157 -4.3010 -4.3010 5.6613 5.6613 6.1101 6.1101 6.2108 6.2108 6.2317 6.2317 6.4481 6.4481 6.5882 6.5882 9.7248 9.7248 9.8107 9.8107 9.9703 9.9703 14.3348 14.3348 14.4527 14.4527 14.4851 14.4851 17.4077 17.4077 k = 0.3596 0.5000 0.3596 ( 4820 PWs) bands (ev): -46.2699 -46.2699 -23.0338 -23.0338 -22.5593 -22.5593 -22.3914 -22.3914 -22.3838 -22.3838 -6.4100 -6.4100 -6.1762 -6.1762 -6.0340 -6.0340 -5.3396 -5.3396 -4.4012 -4.4012 -4.2767 -4.2767 5.6736 5.6736 6.1405 6.1405 6.1982 6.1982 6.2696 6.2696 6.4598 6.4598 6.6208 6.6208 9.6814 9.6814 9.7770 9.7770 9.9514 9.9514 14.2949 14.2949 14.4307 14.4307 14.4641 14.4641 17.4281 17.4281 k = 0.3509 0.5000 0.3509 ( 4822 PWs) bands (ev): -46.2699 -46.2699 -23.0330 -23.0330 -22.5604 -22.5604 -22.3906 -22.3906 -22.3823 -22.3823 -6.4501 -6.4501 -6.1901 -6.1901 -6.0416 -6.0416 -5.3217 -5.3217 -4.3864 -4.3864 -4.2526 -4.2526 5.6842 5.6842 6.1692 6.1692 6.1901 6.1901 6.3093 6.3093 6.4725 6.4725 6.6573 6.6573 9.6370 9.6370 9.7424 9.7424 9.9310 9.9310 14.2531 14.2531 14.4083 14.4083 14.4425 14.4425 17.4369 17.4369 k = 0.3421 0.5000 0.3421 ( 4830 PWs) bands (ev): -46.2700 -46.2700 -23.0322 -23.0322 -22.5616 -22.5616 -22.3896 -22.3896 -22.3807 -22.3807 -6.4907 -6.4907 -6.2031 -6.2031 -6.0494 -6.0494 -5.3045 -5.3045 -4.3712 -4.3712 -4.2286 -4.2286 5.6933 5.6933 6.1698 6.1698 6.2127 6.2127 6.3506 6.3506 6.4860 6.4860 6.6980 6.6980 9.5919 9.5919 9.7069 9.7069 9.9091 9.9091 14.2094 14.2094 14.3855 14.3855 14.4204 14.4204 17.4299 17.4299 k = 0.3333 0.5000 0.3333 ( 4834 PWs) bands (ev): -46.2701 -46.2701 -23.0314 -23.0314 -22.5630 -22.5630 -22.3886 -22.3886 -22.3790 -22.3790 -6.5316 -6.5316 -6.2151 -6.2151 -6.0575 -6.0575 -5.2880 -5.2880 -4.3559 -4.3559 -4.2051 -4.2051 5.7010 5.7010 6.1604 6.1604 6.2477 6.2477 6.3935 6.3935 6.5004 6.5004 6.7431 6.7431 9.5464 9.5464 9.6706 9.6706 9.8856 9.8856 14.1639 14.1639 14.3624 14.3624 14.3979 14.3979 17.4046 17.4046 k = 0.3246 0.5000 0.3246 ( 4844 PWs) bands (ev): -46.2701 -46.2701 -23.0306 -23.0306 -22.5644 -22.5644 -22.3875 -22.3875 -22.3773 -22.3773 -6.5728 -6.5728 -6.2261 -6.2261 -6.0658 -6.0658 -5.2722 -5.2722 -4.3405 -4.3405 -4.1822 -4.1822 5.7075 5.7075 6.1518 6.1518 6.2841 6.2841 6.4377 6.4377 6.5158 6.5158 6.7928 6.7928 9.5009 9.5009 9.6336 9.6336 9.8604 9.8604 14.1167 14.1167 14.3393 14.3393 14.3751 14.3751 17.3614 17.3614 k = 0.3158 0.5000 0.3158 ( 4840 PWs) bands (ev): -46.2702 -46.2702 -23.0297 -23.0297 -22.5658 -22.5658 -22.3863 -22.3863 -22.3755 -22.3755 -6.6142 -6.6142 -6.2359 -6.2359 -6.0743 -6.0743 -5.2571 -5.2571 -4.3250 -4.3250 -4.1600 -4.1600 5.7131 5.7131 6.1447 6.1447 6.3210 6.3210 6.4830 6.4830 6.5322 6.5322 6.8470 6.8470 9.4556 9.4556 9.5959 9.5959 9.8336 9.8336 14.0677 14.0677 14.3162 14.3162 14.3522 14.3522 17.3033 17.3033 k = 0.3070 0.5000 0.3070 ( 4852 PWs) bands (ev): -46.2703 -46.2703 -23.0289 -23.0289 -22.5673 -22.5673 -22.3851 -22.3851 -22.3737 -22.3737 -6.6556 -6.6556 -6.2446 -6.2446 -6.0830 -6.0830 -5.2427 -5.2427 -4.3097 -4.3097 -4.1385 -4.1385 5.7178 5.7178 6.1395 6.1395 6.3578 6.3578 6.5293 6.5293 6.5496 6.5496 6.9058 6.9058 9.4107 9.4107 9.5576 9.5576 9.8051 9.8051 14.0171 14.0171 14.2932 14.2932 14.3292 14.3292 17.2336 17.2336 k = 0.2982 0.5000 0.2982 ( 4844 PWs) bands (ev): -46.2704 -46.2704 -23.0280 -23.0280 -22.5689 -22.5689 -22.3838 -22.3838 -22.3719 -22.3719 -6.6970 -6.6970 -6.2519 -6.2519 -6.0918 -6.0918 -5.2290 -5.2290 -4.2945 -4.2945 -4.1180 -4.1180 5.7219 5.7219 6.1366 6.1366 6.3944 6.3944 6.5673 6.5673 6.5770 6.5770 6.9689 6.9689 9.3667 9.3667 9.5187 9.5187 9.7749 9.7749 13.9650 13.9650 14.2704 14.2704 14.3064 14.3064 17.1554 17.1554 k = 0.2895 0.5000 0.2895 ( 4848 PWs) bands (ev): -46.2704 -46.2704 -23.0272 -23.0272 -22.5706 -22.5706 -22.3823 -22.3823 -22.3700 -22.3700 -6.7382 -6.7382 -6.2581 -6.2581 -6.1007 -6.1007 -5.2160 -5.2160 -4.2796 -4.2796 -4.0984 -4.0984 5.7254 5.7254 6.1361 6.1361 6.4306 6.4306 6.5870 6.5870 6.6244 6.6244 7.0363 7.0363 9.3238 9.3238 9.4792 9.4792 9.7429 9.7429 13.9113 13.9113 14.2479 14.2479 14.2837 14.2837 17.0708 17.0708 k = 0.2807 0.5000 0.2807 ( 4842 PWs) bands (ev): -46.2705 -46.2705 -23.0264 -23.0264 -22.5723 -22.5723 -22.3809 -22.3809 -22.3680 -22.3680 -6.7792 -6.7792 -6.2629 -6.2629 -6.1096 -6.1096 -5.2038 -5.2038 -4.2651 -4.2651 -4.0798 -4.0798 5.7285 5.7285 6.1383 6.1383 6.4664 6.4664 6.6074 6.6074 6.6723 6.6723 7.1076 7.1076 9.2824 9.2824 9.4392 9.4392 9.7091 9.7091 13.8562 13.8562 14.2258 14.2258 14.2613 14.2613 16.9814 16.9814 k = 0.2719 0.5000 0.2719 ( 4842 PWs) bands (ev): -46.2706 -46.2706 -23.0256 -23.0256 -22.5740 -22.5740 -22.3793 -22.3793 -22.3661 -22.3661 -6.8199 -6.8199 -6.2664 -6.2664 -6.1187 -6.1187 -5.1922 -5.1922 -4.2510 -4.2510 -4.0623 -4.0623 5.7312 5.7312 6.1433 6.1433 6.5017 6.5017 6.6289 6.6289 6.7202 6.7202 7.1825 7.1825 9.2427 9.2427 9.3986 9.3986 9.6736 9.6736 13.7997 13.7997 14.2043 14.2043 14.2394 14.2394 16.8883 16.8883 k = 0.2632 0.5000 0.2632 ( 4842 PWs) bands (ev): -46.2707 -46.2707 -23.0247 -23.0247 -22.5758 -22.5758 -22.3778 -22.3778 -22.3641 -22.3641 -6.8602 -6.8602 -6.2686 -6.2686 -6.1277 -6.1277 -5.1814 -5.1814 -4.2375 -4.2375 -4.0458 -4.0458 5.7337 5.7337 6.1513 6.1513 6.5367 6.5367 6.6515 6.6515 6.7679 6.7679 7.2606 7.2606 9.2051 9.2051 9.3575 9.3575 9.6363 9.6363 13.7419 13.7419 14.1832 14.1832 14.2180 14.2180 16.7922 16.7922 k = 0.2544 0.5000 0.2544 ( 4842 PWs) bands (ev): -46.2708 -46.2708 -23.0239 -23.0239 -22.5775 -22.5775 -22.3761 -22.3761 -22.3622 -22.3622 -6.8999 -6.8999 -6.2695 -6.2695 -6.1368 -6.1368 -5.1714 -5.1714 -4.2247 -4.2247 -4.0304 -4.0304 5.7360 5.7360 6.1624 6.1624 6.5713 6.5713 6.6753 6.6753 6.8150 6.8150 7.3416 7.3416 9.1699 9.1699 9.3158 9.3158 9.5972 9.5972 13.6829 13.6829 14.1629 14.1629 14.1973 14.1973 16.6939 16.6939 k = 0.2456 0.5000 0.2456 ( 4854 PWs) bands (ev): -46.2708 -46.2708 -23.0232 -23.0232 -22.5794 -22.5794 -22.3744 -22.3744 -22.3602 -22.3602 -6.9391 -6.9391 -6.2690 -6.2690 -6.1458 -6.1458 -5.1621 -5.1621 -4.2127 -4.2127 -4.0161 -4.0161 5.7382 5.7382 6.1767 6.1767 6.6057 6.6057 6.7002 6.7002 6.8612 6.8612 7.4251 7.4251 9.1374 9.1374 9.2734 9.2734 9.5563 9.5563 13.6226 13.6226 14.1433 14.1433 14.1772 14.1772 16.5939 16.5939 k = 0.2368 0.5000 0.2368 ( 4860 PWs) bands (ev): -46.2709 -46.2709 -23.0224 -23.0224 -22.5812 -22.5812 -22.3727 -22.3727 -22.3582 -22.3582 -6.9777 -6.9777 -6.2672 -6.2672 -6.1548 -6.1548 -5.1535 -5.1535 -4.2015 -4.2015 -4.0027 -4.0027 5.7403 5.7403 6.1944 6.1944 6.6398 6.6398 6.7262 6.7262 6.9062 6.9062 7.5108 7.5108 9.1080 9.1080 9.2305 9.2305 9.5136 9.5136 13.5613 13.5613 14.1244 14.1244 14.1580 14.1580 16.4926 16.4926 k = 0.2281 0.5000 0.2281 ( 4856 PWs) bands (ev): -46.2710 -46.2710 -23.0217 -23.0217 -22.5830 -22.5830 -22.3710 -22.3710 -22.3562 -22.3562 -7.0155 -7.0155 -6.2642 -6.2642 -6.1636 -6.1636 -5.1458 -5.1458 -4.1913 -4.1913 -3.9901 -3.9901 5.7424 5.7424 6.2155 6.2155 6.6737 6.6737 6.7535 6.7535 6.9497 6.9497 7.5985 7.5985 9.0820 9.0820 9.1869 9.1869 9.4693 9.4693 13.4991 13.4991 14.1065 14.1065 14.1396 14.1396 16.3905 16.3905 k = 0.2193 0.5000 0.2193 ( 4852 PWs) bands (ev): -46.2711 -46.2711 -23.0210 -23.0210 -22.5848 -22.5848 -22.3692 -22.3692 -22.3543 -22.3543 -7.0525 -7.0525 -6.2599 -6.2599 -6.1724 -6.1724 -5.1389 -5.1389 -4.1822 -4.1822 -3.9784 -3.9784 5.7444 5.7444 6.2400 6.2400 6.7074 6.7074 6.7819 6.7819 6.9912 6.9912 7.6876 7.6876 9.0597 9.0597 9.1426 9.1426 9.4233 9.4233 13.4359 13.4359 14.0894 14.0894 14.1222 14.1222 16.2878 16.2878 k = 0.2105 0.5000 0.2105 ( 4854 PWs) bands (ev): -46.2712 -46.2712 -23.0203 -23.0203 -22.5866 -22.5866 -22.3674 -22.3674 -22.3523 -22.3523 -7.0886 -7.0886 -6.2544 -6.2544 -6.1810 -6.1810 -5.1327 -5.1327 -4.1742 -4.1742 -3.9675 -3.9675 5.7464 5.7464 6.2679 6.2679 6.7408 6.7408 6.8116 6.8116 7.0304 7.0304 7.7780 7.7780 9.0412 9.0412 9.0977 9.0977 9.3756 9.3756 13.3720 13.3720 14.0733 14.0733 14.1057 14.1057 16.1849 16.1849 k = 0.2018 0.5000 0.2018 ( 4854 PWs) bands (ev): -46.2713 -46.2713 -23.0197 -23.0197 -22.5884 -22.5884 -22.3657 -22.3657 -22.3504 -22.3504 -7.1238 -7.1238 -6.2478 -6.2478 -6.1893 -6.1893 -5.1275 -5.1275 -4.1675 -4.1675 -3.9571 -3.9571 5.7484 5.7484 6.2993 6.2993 6.7740 6.7740 6.8425 6.8425 7.0671 7.0671 7.8692 7.8692 9.0261 9.0261 9.0529 9.0529 9.3264 9.3264 13.3074 13.3074 14.0582 14.0582 14.0902 14.0902 16.0821 16.0821 k = 0.1930 0.5000 0.1930 ( 4860 PWs) bands (ev): -46.2713 -46.2713 -23.0191 -23.0191 -22.5901 -22.5901 -22.3639 -22.3639 -22.3485 -22.3485 -7.1579 -7.1579 -6.2402 -6.2402 -6.1975 -6.1975 -5.1231 -5.1231 -4.1620 -4.1620 -3.9473 -3.9473 5.7504 5.7504 6.3340 6.3340 6.8069 6.8069 6.8746 6.8746 7.1009 7.1009 7.9611 7.9611 9.0011 9.0011 9.0216 9.0216 9.2757 9.2757 13.2424 13.2424 14.0441 14.0441 14.0758 14.0758 15.9798 15.9798 k = 0.1842 0.5000 0.1842 ( 4852 PWs) bands (ev): -46.2714 -46.2714 -23.0185 -23.0185 -22.5918 -22.5918 -22.3621 -22.3621 -22.3466 -22.3466 -7.1910 -7.1910 -6.2317 -6.2317 -6.2051 -6.2051 -5.1195 -5.1195 -4.1579 -4.1579 -3.9379 -3.9379 5.7524 5.7524 6.3722 6.3722 6.8395 6.8395 6.9080 6.9080 7.1316 7.1316 8.0532 8.0532 8.9555 8.9555 9.0146 9.0146 9.2235 9.2235 13.1769 13.1769 14.0310 14.0310 14.0624 14.0624 15.8782 15.8782 k = 0.1754 0.5000 0.1754 ( 4856 PWs) bands (ev): -46.2715 -46.2715 -23.0179 -23.0179 -22.5935 -22.5935 -22.3604 -22.3604 -22.3448 -22.3448 -7.2229 -7.2229 -6.2238 -6.2238 -6.2110 -6.2110 -5.1169 -5.1169 -4.1550 -4.1550 -3.9289 -3.9289 5.7545 5.7545 6.4135 6.4135 6.8716 6.8716 6.9427 6.9427 7.1591 7.1591 8.1453 8.1453 8.9072 8.9072 9.0139 9.0139 9.1700 9.1700 13.1113 13.1113 14.0191 14.0191 14.0501 14.0501 15.7778 15.7778 k = 0.1667 0.5000 0.1667 ( 4874 PWs) bands (ev): -46.2716 -46.2716 -23.0174 -23.0174 -22.5951 -22.5951 -22.3587 -22.3587 -22.3431 -22.3431 -7.2537 -7.2537 -6.2240 -6.2240 -6.2075 -6.2075 -5.1151 -5.1151 -4.1533 -4.1533 -3.9202 -3.9202 5.7565 5.7565 6.4581 6.4581 6.9033 6.9033 6.9786 6.9786 7.1832 7.1832 8.2371 8.2371 8.8577 8.8577 9.0180 9.0180 9.1153 9.1153 13.0457 13.0457 14.0082 14.0082 14.0388 14.0388 15.6787 15.6787 k = 0.1579 0.5000 0.1579 ( 4860 PWs) bands (ev): -46.2716 -46.2716 -23.0169 -23.0169 -22.5967 -22.5967 -22.3570 -22.3570 -22.3414 -22.3414 -7.2832 -7.2832 -6.2302 -6.2302 -6.1970 -6.1970 -5.1143 -5.1143 -4.1528 -4.1528 -3.9118 -3.9118 5.7586 5.7586 6.5057 6.5057 6.9343 6.9343 7.0159 7.0159 7.2040 7.2040 8.3282 8.3282 8.8070 8.8070 9.0265 9.0265 9.0594 9.0594 12.9802 12.9802 13.9983 13.9983 14.0286 14.0286 15.5814 15.5814 k = 0.1491 0.5000 0.1491 ( 4860 PWs) bands (ev): -46.2717 -46.2717 -23.0165 -23.0165 -22.5982 -22.5982 -22.3554 -22.3554 -22.3397 -22.3397 -7.3113 -7.3113 -6.2370 -6.2370 -6.1849 -6.1849 -5.1143 -5.1143 -4.1534 -4.1534 -3.9037 -3.9037 5.7606 5.7606 6.5562 6.5562 6.9646 6.9646 7.0544 7.0544 7.2215 7.2215 8.4182 8.4182 8.7553 8.7553 9.0025 9.0025 9.0392 9.0392 12.9152 12.9152 13.9895 13.9895 14.0194 14.0194 15.4862 15.4862 k = 0.1404 0.5000 0.1404 ( 4868 PWs) bands (ev): -46.2718 -46.2718 -23.0161 -23.0161 -22.5996 -22.5996 -22.3538 -22.3538 -22.3381 -22.3381 -7.3382 -7.3382 -6.2436 -6.2436 -6.1720 -6.1720 -5.1152 -5.1152 -4.1549 -4.1549 -3.8958 -3.8958 5.7627 5.7627 6.6095 6.6095 6.9940 6.9940 7.0943 7.0943 7.2358 7.2358 8.5069 8.5069 8.7023 8.7023 8.9447 8.9447 9.0557 9.0557 12.8507 12.8507 13.9817 13.9817 14.0112 14.0112 15.3934 15.3934 k = 0.1316 0.5000 0.1316 ( 4872 PWs) bands (ev): -46.2718 -46.2718 -23.0157 -23.0157 -22.6010 -22.6010 -22.3522 -22.3522 -22.3366 -22.3366 -7.3636 -7.3636 -6.2499 -6.2499 -6.1585 -6.1585 -5.1170 -5.1170 -4.1572 -4.1572 -3.8883 -3.8883 5.7647 5.7647 6.6654 6.6654 7.0226 7.0226 7.1353 7.1353 7.2472 7.2472 8.5938 8.5938 8.6482 8.6482 8.8862 8.8862 9.0756 9.0756 12.7872 12.7872 13.9749 13.9749 14.0040 14.0040 15.3035 15.3035 k = 0.1228 0.5000 0.1228 ( 4872 PWs) bands (ev): -46.2719 -46.2719 -23.0154 -23.0154 -22.6023 -22.6023 -22.3508 -22.3508 -22.3351 -22.3351 -7.3876 -7.3876 -6.2560 -6.2560 -6.1445 -6.1445 -5.1195 -5.1195 -4.1603 -4.1603 -3.8810 -3.8810 5.7667 5.7667 6.7237 6.7237 7.0500 7.0500 7.1775 7.1775 7.2560 7.2560 8.5929 8.5929 8.6786 8.6786 8.8270 8.8270 9.0983 9.0983 12.7248 12.7248 13.9690 13.9690 13.9976 13.9976 15.2166 15.2166 k = 0.1140 0.5000 0.1140 ( 4864 PWs) bands (ev): -46.2719 -46.2719 -23.0151 -23.0151 -22.6035 -22.6035 -22.3494 -22.3494 -22.3338 -22.3338 -7.4102 -7.4102 -6.2617 -6.2617 -6.1303 -6.1303 -5.1228 -5.1228 -4.1638 -4.1638 -3.8741 -3.8741 5.7686 5.7686 6.7843 6.7843 7.0764 7.0764 7.2208 7.2208 7.2625 7.2625 8.5364 8.5364 8.7608 8.7608 8.7673 8.7673 9.1233 9.1233 12.6639 12.6639 13.9640 13.9640 13.9921 13.9921 15.1333 15.1333 k = 0.1053 0.5000 0.1053 ( 4876 PWs) bands (ev): -46.2720 -46.2720 -23.0148 -23.0148 -22.6046 -22.6046 -22.3481 -22.3481 -22.3325 -22.3325 -7.4312 -7.4312 -6.2671 -6.2671 -6.1160 -6.1160 -5.1267 -5.1267 -4.1677 -4.1677 -3.8676 -3.8676 5.7704 5.7704 6.8469 6.8469 7.1014 7.1014 7.2622 7.2622 7.2699 7.2699 8.4786 8.4786 8.7072 8.7072 8.8400 8.8400 9.1499 9.1499 12.6049 12.6049 13.9598 13.9598 13.9875 13.9875 15.0540 15.0540 k = 0.0965 0.5000 0.0965 ( 4876 PWs) bands (ev): -46.2720 -46.2720 -23.0145 -23.0145 -22.6057 -22.6057 -22.3469 -22.3469 -22.3313 -22.3313 -7.4506 -7.4506 -6.2721 -6.2721 -6.1018 -6.1018 -5.1312 -5.1312 -4.1719 -4.1719 -3.8614 -3.8614 5.7722 5.7722 6.9113 6.9113 7.1250 7.1250 7.2686 7.2686 7.3116 7.3116 8.4196 8.4196 8.6471 8.6471 8.9158 8.9158 9.1776 9.1776 12.5480 12.5480 13.9564 13.9564 13.9835 13.9835 14.9789 14.9789 k = 0.0877 0.5000 0.0877 ( 4868 PWs) bands (ev): -46.2721 -46.2721 -23.0143 -23.0143 -22.6066 -22.6066 -22.3457 -22.3457 -22.3302 -22.3302 -7.4685 -7.4685 -6.2767 -6.2767 -6.0877 -6.0877 -5.1361 -5.1361 -4.1761 -4.1761 -3.8557 -3.8557 5.7739 5.7739 6.9772 6.9772 7.1471 7.1471 7.2700 7.2700 7.3579 7.3579 8.3593 8.3593 8.5869 8.5869 8.9875 8.9875 9.2056 9.2056 12.4937 12.4937 13.9536 13.9536 13.9803 13.9803 14.9086 14.9086 k = 0.0789 0.5000 0.0789 ( 4868 PWs) bands (ev): -46.2721 -46.2721 -23.0141 -23.0141 -22.6075 -22.6075 -22.3447 -22.3447 -22.3292 -22.3292 -7.4848 -7.4848 -6.2809 -6.2809 -6.0742 -6.0742 -5.1414 -5.1414 -4.1803 -4.1803 -3.8504 -3.8504 5.7754 5.7754 7.0446 7.0446 7.1675 7.1675 7.2702 7.2702 7.4051 7.4051 8.2979 8.2979 8.5271 8.5271 9.0548 9.0548 9.2334 9.2334 12.4424 12.4424 13.9513 13.9513 13.9777 13.9777 14.8434 14.8434 k = 0.0702 0.5000 0.0702 ( 4880 PWs) bands (ev): -46.2722 -46.2722 -23.0139 -23.0139 -22.6083 -22.6083 -22.3437 -22.3437 -22.3283 -22.3283 -7.4994 -7.4994 -6.2847 -6.2847 -6.0612 -6.0612 -5.1467 -5.1467 -4.1844 -4.1844 -3.8456 -3.8456 5.7768 5.7768 7.1129 7.1129 7.1863 7.1863 7.2695 7.2695 7.4528 7.4528 8.2352 8.2352 8.4677 8.4677 9.1169 9.1169 9.2604 9.2604 12.3947 12.3947 13.9496 13.9496 13.9756 13.9756 14.7838 14.7838 k = 0.0614 0.5000 0.0614 ( 4872 PWs) bands (ev): -46.2722 -46.2722 -23.0138 -23.0138 -22.6090 -22.6090 -22.3429 -22.3429 -22.3274 -22.3274 -7.5123 -7.5123 -6.2881 -6.2881 -6.0492 -6.0492 -5.1521 -5.1521 -4.1882 -4.1882 -3.8413 -3.8413 5.7781 5.7781 7.1813 7.1813 7.2039 7.2039 7.2685 7.2685 7.5008 7.5008 8.1715 8.1715 8.4093 8.4093 9.1733 9.1733 9.2861 9.2861 12.3509 12.3509 13.9483 13.9483 13.9740 13.9740 14.7300 14.7300 k = 0.0526 0.5000 0.0526 ( 4872 PWs) bands (ev): -46.2722 -46.2722 -23.0137 -23.0137 -22.6096 -22.6096 -22.3421 -22.3421 -22.3267 -22.3267 -7.5236 -7.5236 -6.2910 -6.2910 -6.0381 -6.0381 -5.1572 -5.1572 -4.1917 -4.1917 -3.8376 -3.8376 5.7793 5.7793 7.2163 7.2163 7.2529 7.2529 7.2676 7.2676 7.5486 7.5486 8.1068 8.1068 8.3523 8.3523 9.2233 9.2233 9.3099 9.3099 12.3116 12.3116 13.9473 13.9473 13.9728 13.9728 14.6826 14.6826 k = 0.0439 0.5000 0.0439 ( 4868 PWs) bands (ev): -46.2723 -46.2723 -23.0136 -23.0136 -22.6101 -22.6101 -22.3415 -22.3415 -22.3261 -22.3261 -7.5332 -7.5332 -6.2935 -6.2935 -6.0284 -6.0284 -5.1619 -5.1619 -4.1947 -4.1947 -3.8344 -3.8344 5.7803 5.7803 7.2292 7.2292 7.2654 7.2654 7.3237 7.3237 7.5956 7.5956 8.0412 8.0412 8.2973 8.2973 9.2661 9.2661 9.3317 9.3317 12.2772 12.2772 13.9465 13.9465 13.9719 13.9719 14.6418 14.6418 k = 0.0351 0.5000 0.0351 ( 4880 PWs) bands (ev): -46.2723 -46.2723 -23.0135 -23.0135 -22.6106 -22.6106 -22.3410 -22.3410 -22.3256 -22.3256 -7.5410 -7.5410 -6.2956 -6.2956 -6.0201 -6.0201 -5.1661 -5.1661 -4.1973 -4.1973 -3.8317 -3.8317 5.7811 5.7811 7.2394 7.2394 7.2644 7.2644 7.3937 7.3937 7.6407 7.6407 7.9752 7.9752 8.2456 8.2456 9.3009 9.3009 9.3513 9.3513 12.2483 12.2483 13.9460 13.9460 13.9713 13.9713 14.6079 14.6079 k = 0.0263 0.5000 0.0263 ( 4880 PWs) bands (ev): -46.2723 -46.2723 -23.0134 -23.0134 -22.6109 -22.6109 -22.3406 -22.3406 -22.3252 -22.3252 -7.5471 -7.5471 -6.2972 -6.2972 -6.0134 -6.0134 -5.1695 -5.1695 -4.1994 -4.1994 -3.8297 -3.8297 5.7817 5.7817 7.2469 7.2469 7.2638 7.2638 7.4633 7.4633 7.6821 7.6821 7.9093 7.9093 8.1987 8.1987 9.3271 9.3271 9.3683 9.3683 12.2253 12.2253 13.9457 13.9457 13.9709 13.9709 14.5813 14.5813 k = 0.0175 0.5000 0.0175 ( 4880 PWs) bands (ev): -46.2723 -46.2723 -23.0134 -23.0134 -22.6111 -22.6111 -22.3403 -22.3403 -22.3250 -22.3250 -7.5515 -7.5515 -6.2983 -6.2983 -6.0085 -6.0085 -5.1721 -5.1721 -4.2009 -4.2009 -3.8282 -3.8282 5.7822 5.7822 7.2515 7.2515 7.2641 7.2641 7.5308 7.5308 7.7162 7.7162 7.8454 7.8454 8.1596 8.1596 9.3448 9.3448 9.3821 9.3821 12.2086 12.2086 13.9454 13.9454 13.9707 13.9707 14.5621 14.5621 k = 0.0088 0.5000 0.0088 ( 4896 PWs) bands (ev): -46.2723 -46.2723 -23.0133 -23.0133 -22.6113 -22.6113 -22.3401 -22.3401 -22.3248 -22.3248 -7.5541 -7.5541 -6.2990 -6.2990 -6.0056 -6.0056 -5.1737 -5.1737 -4.2018 -4.2018 -3.8273 -3.8273 5.7825 5.7825 7.2536 7.2536 7.2650 7.2650 7.5920 7.5920 7.7354 7.7354 7.7913 7.7913 8.1327 8.1327 9.3548 9.3548 9.3912 9.3912 12.1984 12.1984 13.9453 13.9453 13.9706 13.9706 14.5506 14.5506 k = 0.0000 0.5000-0.0000 ( 4918 PWs) bands (ev): -46.2723 -46.2723 -23.0133 -23.0133 -22.6113 -22.6113 -22.3400 -22.3400 -22.3247 -22.3247 -7.5550 -7.5550 -6.2992 -6.2992 -6.0046 -6.0046 -5.1742 -5.1742 -4.2021 -4.2021 -3.8270 -3.8270 5.7826 5.7826 7.2541 7.2541 7.2654 7.2654 7.6245 7.6245 7.7304 7.7304 7.7732 7.7732 8.1229 8.1229 9.3580 9.3580 9.3944 9.3944 12.1950 12.1950 13.9452 13.9452 13.9705 13.9705 14.5467 14.5467 k = 0.5000 0.5000-0.0000 ( 4812 PWs) bands (ev): -46.2708 -46.2708 -23.0226 -23.0226 -22.5694 -22.5694 -22.4006 -22.4006 -22.3462 -22.3462 -6.6762 -6.6762 -6.5784 -6.5784 -6.4054 -6.4054 -4.9519 -4.9519 -4.0396 -4.0396 -3.9147 -3.9147 5.4595 5.4595 5.5753 5.5753 5.9216 5.9216 7.2515 7.2515 7.2527 7.2527 8.3795 8.3795 8.5241 8.5241 8.5487 8.5487 10.0105 10.0105 13.9583 13.9583 13.9773 13.9773 14.4316 14.4316 15.5060 15.5060 k = 0.5000 0.5000 0.0122 ( 4820 PWs) bands (ev): -46.2708 -46.2708 -23.0226 -23.0226 -22.5694 -22.5694 -22.4005 -22.4005 -22.3463 -22.3463 -6.6752 -6.6752 -6.5778 -6.5778 -6.4049 -6.4049 -4.9526 -4.9526 -4.0403 -4.0403 -3.9155 -3.9155 5.4609 5.4609 5.5754 5.5754 5.9216 5.9216 7.2489 7.2489 7.2498 7.2498 8.3745 8.3745 8.5279 8.5279 8.5522 8.5522 10.0106 10.0106 13.9590 13.9590 13.9780 13.9780 14.4319 14.4319 15.5113 15.5113 k = 0.5000 0.5000 0.0244 ( 4820 PWs) bands (ev): -46.2708 -46.2708 -23.0227 -23.0227 -22.5693 -22.5693 -22.4005 -22.4005 -22.3466 -22.3466 -6.6724 -6.6724 -6.5762 -6.5762 -6.4035 -6.4035 -4.9546 -4.9546 -4.0425 -4.0425 -3.9178 -3.9178 5.4649 5.4649 5.5756 5.5756 5.9217 5.9217 7.2412 7.2412 7.2412 7.2412 8.3597 8.3597 8.5393 8.5393 8.5628 8.5628 10.0110 10.0110 13.9612 13.9612 13.9802 13.9802 14.4329 14.4329 15.5272 15.5272 k = 0.5000 0.5000 0.0366 ( 4820 PWs) bands (ev): -46.2708 -46.2708 -23.0228 -23.0228 -22.5692 -22.5692 -22.4005 -22.4005 -22.3469 -22.3469 -6.6677 -6.6677 -6.5736 -6.5736 -6.4011 -6.4011 -4.9579 -4.9579 -4.0460 -4.0460 -3.9217 -3.9217 5.4715 5.4715 5.5760 5.5760 5.9218 5.9218 7.2273 7.2273 7.2287 7.2287 8.3352 8.3352 8.5579 8.5579 8.5801 8.5801 10.0116 10.0116 13.9650 13.9650 13.9839 13.9839 14.4344 14.4344 15.5535 15.5535 k = 0.5000 0.5000 0.0488 ( 4820 PWs) bands (ev): -46.2708 -46.2708 -23.0230 -23.0230 -22.5690 -22.5690 -22.4005 -22.4005 -22.3475 -22.3475 -6.6611 -6.6611 -6.5698 -6.5698 -6.3978 -6.3978 -4.9626 -4.9626 -4.0509 -4.0509 -3.9271 -3.9271 5.4807 5.4807 5.5765 5.5765 5.9220 5.9220 7.2085 7.2085 7.2118 7.2118 8.3013 8.3013 8.5831 8.5831 8.6037 8.6037 10.0125 10.0125 13.9702 13.9702 13.9890 13.9890 14.4366 14.4366 15.5897 15.5897 k = 0.5000 0.5000 0.0610 ( 4820 PWs) bands (ev): -46.2707 -46.2707 -23.0232 -23.0232 -22.5688 -22.5688 -22.4004 -22.4004 -22.3482 -22.3482 -6.6527 -6.6527 -6.5650 -6.5650 -6.3935 -6.3935 -4.9685 -4.9685 -4.0572 -4.0572 -3.9339 -3.9339 5.4925 5.4925 5.5771 5.5771 5.9222 5.9222 7.1854 7.1854 7.1910 7.1910 8.2585 8.2585 8.6144 8.6144 8.6331 8.6331 10.0136 10.0136 13.9769 13.9769 13.9956 13.9956 14.4394 14.4394 15.6355 15.6355 k = 0.5000 0.5000 0.0732 ( 4824 PWs) bands (ev): -46.2707 -46.2707 -23.0234 -23.0234 -22.5685 -22.5685 -22.4004 -22.4004 -22.3490 -22.3490 -6.6425 -6.6425 -6.5592 -6.5592 -6.3884 -6.3884 -4.9757 -4.9757 -4.0648 -4.0648 -3.9423 -3.9423 5.5068 5.5068 5.5779 5.5779 5.9225 5.9225 7.1588 7.1588 7.1669 7.1669 8.2073 8.2073 8.6509 8.6509 8.6676 8.6676 10.0149 10.0149 13.9850 13.9850 14.0036 14.0036 14.4428 14.4428 15.6902 15.6902 k = 0.5000 0.5000 0.0854 ( 4840 PWs) bands (ev): -46.2707 -46.2707 -23.0237 -23.0237 -22.5681 -22.5681 -22.4003 -22.4003 -22.3499 -22.3499 -6.6306 -6.6306 -6.5523 -6.5523 -6.3823 -6.3823 -4.9842 -4.9842 -4.0736 -4.0736 -3.9521 -3.9521 5.5234 5.5234 5.5787 5.5787 5.9228 5.9228 7.1293 7.1293 7.1401 7.1401 8.1483 8.1483 8.6921 8.6921 8.7065 8.7065 10.0165 10.0165 13.9946 13.9946 14.0130 14.0130 14.4468 14.4468 15.7532 15.7532 k = 0.5000 0.5000 0.0976 ( 4820 PWs) bands (ev): -46.2707 -46.2707 -23.0241 -23.0241 -22.5678 -22.5678 -22.4002 -22.4002 -22.3510 -22.3510 -6.6170 -6.6170 -6.5444 -6.5444 -6.3754 -6.3754 -4.9939 -4.9939 -4.0837 -4.0837 -3.9633 -3.9633 5.5423 5.5423 5.5797 5.5797 5.9232 5.9232 7.0975 7.0975 7.1111 7.1111 8.0822 8.0822 8.7372 8.7372 8.7494 8.7494 10.0183 10.0183 14.0056 14.0056 14.0238 14.0238 14.4513 14.4513 15.8237 15.8237 k = 0.5000 0.5000 0.1098 ( 4832 PWs) bands (ev): -46.2706 -46.2706 -23.0245 -23.0245 -22.5673 -22.5673 -22.4001 -22.4001 -22.3522 -22.3522 -6.6017 -6.6017 -6.5355 -6.5355 -6.3675 -6.3675 -5.0048 -5.0048 -4.0950 -4.0950 -3.9758 -3.9758 5.5635 5.5635 5.5807 5.5807 5.9236 5.9236 7.0639 7.0639 7.0804 7.0804 8.0098 8.0098 8.7856 8.7856 8.7956 8.7956 10.0203 10.0203 14.0179 14.0179 14.0360 14.0360 14.4564 14.4564 15.9008 15.9008 k = 0.5000 0.5000 0.1220 ( 4832 PWs) bands (ev): -46.2706 -46.2706 -23.0249 -23.0249 -22.5669 -22.5669 -22.4000 -22.4000 -22.3536 -22.3536 -6.5850 -6.5850 -6.5255 -6.5255 -6.3588 -6.3588 -5.0168 -5.0168 -4.1074 -4.1074 -3.9897 -3.9897 5.5819 5.5819 5.5866 5.5866 5.9241 5.9241 7.0291 7.0291 7.0485 7.0485 7.9317 7.9317 8.8367 8.8367 8.8446 8.8446 10.0225 10.0225 14.0317 14.0317 14.0495 14.0495 14.4619 14.4619 15.9838 15.9838 k = 0.5000 0.5000 0.1341 ( 4832 PWs) bands (ev): -46.2706 -46.2706 -23.0254 -23.0254 -22.5664 -22.5664 -22.3999 -22.3999 -22.3550 -22.3550 -6.5667 -6.5667 -6.5145 -6.5145 -6.3493 -6.3493 -5.0299 -5.0299 -4.1209 -4.1209 -4.0048 -4.0048 5.5830 5.5830 5.6117 5.6117 5.9245 5.9245 6.9934 6.9934 7.0157 7.0157 7.8486 7.8486 8.8900 8.8900 8.8959 8.8959 10.0249 10.0249 14.0467 14.0467 14.0644 14.0644 14.4679 14.4679 16.0716 16.0716 k = 0.5000 0.5000 0.1463 ( 4840 PWs) bands (ev): -46.2705 -46.2705 -23.0259 -23.0259 -22.5658 -22.5658 -22.3998 -22.3998 -22.3565 -22.3565 -6.5471 -6.5471 -6.5026 -6.5026 -6.3390 -6.3390 -5.0441 -5.0441 -4.1353 -4.1353 -4.0211 -4.0211 5.5842 5.5842 5.6386 5.6386 5.9251 5.9251 6.9573 6.9573 6.9825 6.9825 7.7614 7.7614 8.9451 8.9451 8.9490 8.9490 10.0275 10.0275 14.0630 14.0630 14.0805 14.0805 14.4743 14.4743 16.1635 16.1635 k = 0.5000 0.5000 0.1585 ( 4816 PWs) bands (ev): -46.2705 -46.2705 -23.0264 -23.0264 -22.5652 -22.5652 -22.3997 -22.3997 -22.3582 -22.3582 -6.5262 -6.5262 -6.4897 -6.4897 -6.3279 -6.3279 -5.0593 -5.0593 -4.1506 -4.1506 -4.0385 -4.0385 5.5854 5.5854 5.6670 5.6670 5.9256 5.9256 6.9211 6.9211 6.9491 6.9491 7.6708 7.6708 9.0016 9.0016 9.0036 9.0036 10.0302 10.0302 14.0806 14.0806 14.0978 14.0978 14.4811 14.4811 16.2584 16.2584 k = 0.5000 0.5000 0.1707 ( 4816 PWs) bands (ev): -46.2704 -46.2704 -23.0270 -23.0270 -22.5646 -22.5646 -22.3995 -22.3995 -22.3599 -22.3599 -6.5041 -6.5041 -6.4759 -6.4759 -6.3161 -6.3161 -5.0755 -5.0755 -4.1667 -4.1667 -4.0569 -4.0569 5.5865 5.5865 5.6969 5.6969 5.9262 5.9262 6.8850 6.8850 6.9157 6.9157 7.5775 7.5775 9.0590 9.0590 9.0593 9.0593 10.0331 10.0331 14.0993 14.0993 14.1163 14.1163 14.4883 14.4883 16.3552 16.3552 k = 0.5000 0.5000 0.1829 ( 4840 PWs) bands (ev): -46.2704 -46.2704 -23.0276 -23.0276 -22.5640 -22.5640 -22.3994 -22.3994 -22.3616 -22.3616 -6.4810 -6.4810 -6.4611 -6.4611 -6.3035 -6.3035 -5.0927 -5.0927 -4.1835 -4.1835 -4.0764 -4.0764 5.5876 5.5876 5.7281 5.7281 5.9268 5.9268 6.8492 6.8492 6.8826 6.8826 7.4821 7.4821 9.1158 9.1158 9.1171 9.1171 10.0361 10.0361 14.1191 14.1191 14.1360 14.1360 14.4958 14.4958 16.4529 16.4529 k = 0.5000 0.5000 0.1951 ( 4832 PWs) bands (ev): -46.2703 -46.2703 -23.0282 -23.0282 -22.5634 -22.5634 -22.3993 -22.3993 -22.3635 -22.3635 -6.4569 -6.4569 -6.4454 -6.4454 -6.2903 -6.2903 -5.1107 -5.1107 -4.2010 -4.2010 -4.0966 -4.0966 5.5886 5.5886 5.7603 5.7603 5.9275 5.9275 6.8140 6.8140 6.8499 6.8499 7.3854 7.3854 9.1727 9.1727 9.1755 9.1755 10.0392 10.0392 14.1400 14.1400 14.1567 14.1567 14.5036 14.5036 16.5503 16.5503 k = 0.5000 0.5000 0.2073 ( 4840 PWs) bands (ev): -46.2703 -46.2703 -23.0288 -23.0288 -22.5627 -22.5627 -22.3991 -22.3991 -22.3653 -22.3653 -6.4320 -6.4320 -6.4289 -6.4289 -6.2765 -6.2765 -5.1295 -5.1295 -4.2190 -4.2190 -4.1177 -4.1177 5.5894 5.5894 5.7935 5.7935 5.9281 5.9281 6.7795 6.7795 6.8179 6.8179 7.2879 7.2879 9.2297 9.2297 9.2339 9.2339 10.0424 10.0424 14.1619 14.1619 14.1784 14.1784 14.5115 14.5115 16.6461 16.6461 k = 0.5000 0.5000 0.2195 ( 4848 PWs) bands (ev): -46.2702 -46.2702 -23.0295 -23.0295 -22.5620 -22.5620 -22.3990 -22.3990 -22.3672 -22.3672 -6.4115 -6.4115 -6.4064 -6.4064 -6.2621 -6.2621 -5.1491 -5.1491 -4.2374 -4.2374 -4.1395 -4.1395 5.5901 5.5901 5.8273 5.8273 5.9288 5.9288 6.7458 6.7458 6.7866 6.7866 7.1903 7.1903 9.2867 9.2867 9.2922 9.2922 10.0457 10.0457 14.1847 14.1847 14.2010 14.2010 14.5197 14.5197 16.7386 16.7386 k = 0.5000 0.5000 0.2317 ( 4832 PWs) bands (ev): -46.2701 -46.2701 -23.0302 -23.0302 -22.5613 -22.5613 -22.3988 -22.3988 -22.3692 -22.3692 -6.3933 -6.3933 -6.3803 -6.3803 -6.2472 -6.2472 -5.1695 -5.1695 -4.2561 -4.2561 -4.1619 -4.1619 5.5905 5.5905 5.8615 5.8615 5.9296 5.9296 6.7131 6.7131 6.7561 6.7561 7.0932 7.0932 9.3433 9.3433 9.3499 9.3499 10.0490 10.0490 14.2083 14.2083 14.2245 14.2245 14.5280 14.5280 16.8260 16.8260 k = 0.5000 0.5000 0.2439 ( 4816 PWs) bands (ev): -46.2701 -46.2701 -23.0308 -23.0308 -22.5606 -22.5606 -22.3987 -22.3987 -22.3711 -22.3711 -6.3743 -6.3743 -6.3538 -6.3538 -6.2319 -6.2319 -5.1905 -5.1905 -4.2750 -4.2750 -4.1848 -4.1848 5.5906 5.5906 5.8960 5.8960 5.9304 5.9304 6.6815 6.6815 6.7267 6.7267 6.9972 6.9972 9.3993 9.3993 9.4069 9.4069 10.0524 10.0524 14.2327 14.2327 14.2487 14.2487 14.5364 14.5364 16.9063 16.9063 k = 0.5000 0.5000 0.2561 ( 4816 PWs) bands (ev): -46.2700 -46.2700 -23.0315 -23.0315 -22.5599 -22.5599 -22.3985 -22.3985 -22.3730 -22.3730 -6.3545 -6.3545 -6.3271 -6.3271 -6.2161 -6.2161 -5.2121 -5.2121 -4.2941 -4.2941 -4.2080 -4.2080 5.5903 5.5903 5.9273 5.9273 5.9344 5.9344 6.6510 6.6510 6.6982 6.6982 6.9028 6.9028 9.4545 9.4545 9.4630 9.4630 10.0557 10.0557 14.2577 14.2577 14.2736 14.2736 14.5448 14.5448 16.9773 16.9773 k = 0.5000 0.5000 0.2683 ( 4820 PWs) bands (ev): -46.2700 -46.2700 -23.0322 -23.0322 -22.5592 -22.5592 -22.3984 -22.3984 -22.3749 -22.3749 -6.3341 -6.3341 -6.3003 -6.3003 -6.2000 -6.2000 -5.2344 -5.2344 -4.3131 -4.3131 -4.2315 -4.2315 5.5896 5.5896 5.9311 5.9311 5.9659 5.9659 6.6218 6.6218 6.6708 6.6708 6.8105 6.8105 9.5086 9.5086 9.5179 9.5179 10.0591 10.0591 14.2832 14.2832 14.2990 14.2990 14.5532 14.5532 17.0367 17.0367 k = 0.5000 0.5000 0.2805 ( 4828 PWs) bands (ev): -46.2699 -46.2699 -23.0329 -23.0329 -22.5585 -22.5585 -22.3982 -22.3982 -22.3768 -22.3768 -6.3129 -6.3129 -6.2736 -6.2736 -6.1837 -6.1837 -5.2571 -5.2571 -4.3320 -4.3320 -4.2552 -4.2552 5.5884 5.5884 5.9319 5.9319 5.9999 5.9999 6.5939 6.5939 6.6446 6.6446 6.7209 6.7209 9.5614 9.5614 9.5714 9.5714 10.0625 10.0625 14.3091 14.3091 14.3248 14.3248 14.5616 14.5616 17.0832 17.0832 k = 0.5000 0.5000 0.2927 ( 4824 PWs) bands (ev): -46.2699 -46.2699 -23.0336 -23.0336 -22.5578 -22.5578 -22.3981 -22.3981 -22.3787 -22.3787 -6.2912 -6.2912 -6.2472 -6.2472 -6.1671 -6.1671 -5.2803 -5.2803 -4.3507 -4.3507 -4.2788 -4.2788 5.5865 5.5865 5.9326 5.9326 6.0335 6.0335 6.5675 6.5675 6.6191 6.6191 6.6349 6.6349 9.6127 9.6127 9.6233 9.6233 10.0658 10.0658 14.3352 14.3352 14.3510 14.3510 14.5699 14.5699 17.1166 17.1166 k = 0.5000 0.5000 0.3049 ( 4824 PWs) bands (ev): -46.2698 -46.2698 -23.0343 -23.0343 -22.5571 -22.5571 -22.3979 -22.3979 -22.3805 -22.3805 -6.2689 -6.2689 -6.2212 -6.2212 -6.1504 -6.1504 -5.3040 -5.3040 -4.3691 -4.3691 -4.3023 -4.3023 5.5839 5.5839 5.9333 5.9333 6.0663 6.0663 6.5424 6.5424 6.5512 6.5512 6.5962 6.5962 9.6623 9.6623 9.6735 9.6735 10.0690 10.0690 14.3615 14.3615 14.3772 14.3772 14.5780 14.5780 17.1381 17.1381 k = 0.5000 0.5000 0.3171 ( 4824 PWs) bands (ev): -46.2697 -46.2697 -23.0349 -23.0349 -22.5565 -22.5565 -22.3978 -22.3978 -22.3823 -22.3823 -6.2462 -6.2462 -6.1959 -6.1959 -6.1337 -6.1337 -5.3280 -5.3280 -4.3870 -4.3870 -4.3256 -4.3256 5.5805 5.5805 5.9340 5.9340 6.0981 6.0981 6.4726 6.4726 6.5189 6.5189 6.5737 6.5737 9.7101 9.7101 9.7217 9.7217 10.0722 10.0722 14.3878 14.3878 14.4035 14.4035 14.5859 14.5859 17.1497 17.1497 k = 0.5000 0.5000 0.3293 ( 4824 PWs) bands (ev): -46.2697 -46.2697 -23.0356 -23.0356 -22.5558 -22.5558 -22.3977 -22.3977 -22.3840 -22.3840 -6.2229 -6.2229 -6.1714 -6.1714 -6.1170 -6.1170 -5.3522 -5.3522 -4.4043 -4.4043 -4.3484 -4.3484 5.5760 5.5760 5.9346 5.9346 6.1287 6.1287 6.3985 6.3985 6.4970 6.4970 6.5526 6.5526 9.7558 9.7558 9.7677 9.7677 10.0753 10.0753 14.4138 14.4138 14.4295 14.4295 14.5936 14.5936 17.1537 17.1537 k = 0.5000 0.5000 0.3415 ( 4816 PWs) bands (ev): -46.2696 -46.2696 -23.0362 -23.0362 -22.5552 -22.5552 -22.3975 -22.3975 -22.3856 -22.3856 -6.1994 -6.1994 -6.1480 -6.1480 -6.1004 -6.1004 -5.3767 -5.3767 -4.4209 -4.4209 -4.3707 -4.3707 5.5706 5.5706 5.9352 5.9352 6.1577 6.1577 6.3294 6.3294 6.4768 6.4768 6.5329 6.5329 9.7992 9.7992 9.8114 9.8114 10.0783 10.0783 14.4395 14.4395 14.4552 14.4552 14.6010 14.6010 17.1523 17.1523 k = 0.5000 0.5000 0.3537 ( 4816 PWs) bands (ev): -46.2696 -46.2696 -23.0368 -23.0368 -22.5546 -22.5546 -22.3974 -22.3974 -22.3871 -22.3871 -6.1756 -6.1756 -6.1258 -6.1258 -6.0840 -6.0840 -5.4013 -5.4013 -4.4368 -4.4368 -4.3923 -4.3923 5.5639 5.5639 5.9357 5.9357 6.1850 6.1850 6.2658 6.2658 6.4584 6.4584 6.5145 6.5145 9.8401 9.8401 9.8526 9.8526 10.0811 10.0811 14.4646 14.4646 14.4802 14.4802 14.6081 14.6081 17.1472 17.1472 k = 0.5000 0.5000 0.3659 ( 4820 PWs) bands (ev): -46.2696 -46.2696 -23.0373 -23.0373 -22.5541 -22.5541 -22.3973 -22.3973 -22.3886 -22.3886 -6.1517 -6.1517 -6.1050 -6.1050 -6.0679 -6.0679 -5.4259 -5.4259 -4.4519 -4.4519 -4.4129 -4.4129 5.5560 5.5560 5.9363 5.9363 6.2079 6.2079 6.2103 6.2103 6.4419 6.4419 6.4976 6.4976 9.8785 9.8785 9.8912 9.8912 10.0838 10.0838 14.4889 14.4889 14.5045 14.5045 14.6149 14.6149 17.1398 17.1398 k = 0.5000 0.5000 0.3780 ( 4812 PWs) bands (ev): -46.2695 -46.2695 -23.0379 -23.0379 -22.5536 -22.5536 -22.3972 -22.3972 -22.3899 -22.3899 -6.1278 -6.1278 -6.0859 -6.0859 -6.0521 -6.0521 -5.4503 -5.4503 -4.4659 -4.4659 -4.4326 -4.4326 5.5470 5.5470 5.9368 5.9368 6.1560 6.1560 6.2333 6.2333 6.4276 6.4276 6.4821 6.4821 9.9141 9.9141 9.9269 9.9269 10.0863 10.0863 14.5122 14.5122 14.5277 14.5277 14.6214 14.6214 17.1309 17.1309 k = 0.5000 0.5000 0.3902 ( 4804 PWs) bands (ev): -46.2695 -46.2695 -23.0384 -23.0384 -22.5531 -22.5531 -22.3971 -22.3971 -22.3911 -22.3911 -6.1040 -6.1040 -6.0685 -6.0685 -6.0368 -6.0368 -5.4745 -5.4745 -4.4789 -4.4789 -4.4510 -4.4510 5.5368 5.5368 5.9372 5.9372 6.1102 6.1102 6.2534 6.2534 6.4156 6.4156 6.4680 6.4680 9.9467 9.9467 9.9597 9.9597 10.0887 10.0887 14.5343 14.5343 14.5495 14.5495 14.6274 14.6274 17.1214 17.1214 k = 0.5000 0.5000 0.4024 ( 4804 PWs) bands (ev): -46.2694 -46.2694 -23.0388 -23.0388 -22.5527 -22.5527 -22.3970 -22.3970 -22.3923 -22.3923 -6.0807 -6.0807 -6.0529 -6.0529 -6.0223 -6.0223 -5.4983 -5.4983 -4.4908 -4.4908 -4.4680 -4.4680 5.5257 5.5257 5.9376 5.9376 6.0706 6.0706 6.2704 6.2704 6.4064 6.4064 6.4554 6.4554 9.9763 9.9763 9.9895 9.9895 10.0909 10.0909 14.5549 14.5549 14.5698 14.5698 14.6332 14.6332 17.1118 17.1118 k = 0.5000 0.5000 0.4146 ( 4812 PWs) bands (ev): -46.2694 -46.2694 -23.0392 -23.0392 -22.5523 -22.5523 -22.3969 -22.3969 -22.3933 -22.3933 -6.0580 -6.0580 -6.0392 -6.0392 -6.0088 -6.0088 -5.5213 -5.5213 -4.5014 -4.5014 -4.4835 -4.4835 5.5141 5.5141 5.9380 5.9380 6.0370 6.0370 6.2836 6.2836 6.4002 6.4002 6.4442 6.4442 10.0026 10.0026 10.0160 10.0160 10.0930 10.0930 14.5739 14.5739 14.5880 14.5880 14.6387 14.6387 17.1025 17.1025 k = 0.5000 0.5000 0.4268 ( 4820 PWs) bands (ev): -46.2694 -46.2694 -23.0396 -23.0396 -22.5520 -22.5520 -22.3969 -22.3969 -22.3942 -22.3942 -6.0363 -6.0363 -6.0272 -6.0272 -5.9965 -5.9965 -5.5432 -5.5432 -4.5108 -4.5108 -4.4973 -4.4973 5.5025 5.5025 5.9383 5.9383 6.0091 6.0091 6.2929 6.2929 6.3973 6.3973 6.4345 6.4345 10.0256 10.0256 10.0392 10.0392 10.0949 10.0949 14.5909 14.5909 14.6039 14.6039 14.6440 14.6440 17.0937 17.0937 k = 0.5000 0.5000 0.4390 ( 4820 PWs) bands (ev): -46.2694 -46.2694 -23.0399 -23.0399 -22.5517 -22.5517 -22.3968 -22.3968 -22.3949 -22.3949 -6.0171 -6.0171 -6.0160 -6.0160 -5.9857 -5.9857 -5.5637 -5.5637 -4.5188 -4.5188 -4.5092 -4.5092 5.4913 5.4913 5.9386 5.9386 5.9865 5.9865 6.2984 6.2984 6.3973 6.3973 6.4263 6.4263 10.0450 10.0450 10.0591 10.0591 10.0967 10.0967 14.6057 14.6057 14.6170 14.6170 14.6495 14.6495 17.0856 17.0856 k = 0.5000 0.5000 0.4512 ( 4812 PWs) bands (ev): -46.2693 -46.2693 -23.0401 -23.0401 -22.5514 -22.5514 -22.3968 -22.3968 -22.3955 -22.3955 -6.0088 -6.0088 -5.9977 -5.9977 -5.9767 -5.9767 -5.5821 -5.5821 -4.5255 -4.5255 -4.5192 -4.5192 5.4813 5.4813 5.9389 5.9389 5.9688 5.9688 6.3010 6.3010 6.3993 6.3993 6.4196 6.4196 10.0607 10.0607 10.0754 10.0754 10.0985 10.0985 14.6182 14.6182 14.6270 14.6270 14.6550 14.6550 17.0783 17.0783 k = 0.5000 0.5000 0.4634 ( 4804 PWs) bands (ev): -46.2693 -46.2693 -23.0403 -23.0403 -22.5512 -22.5512 -22.3967 -22.3967 -22.3960 -22.3960 -6.0022 -6.0022 -5.9822 -5.9822 -5.9694 -5.9694 -5.5977 -5.5977 -4.5307 -4.5307 -4.5271 -4.5271 5.4728 5.4728 5.9390 5.9390 5.9556 5.9556 6.3018 6.3018 6.4022 6.4022 6.4143 6.4143 10.0726 10.0726 10.0882 10.0882 10.1004 10.1004 14.6281 14.6281 14.6338 14.6338 14.6605 14.6605 17.0717 17.0722 k = 0.5000 0.5000 0.4756 ( 4788 PWs) bands (ev): -46.2693 -46.2693 -23.0405 -23.0405 -22.5511 -22.5511 -22.3967 -22.3967 -22.3964 -22.3964 -5.9976 -5.9976 -5.9702 -5.9702 -5.9642 -5.9642 -5.6098 -5.6098 -4.5344 -4.5344 -4.5328 -4.5328 5.4664 5.4664 5.9392 5.9392 5.9464 5.9464 6.3017 6.3017 6.4050 6.4050 6.4106 6.4106 10.0805 10.0805 10.0974 10.0974 10.1024 10.1024 14.6353 14.6353 14.6381 14.6381 14.6652 14.6652 17.0660 17.0670 k = 0.5000 0.5000 0.4878 ( 4776 PWs) bands (ev): -46.2693 -46.2693 -23.0405 -23.0405 -22.5510 -22.5510 -22.3967 -22.3967 -22.3966 -22.3966 -5.9947 -5.9947 -5.9626 -5.9626 -5.9610 -5.9610 -5.6174 -5.6174 -4.5367 -4.5367 -4.5363 -4.5363 5.4624 5.4624 5.9393 5.9393 5.9410 5.9410 6.3014 6.3014 6.4069 6.4069 6.4084 6.4084 10.0847 10.0847 10.1029 10.1029 10.1041 10.1041 14.6397 14.6397 14.6404 14.6404 14.6683 14.6683 17.0619 17.0636 k = 0.5000 0.5000 0.5000 ( 4776 PWs) bands (ev): -46.2693 -46.2693 -23.0406 -23.0406 -22.5510 -22.5510 -22.3967 -22.3967 -22.3967 -22.3967 -5.9938 -5.9938 -5.9600 -5.9600 -5.9600 -5.9600 -5.6201 -5.6201 -4.5374 -4.5374 -4.5374 -4.5374 5.4610 5.4610 5.9393 5.9393 5.9393 5.9393 6.3013 6.3013 6.4076 6.4076 6.4076 6.4076 10.0860 10.0860 10.1047 10.1047 10.1047 10.1047 14.6411 14.6411 14.6411 14.6411 14.6694 14.6694 17.0604 17.0604 Writing output data file SrTiO3.save init_run : 0.22s CPU 0.32s WALL ( 1 calls) electrons : 212.12s CPU 215.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 212.12s CPU 215.18s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 313 calls) cegterg : 201.75s CPU 204.33s WALL ( 630 calls) Called by sum_band: Called by *egterg: h_psi : 117.98s CPU 119.53s WALL ( 11264 calls) s_psi : 3.44s CPU 3.73s WALL ( 11264 calls) g_psi : 0.39s CPU 0.37s WALL ( 10321 calls) cdiaghg : 65.55s CPU 66.47s WALL ( 10634 calls) cegterg:over : 8.14s CPU 7.88s WALL ( 10321 calls) cegterg:upda : 6.84s CPU 7.13s WALL ( 10321 calls) cegterg:last : 4.11s CPU 4.04s WALL ( 1753 calls) cdiaghg:chol : 3.94s CPU 3.70s WALL ( 10634 calls) cdiaghg:inve : 2.51s CPU 2.44s WALL ( 10634 calls) cdiaghg:para : 3.44s CPU 3.80s WALL ( 21268 calls) Called by h_psi: h_psi:vloc : 106.26s CPU 107.92s WALL ( 11264 calls) h_psi:vnl : 11.37s CPU 11.27s WALL ( 11264 calls) add_vuspsi : 5.58s CPU 5.55s WALL ( 11264 calls) General routines calbec : 5.75s CPU 5.69s WALL ( 11264 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.67s CPU 102.48s WALL ( 986788 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.22s WALL ( 626 calls) Parallel routines fft_scatter : 33.77s CPU 33.83s WALL ( 986811 calls) PWSCF : 3m47.24s CPU 4m 1.76s WALL This run was terminated on: 21: 3:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=