Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:58:50 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: ./SrRuO3.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 39 11 1117 1081 172 Max 40 40 13 1120 1101 176 Sum 1425 1405 421 40243 39223 6235 bravais-lattice index = 14 lattice parameter (alat) = 7.4132 a.u. unit-cell volume = 407.3974 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.413206 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 Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 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) Ru 16.00 101.07000 Ru( 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: 40243 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 39223 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 280, 52) NL pseudopotentials 0.23 Mb ( 140, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1120) G-vector shells 0.00 Mb ( 288) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.89 Mb ( 280, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.17 Mb ( 110, 2, 52) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./SrRuO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.8 secs Computing kpt #: 18 total cpu time spent up to now is 11.3 secs Computing kpt #: 19 total cpu time spent up to now is 11.8 secs Computing kpt #: 20 total cpu time spent up to now is 12.3 secs Computing kpt #: 21 total cpu time spent up to now is 12.8 secs Computing kpt #: 22 total cpu time spent up to now is 13.3 secs Computing kpt #: 23 total cpu time spent up to now is 13.8 secs Computing kpt #: 24 total cpu time spent up to now is 14.4 secs Computing kpt #: 25 total cpu time spent up to now is 14.9 secs Computing kpt #: 26 total cpu time spent up to now is 15.4 secs Computing kpt #: 27 total cpu time spent up to now is 15.9 secs Computing kpt #: 28 total cpu time spent up to now is 16.4 secs Computing kpt #: 29 total cpu time spent up to now is 16.9 secs Computing kpt #: 30 total cpu time spent up to now is 17.4 secs Computing kpt #: 31 total cpu time spent up to now is 17.9 secs Computing kpt #: 32 total cpu time spent up to now is 18.4 secs Computing kpt #: 33 total cpu time spent up to now is 19.0 secs Computing kpt #: 34 total cpu time spent up to now is 19.5 secs Computing kpt #: 35 total cpu time spent up to now is 20.0 secs Computing kpt #: 36 total cpu time spent up to now is 20.6 secs Computing kpt #: 37 total cpu time spent up to now is 21.2 secs Computing kpt #: 38 total cpu time spent up to now is 21.7 secs Computing kpt #: 39 total cpu time spent up to now is 22.3 secs Computing kpt #: 40 total cpu time spent up to now is 22.9 secs Computing kpt #: 41 total cpu time spent up to now is 23.5 secs Computing kpt #: 42 total cpu time spent up to now is 24.0 secs Computing kpt #: 43 total cpu time spent up to now is 24.6 secs Computing kpt #: 44 total cpu time spent up to now is 25.1 secs Computing kpt #: 45 total cpu time spent up to now is 25.7 secs Computing kpt #: 46 total cpu time spent up to now is 26.2 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.3 secs Computing kpt #: 49 total cpu time spent up to now is 27.8 secs Computing kpt #: 50 total cpu time spent up to now is 28.3 secs Computing kpt #: 51 total cpu time spent up to now is 28.8 secs Computing kpt #: 52 total cpu time spent up to now is 29.3 secs Computing kpt #: 53 total cpu time spent up to now is 29.8 secs Computing kpt #: 54 total cpu time spent up to now is 30.3 secs Computing kpt #: 55 total cpu time spent up to now is 30.8 secs Computing kpt #: 56 total cpu time spent up to now is 31.3 secs Computing kpt #: 57 total cpu time spent up to now is 31.8 secs Computing kpt #: 58 total cpu time spent up to now is 32.3 secs Computing kpt #: 59 total cpu time spent up to now is 32.8 secs Computing kpt #: 60 total cpu time spent up to now is 33.3 secs Computing kpt #: 61 total cpu time spent up to now is 33.8 secs Computing kpt #: 62 total cpu time spent up to now is 34.3 secs Computing kpt #: 63 total cpu time spent up to now is 34.7 secs Computing kpt #: 64 total cpu time spent up to now is 35.2 secs Computing kpt #: 65 total cpu time spent up to now is 35.7 secs Computing kpt #: 66 total cpu time spent up to now is 36.2 secs Computing kpt #: 67 total cpu time spent up to now is 36.6 secs Computing kpt #: 68 total cpu time spent up to now is 37.1 secs Computing kpt #: 69 total cpu time spent up to now is 37.6 secs Computing kpt #: 70 total cpu time spent up to now is 38.1 secs Computing kpt #: 71 total cpu time spent up to now is 38.5 secs Computing kpt #: 72 total cpu time spent up to now is 39.0 secs Computing kpt #: 73 total cpu time spent up to now is 39.5 secs Computing kpt #: 74 total cpu time spent up to now is 40.0 secs Computing kpt #: 75 total cpu time spent up to now is 40.7 secs Computing kpt #: 76 total cpu time spent up to now is 41.2 secs Computing kpt #: 77 total cpu time spent up to now is 41.7 secs Computing kpt #: 78 total cpu time spent up to now is 42.2 secs Computing kpt #: 79 total cpu time spent up to now is 42.6 secs Computing kpt #: 80 total cpu time spent up to now is 43.1 secs Computing kpt #: 81 total cpu time spent up to now is 43.6 secs Computing kpt #: 82 total cpu time spent up to now is 44.1 secs Computing kpt #: 83 total cpu time spent up to now is 44.6 secs Computing kpt #: 84 total cpu time spent up to now is 45.1 secs Computing kpt #: 85 total cpu time spent up to now is 45.6 secs Computing kpt #: 86 total cpu time spent up to now is 46.1 secs Computing kpt #: 87 total cpu time spent up to now is 46.6 secs Computing kpt #: 88 total cpu time spent up to now is 47.1 secs Computing kpt #: 89 total cpu time spent up to now is 47.6 secs Computing kpt #: 90 total cpu time spent up to now is 48.1 secs Computing kpt #: 91 total cpu time spent up to now is 48.6 secs Computing kpt #: 92 total cpu time spent up to now is 49.1 secs Computing kpt #: 93 total cpu time spent up to now is 49.6 secs Computing kpt #: 94 total cpu time spent up to now is 50.1 secs Computing kpt #: 95 total cpu time spent up to now is 50.6 secs Computing kpt #: 96 total cpu time spent up to now is 51.0 secs Computing kpt #: 97 total cpu time spent up to now is 51.5 secs Computing kpt #: 98 total cpu time spent up to now is 52.0 secs Computing kpt #: 99 total cpu time spent up to now is 52.5 secs Computing kpt #: 100 total cpu time spent up to now is 53.0 secs Computing kpt #: 101 total cpu time spent up to now is 53.5 secs Computing kpt #: 102 total cpu time spent up to now is 53.9 secs Computing kpt #: 103 total cpu time spent up to now is 54.4 secs Computing kpt #: 104 total cpu time spent up to now is 54.9 secs Computing kpt #: 105 total cpu time spent up to now is 55.3 secs Computing kpt #: 106 total cpu time spent up to now is 55.8 secs Computing kpt #: 107 total cpu time spent up to now is 56.3 secs Computing kpt #: 108 total cpu time spent up to now is 56.8 secs Computing kpt #: 109 total cpu time spent up to now is 57.2 secs Computing kpt #: 110 total cpu time spent up to now is 57.7 secs Computing kpt #: 111 total cpu time spent up to now is 58.2 secs Computing kpt #: 112 total cpu time spent up to now is 58.7 secs Computing kpt #: 113 total cpu time spent up to now is 59.1 secs Computing kpt #: 114 total cpu time spent up to now is 59.6 secs Computing kpt #: 115 total cpu time spent up to now is 60.1 secs Computing kpt #: 116 total cpu time spent up to now is 60.5 secs Computing kpt #: 117 total cpu time spent up to now is 61.0 secs Computing kpt #: 118 total cpu time spent up to now is 61.5 secs Computing kpt #: 119 total cpu time spent up to now is 61.9 secs Computing kpt #: 120 total cpu time spent up to now is 62.4 secs Computing kpt #: 121 total cpu time spent up to now is 62.9 secs Computing kpt #: 122 total cpu time spent up to now is 63.4 secs Computing kpt #: 123 total cpu time spent up to now is 63.9 secs Computing kpt #: 124 total cpu time spent up to now is 64.4 secs Computing kpt #: 125 total cpu time spent up to now is 64.9 secs Computing kpt #: 126 total cpu time spent up to now is 65.4 secs Computing kpt #: 127 total cpu time spent up to now is 65.9 secs Computing kpt #: 128 total cpu time spent up to now is 66.4 secs Computing kpt #: 129 total cpu time spent up to now is 67.0 secs Computing kpt #: 130 total cpu time spent up to now is 67.5 secs Computing kpt #: 131 total cpu time spent up to now is 68.1 secs Computing kpt #: 132 total cpu time spent up to now is 68.7 secs Computing kpt #: 133 total cpu time spent up to now is 69.2 secs Computing kpt #: 134 total cpu time spent up to now is 69.8 secs Computing kpt #: 135 total cpu time spent up to now is 70.4 secs Computing kpt #: 136 total cpu time spent up to now is 70.9 secs Computing kpt #: 137 total cpu time spent up to now is 71.5 secs Computing kpt #: 138 total cpu time spent up to now is 72.2 secs Computing kpt #: 139 total cpu time spent up to now is 72.8 secs Computing kpt #: 140 total cpu time spent up to now is 73.4 secs Computing kpt #: 141 total cpu time spent up to now is 73.9 secs Computing kpt #: 142 total cpu time spent up to now is 74.4 secs Computing kpt #: 143 total cpu time spent up to now is 74.9 secs Computing kpt #: 144 total cpu time spent up to now is 75.3 secs Computing kpt #: 145 total cpu time spent up to now is 75.8 secs Computing kpt #: 146 total cpu time spent up to now is 76.3 secs Computing kpt #: 147 total cpu time spent up to now is 76.9 secs Computing kpt #: 148 total cpu time spent up to now is 77.5 secs Computing kpt #: 149 total cpu time spent up to now is 78.0 secs Computing kpt #: 150 total cpu time spent up to now is 78.6 secs Computing kpt #: 151 total cpu time spent up to now is 79.2 secs Computing kpt #: 152 total cpu time spent up to now is 79.8 secs Computing kpt #: 153 total cpu time spent up to now is 80.4 secs Computing kpt #: 154 total cpu time spent up to now is 81.0 secs Computing kpt #: 155 total cpu time spent up to now is 81.6 secs Computing kpt #: 156 total cpu time spent up to now is 82.2 secs Computing kpt #: 157 total cpu time spent up to now is 82.7 secs Computing kpt #: 158 total cpu time spent up to now is 83.2 secs Computing kpt #: 159 total cpu time spent up to now is 83.7 secs Computing kpt #: 160 total cpu time spent up to now is 84.2 secs Computing kpt #: 161 total cpu time spent up to now is 84.8 secs Computing kpt #: 162 total cpu time spent up to now is 85.3 secs Computing kpt #: 163 total cpu time spent up to now is 85.8 secs Computing kpt #: 164 total cpu time spent up to now is 86.3 secs Computing kpt #: 165 total cpu time spent up to now is 86.9 secs Computing kpt #: 166 total cpu time spent up to now is 87.4 secs Computing kpt #: 167 total cpu time spent up to now is 87.9 secs Computing kpt #: 168 total cpu time spent up to now is 88.4 secs Computing kpt #: 169 total cpu time spent up to now is 88.9 secs Computing kpt #: 170 total cpu time spent up to now is 89.4 secs Computing kpt #: 171 total cpu time spent up to now is 89.9 secs Computing kpt #: 172 total cpu time spent up to now is 90.4 secs Computing kpt #: 173 total cpu time spent up to now is 90.9 secs Computing kpt #: 174 total cpu time spent up to now is 91.4 secs Computing kpt #: 175 total cpu time spent up to now is 92.0 secs Computing kpt #: 176 total cpu time spent up to now is 92.5 secs Computing kpt #: 177 total cpu time spent up to now is 93.1 secs Computing kpt #: 178 total cpu time spent up to now is 93.7 secs Computing kpt #: 179 total cpu time spent up to now is 94.3 secs Computing kpt #: 180 total cpu time spent up to now is 94.9 secs Computing kpt #: 181 total cpu time spent up to now is 95.5 secs Computing kpt #: 182 total cpu time spent up to now is 96.0 secs Computing kpt #: 183 total cpu time spent up to now is 96.4 secs Computing kpt #: 184 total cpu time spent up to now is 96.9 secs Computing kpt #: 185 total cpu time spent up to now is 97.4 secs Computing kpt #: 186 total cpu time spent up to now is 97.9 secs Computing kpt #: 187 total cpu time spent up to now is 98.4 secs Computing kpt #: 188 total cpu time spent up to now is 98.8 secs Computing kpt #: 189 total cpu time spent up to now is 99.3 secs Computing kpt #: 190 total cpu time spent up to now is 99.8 secs Computing kpt #: 191 total cpu time spent up to now is 100.3 secs Computing kpt #: 192 total cpu time spent up to now is 100.8 secs Computing kpt #: 193 total cpu time spent up to now is 101.3 secs Computing kpt #: 194 total cpu time spent up to now is 101.8 secs Computing kpt #: 195 total cpu time spent up to now is 102.3 secs Computing kpt #: 196 total cpu time spent up to now is 102.8 secs Computing kpt #: 197 total cpu time spent up to now is 103.3 secs Computing kpt #: 198 total cpu time spent up to now is 103.8 secs Computing kpt #: 199 total cpu time spent up to now is 104.3 secs Computing kpt #: 200 total cpu time spent up to now is 104.8 secs Computing kpt #: 201 total cpu time spent up to now is 105.3 secs Computing kpt #: 202 total cpu time spent up to now is 105.8 secs Computing kpt #: 203 total cpu time spent up to now is 106.3 secs Computing kpt #: 204 total cpu time spent up to now is 106.9 secs Computing kpt #: 205 total cpu time spent up to now is 107.4 secs Computing kpt #: 206 total cpu time spent up to now is 107.9 secs Computing kpt #: 207 total cpu time spent up to now is 108.4 secs Computing kpt #: 208 total cpu time spent up to now is 108.9 secs Computing kpt #: 209 total cpu time spent up to now is 109.5 secs Computing kpt #: 210 total cpu time spent up to now is 110.0 secs Computing kpt #: 211 total cpu time spent up to now is 110.6 secs Computing kpt #: 212 total cpu time spent up to now is 111.2 secs Computing kpt #: 213 total cpu time spent up to now is 111.7 secs Computing kpt #: 214 total cpu time spent up to now is 112.3 secs Computing kpt #: 215 total cpu time spent up to now is 112.9 secs Computing kpt #: 216 total cpu time spent up to now is 113.4 secs Computing kpt #: 217 total cpu time spent up to now is 114.0 secs Computing kpt #: 218 total cpu time spent up to now is 114.5 secs Computing kpt #: 219 total cpu time spent up to now is 115.1 secs Computing kpt #: 220 total cpu time spent up to now is 115.6 secs Computing kpt #: 221 total cpu time spent up to now is 116.1 secs Computing kpt #: 222 total cpu time spent up to now is 116.7 secs Computing kpt #: 223 total cpu time spent up to now is 117.2 secs Computing kpt #: 224 total cpu time spent up to now is 117.7 secs Computing kpt #: 225 total cpu time spent up to now is 118.2 secs Computing kpt #: 226 total cpu time spent up to now is 118.7 secs Computing kpt #: 227 total cpu time spent up to now is 119.2 secs Computing kpt #: 228 total cpu time spent up to now is 119.7 secs Computing kpt #: 229 total cpu time spent up to now is 120.2 secs Computing kpt #: 230 total cpu time spent up to now is 120.7 secs Computing kpt #: 231 total cpu time spent up to now is 121.2 secs Computing kpt #: 232 total cpu time spent up to now is 121.7 secs Computing kpt #: 233 total cpu time spent up to now is 122.2 secs Computing kpt #: 234 total cpu time spent up to now is 122.7 secs Computing kpt #: 235 total cpu time spent up to now is 123.2 secs Computing kpt #: 236 total cpu time spent up to now is 123.7 secs Computing kpt #: 237 total cpu time spent up to now is 124.2 secs Computing kpt #: 238 total cpu time spent up to now is 124.7 secs Computing kpt #: 239 total cpu time spent up to now is 125.2 secs Computing kpt #: 240 total cpu time spent up to now is 125.7 secs Computing kpt #: 241 total cpu time spent up to now is 126.2 secs Computing kpt #: 242 total cpu time spent up to now is 126.6 secs Computing kpt #: 243 total cpu time spent up to now is 127.1 secs Computing kpt #: 244 total cpu time spent up to now is 127.6 secs Computing kpt #: 245 total cpu time spent up to now is 128.1 secs Computing kpt #: 246 total cpu time spent up to now is 128.5 secs Computing kpt #: 247 total cpu time spent up to now is 129.0 secs Computing kpt #: 248 total cpu time spent up to now is 129.5 secs Computing kpt #: 249 total cpu time spent up to now is 130.0 secs Computing kpt #: 250 total cpu time spent up to now is 130.5 secs Computing kpt #: 251 total cpu time spent up to now is 131.0 secs Computing kpt #: 252 total cpu time spent up to now is 131.5 secs Computing kpt #: 253 total cpu time spent up to now is 132.0 secs Computing kpt #: 254 total cpu time spent up to now is 132.5 secs Computing kpt #: 255 total cpu time spent up to now is 133.0 secs Computing kpt #: 256 total cpu time spent up to now is 133.5 secs Computing kpt #: 257 total cpu time spent up to now is 134.0 secs Computing kpt #: 258 total cpu time spent up to now is 134.5 secs Computing kpt #: 259 total cpu time spent up to now is 135.0 secs Computing kpt #: 260 total cpu time spent up to now is 135.5 secs Computing kpt #: 261 total cpu time spent up to now is 136.0 secs Computing kpt #: 262 total cpu time spent up to now is 136.5 secs Computing kpt #: 263 total cpu time spent up to now is 137.0 secs Computing kpt #: 264 total cpu time spent up to now is 137.5 secs Computing kpt #: 265 total cpu time spent up to now is 138.0 secs Computing kpt #: 266 total cpu time spent up to now is 138.5 secs Computing kpt #: 267 total cpu time spent up to now is 139.0 secs Computing kpt #: 268 total cpu time spent up to now is 139.6 secs Computing kpt #: 269 total cpu time spent up to now is 140.2 secs Computing kpt #: 270 total cpu time spent up to now is 140.7 secs Computing kpt #: 271 total cpu time spent up to now is 141.3 secs Computing kpt #: 272 total cpu time spent up to now is 141.8 secs Computing kpt #: 273 total cpu time spent up to now is 142.3 secs Computing kpt #: 274 total cpu time spent up to now is 142.8 secs Computing kpt #: 275 total cpu time spent up to now is 143.3 secs Computing kpt #: 276 total cpu time spent up to now is 143.8 secs Computing kpt #: 277 total cpu time spent up to now is 144.2 secs Computing kpt #: 278 total cpu time spent up to now is 144.7 secs Computing kpt #: 279 total cpu time spent up to now is 145.2 secs Computing kpt #: 280 total cpu time spent up to now is 145.7 secs Computing kpt #: 281 total cpu time spent up to now is 146.2 secs Computing kpt #: 282 total cpu time spent up to now is 146.7 secs Computing kpt #: 283 total cpu time spent up to now is 147.2 secs Computing kpt #: 284 total cpu time spent up to now is 147.7 secs Computing kpt #: 285 total cpu time spent up to now is 148.2 secs Computing kpt #: 286 total cpu time spent up to now is 148.7 secs Computing kpt #: 287 total cpu time spent up to now is 149.2 secs Computing kpt #: 288 total cpu time spent up to now is 149.7 secs Computing kpt #: 289 total cpu time spent up to now is 150.2 secs Computing kpt #: 290 total cpu time spent up to now is 150.7 secs Computing kpt #: 291 total cpu time spent up to now is 151.3 secs Computing kpt #: 292 total cpu time spent up to now is 151.8 secs Computing kpt #: 293 total cpu time spent up to now is 152.3 secs Computing kpt #: 294 total cpu time spent up to now is 152.8 secs Computing kpt #: 295 total cpu time spent up to now is 153.3 secs Computing kpt #: 296 total cpu time spent up to now is 153.8 secs Computing kpt #: 297 total cpu time spent up to now is 154.3 secs Computing kpt #: 298 total cpu time spent up to now is 154.9 secs Computing kpt #: 299 total cpu time spent up to now is 155.4 secs Computing kpt #: 300 total cpu time spent up to now is 155.9 secs Computing kpt #: 301 total cpu time spent up to now is 156.4 secs Computing kpt #: 302 total cpu time spent up to now is 156.9 secs Computing kpt #: 303 total cpu time spent up to now is 157.5 secs Computing kpt #: 304 total cpu time spent up to now is 158.0 secs Computing kpt #: 305 total cpu time spent up to now is 158.5 secs Computing kpt #: 306 total cpu time spent up to now is 159.0 secs Computing kpt #: 307 total cpu time spent up to now is 159.6 secs Computing kpt #: 308 total cpu time spent up to now is 160.1 secs Computing kpt #: 309 total cpu time spent up to now is 160.7 secs Computing kpt #: 310 total cpu time spent up to now is 161.2 secs Computing kpt #: 311 total cpu time spent up to now is 161.8 secs Computing kpt #: 312 total cpu time spent up to now is 162.4 secs Computing kpt #: 313 total cpu time spent up to now is 162.9 secs ethr = 2.27E-08, avg # of iterations = 19.3 total cpu time spent up to now is 162.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3658 -29.3658 -29.3658 -29.3658 -21.3669 -21.3669 -6.4694 -6.4694 -5.6467 -5.6467 -5.6467 -5.6467 -4.1363 -4.1363 -2.9995 -2.9995 -2.9995 -2.9995 7.9972 7.9972 8.2309 8.2309 8.2309 8.2309 9.9702 9.9702 9.9702 9.9702 9.9863 9.9863 10.3135 10.3135 10.3135 10.3135 10.4822 10.4822 10.5114 10.5114 10.5713 10.5713 10.5713 10.5713 13.2665 13.2665 13.2665 13.2665 16.8017 16.8017 k = 0.0000 0.0122-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3658 -29.3658 -29.3658 -29.3658 -21.3668 -21.3668 -6.4693 -6.4693 -5.6467 -5.6467 -5.6466 -5.6466 -4.1359 -4.1359 -2.9994 -2.9994 -2.9990 -2.9990 7.9956 7.9956 8.2278 8.2278 8.2305 8.2305 9.9538 9.9538 9.9628 9.9628 9.9792 9.9792 10.3165 10.3165 10.3179 10.3179 10.4865 10.4865 10.4976 10.4976 10.5716 10.5716 10.5963 10.5963 13.2665 13.2665 13.2771 13.2771 16.8041 16.8042 k = 0.0000 0.0244-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3659 -29.3659 -29.3658 -29.3658 -21.3667 -21.3667 -6.4689 -6.4689 -5.6465 -5.6465 -5.6463 -5.6463 -4.1347 -4.1347 -2.9992 -2.9992 -2.9975 -2.9975 7.9905 7.9905 8.2187 8.2187 8.2295 8.2295 9.9103 9.9103 9.9300 9.9300 9.9718 9.9718 10.3238 10.3238 10.3262 10.3262 10.4779 10.4779 10.4851 10.4851 10.5864 10.5864 10.6480 10.6480 13.2666 13.2666 13.3086 13.3086 16.8113 16.8114 k = 0.0000 0.0366-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3661 -29.3661 -29.3658 -29.3658 -21.3666 -21.3666 -6.4684 -6.4684 -5.6463 -5.6463 -5.6457 -5.6457 -4.1328 -4.1328 -2.9989 -2.9989 -2.9950 -2.9950 7.9812 7.9812 8.2043 8.2043 8.2277 8.2277 9.8505 9.8505 9.8782 9.8782 9.9646 9.9646 10.3321 10.3321 10.3324 10.3324 10.4589 10.4589 10.4620 10.4620 10.6318 10.6318 10.7131 10.7131 13.2667 13.2667 13.3595 13.3595 16.8234 16.8234 k = 0.0000 0.0488-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5408 -32.5408 -29.3663 -29.3663 -29.3658 -29.3658 -21.3663 -21.3663 -6.4678 -6.4678 -5.6459 -5.6459 -5.6448 -5.6448 -4.1302 -4.1302 -2.9984 -2.9984 -2.9915 -2.9915 7.9668 7.9668 8.1858 8.1858 8.2252 8.2252 9.7818 9.7818 9.8160 9.8160 9.9556 9.9556 10.3346 10.3346 10.3396 10.3396 10.4135 10.4135 10.4495 10.4495 10.6982 10.6982 10.7872 10.7872 13.2669 13.2669 13.4277 13.4277 16.8401 16.8401 k = 0.0000 0.0610-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5408 -32.5408 -29.3665 -29.3665 -29.3658 -29.3658 -21.3660 -21.3660 -6.4671 -6.4671 -5.6455 -5.6455 -5.6435 -5.6435 -4.1268 -4.1268 -2.9978 -2.9978 -2.9871 -2.9871 7.9456 7.9456 8.1648 8.1648 8.2221 8.2221 9.7087 9.7087 9.7479 9.7479 9.9442 9.9442 10.3295 10.3295 10.3459 10.3459 10.3602 10.3602 10.4396 10.4396 10.7760 10.7760 10.8678 10.8678 13.2672 13.2672 13.5107 13.5107 16.8616 16.8616 k = 0.0000 0.0732-0.0000 ( 4937 PWs) bands (ev): -59.9587 -59.9587 -32.5409 -32.5409 -29.3668 -29.3668 -29.3657 -29.3657 -21.3657 -21.3657 -6.4664 -6.4664 -5.6449 -5.6449 -5.6416 -5.6416 -4.1229 -4.1229 -2.9971 -2.9971 -2.9818 -2.9818 7.9157 7.9157 8.1433 8.1433 8.2182 8.2182 9.6336 9.6336 9.6766 9.6766 9.9307 9.9307 10.2814 10.2814 10.3392 10.3392 10.3507 10.3507 10.4314 10.4314 10.8602 10.8602 10.9532 10.9532 13.2675 13.2675 13.6061 13.6061 16.8877 16.8877 k = 0.0000 0.0854-0.0000 ( 4937 PWs) bands (ev): -59.9587 -59.9587 -32.5410 -32.5410 -29.3671 -29.3671 -29.3657 -29.3657 -21.3653 -21.3653 -6.4658 -6.4658 -5.6443 -5.6443 -5.6391 -5.6391 -4.1183 -4.1183 -2.9962 -2.9962 -2.9755 -2.9755 7.8756 7.8756 8.1233 8.1233 8.2137 8.2137 9.5577 9.5577 9.6037 9.6037 9.9150 9.9150 10.2100 10.2100 10.3345 10.3345 10.3544 10.3544 10.4244 10.4244 10.9485 10.9485 11.0418 11.0418 13.2678 13.2678 13.7115 13.7115 16.9182 16.9182 k = 0.0000 0.0976-0.0000 ( 4933 PWs) bands (ev): -59.9587 -59.9587 -32.5411 -32.5411 -29.3675 -29.3675 -29.3657 -29.3657 -21.3648 -21.3648 -6.4654 -6.4654 -5.6436 -5.6436 -5.6358 -5.6358 -4.1132 -4.1132 -2.9952 -2.9952 -2.9684 -2.9684 7.8246 7.8246 8.1056 8.1056 8.2086 8.2086 9.4821 9.4821 9.5304 9.5304 9.8973 9.8973 10.1337 10.1337 10.3300 10.3300 10.3570 10.3570 10.4185 10.4185 11.0395 11.0395 11.1329 11.1329 13.2682 13.2682 13.8246 13.8246 16.9532 16.9532 k = 0.0000 0.1098-0.0000 ( 4937 PWs) bands (ev): -59.9587 -59.9587 -32.5412 -32.5412 -29.3680 -29.3680 -29.3656 -29.3656 -21.3642 -21.3642 -6.4653 -6.4653 -5.6428 -5.6428 -5.6316 -5.6316 -4.1076 -4.1076 -2.9942 -2.9942 -2.9605 -2.9605 7.7631 7.7631 8.0904 8.0904 8.2028 8.2028 9.4071 9.4071 9.4574 9.4574 9.8777 9.8777 10.0553 10.0553 10.3250 10.3250 10.3583 10.3583 10.4135 10.4135 11.1323 11.1323 11.2257 11.2257 13.2687 13.2687 13.9436 13.9436 16.9924 16.9924 k = 0.0000 0.1220-0.0000 ( 4929 PWs) bands (ev): -59.9587 -59.9587 -32.5413 -32.5413 -29.3684 -29.3684 -29.3656 -29.3656 -21.3636 -21.3636 -6.4657 -6.4657 -5.6419 -5.6419 -5.6263 -5.6263 -4.1017 -4.1017 -2.9930 -2.9930 -2.9518 -2.9518 7.6919 7.6919 8.0773 8.0773 8.1964 8.1964 9.3331 9.3331 9.3851 9.3851 9.8564 9.8564 9.9763 9.9763 10.3194 10.3194 10.3583 10.3583 10.4096 10.4096 11.2262 11.2262 11.3197 11.3197 13.2692 13.2692 14.0667 14.0667 17.0357 17.0357 k = 0.0000 0.1341-0.0000 ( 4929 PWs) bands (ev): -59.9587 -59.9587 -32.5415 -32.5415 -29.3689 -29.3689 -29.3655 -29.3655 -21.3630 -21.3630 -6.4666 -6.4666 -5.6410 -5.6410 -5.6198 -5.6198 -4.0954 -4.0954 -2.9917 -2.9917 -2.9424 -2.9424 7.6121 7.6121 8.0656 8.0656 8.1895 8.1895 9.2605 9.2605 9.3139 9.3139 9.8336 9.8336 9.8980 9.8980 10.3133 10.3133 10.3569 10.3569 10.4070 10.4070 11.3208 11.3208 11.4144 11.4144 13.2697 13.2697 14.1926 14.1926 17.0830 17.0830 k = 0.0000 0.1463-0.0000 ( 4913 PWs) bands (ev): -59.9587 -59.9587 -32.5416 -32.5416 -29.3695 -29.3695 -29.3655 -29.3655 -21.3623 -21.3623 -6.4681 -6.4681 -5.6400 -5.6400 -5.6119 -5.6119 -4.0888 -4.0888 -2.9903 -2.9903 -2.9323 -2.9323 7.5251 7.5251 8.0549 8.0549 8.1820 8.1820 9.1895 9.1895 9.2442 9.2442 9.8094 9.8094 9.8210 9.8210 10.3068 10.3068 10.3540 10.3540 10.4058 10.4058 11.4158 11.4158 11.5096 11.5096 13.2703 13.2703 14.3200 14.3200 17.1340 17.1340 k = 0.0000 0.1585-0.0000 ( 4905 PWs) bands (ev): -59.9586 -59.9586 -32.5418 -32.5418 -29.3700 -29.3700 -29.3654 -29.3654 -21.3616 -21.3616 -6.4702 -6.4702 -5.6389 -5.6389 -5.6027 -5.6027 -4.0820 -4.0820 -2.9889 -2.9889 -2.9216 -2.9216 7.4318 7.4318 8.0448 8.0448 8.1739 8.1739 9.1201 9.1201 9.1760 9.1760 9.7461 9.7461 9.7841 9.7841 10.2998 10.2998 10.3497 10.3497 10.4057 10.4057 11.5108 11.5108 11.6049 11.6049 13.2709 13.2709 14.4479 14.4479 17.1886 17.1886 k = 0.0000 0.1707-0.0000 ( 4913 PWs) bands (ev): -59.9586 -59.9586 -32.5419 -32.5419 -29.3707 -29.3707 -29.3654 -29.3654 -21.3608 -21.3608 -6.4732 -6.4732 -5.6377 -5.6377 -5.5920 -5.5920 -4.0750 -4.0750 -2.9873 -2.9873 -2.9103 -2.9103 7.3332 7.3332 8.0351 8.0351 8.1654 8.1654 9.0526 9.0526 9.1096 9.1096 9.6734 9.6734 9.7577 9.7577 10.2926 10.2926 10.3443 10.3443 10.4067 10.4067 11.6055 11.6055 11.6999 11.6999 13.2716 13.2716 14.5753 14.5753 17.2465 17.2465 k = 0.0000 0.1829-0.0000 ( 4913 PWs) bands (ev): -59.9586 -59.9586 -32.5421 -32.5421 -29.3713 -29.3713 -29.3653 -29.3653 -21.3600 -21.3600 -6.4769 -6.4769 -5.6366 -5.6366 -5.5798 -5.5798 -4.0679 -4.0679 -2.9857 -2.9857 -2.8986 -2.8986 7.2305 7.2305 8.0256 8.0256 8.1564 8.1564 8.9869 8.9869 9.0451 9.0451 9.6033 9.6033 9.7306 9.7306 10.2850 10.2850 10.3380 10.3380 10.4084 10.4084 11.6998 11.6998 11.7946 11.7946 13.2723 13.2723 14.7015 14.7015 17.3075 17.3075 k = 0.0000 0.1951-0.0000 ( 4921 PWs) bands (ev): -59.9586 -59.9586 -32.5423 -32.5423 -29.3720 -29.3720 -29.3653 -29.3653 -21.3592 -21.3592 -6.4813 -6.4813 -5.6353 -5.6353 -5.5661 -5.5661 -4.0609 -4.0609 -2.9841 -2.9841 -2.8865 -2.8865 7.1244 7.1244 8.0163 8.0163 8.1470 8.1470 8.9233 8.9233 8.9826 8.9826 9.5359 9.5359 9.7028 9.7028 10.2773 10.2773 10.3312 10.3312 10.4106 10.4106 11.7933 11.7933 11.8885 11.8885 13.2731 13.2731 14.8258 14.8258 17.3714 17.3714 k = 0.0000 0.2073-0.0000 ( 4929 PWs) bands (ev): -59.9586 -59.9586 -32.5426 -32.5426 -29.3727 -29.3727 -29.3652 -29.3652 -21.3584 -21.3584 -6.4866 -6.4866 -5.6341 -5.6341 -5.5509 -5.5509 -4.0538 -4.0538 -2.9824 -2.9824 -2.8741 -2.8741 7.0159 7.0159 8.0070 8.0070 8.1372 8.1372 8.8617 8.8617 8.9223 8.9223 9.4712 9.4712 9.6746 9.6746 10.2695 10.2695 10.3241 10.3241 10.4132 10.4132 11.8859 11.8859 11.9814 11.9814 13.2739 13.2739 14.9477 14.9477 17.4378 17.4378 k = 0.0000 0.2195-0.0000 ( 4929 PWs) bands (ev): -59.9586 -59.9586 -32.5428 -32.5428 -29.3735 -29.3735 -29.3652 -29.3652 -21.3575 -21.3575 -6.4926 -6.4926 -5.6328 -5.6328 -5.5342 -5.5342 -4.0468 -4.0468 -2.9806 -2.9806 -2.8614 -2.8614 6.9058 6.9058 7.9978 7.9978 8.1271 8.1271 8.8024 8.8024 8.8642 8.8642 9.4092 9.4092 9.6461 9.6461 10.2615 10.2615 10.3166 10.3166 10.4161 10.4161 11.9772 11.9772 12.0731 12.0731 13.2747 13.2747 15.0667 15.0667 17.5065 17.5065 k = 0.0000 0.2317-0.0000 ( 4929 PWs) bands (ev): -59.9586 -59.9586 -32.5430 -32.5430 -29.3742 -29.3742 -29.3651 -29.3651 -21.3566 -21.3566 -6.4992 -6.4992 -5.6315 -5.6315 -5.5163 -5.5163 -4.0399 -4.0399 -2.9789 -2.9789 -2.8486 -2.8486 6.7950 6.7950 7.9886 7.9886 8.1166 8.1166 8.7452 8.7452 8.8083 8.8083 9.3499 9.3499 9.6176 9.6176 10.2535 10.2535 10.3091 10.3091 10.4191 10.4191 12.0671 12.0671 12.1634 12.1634 13.2756 13.2756 15.1824 15.1824 17.5770 17.5770 k = 0.0000 0.2439-0.0000 ( 4925 PWs) bands (ev): -59.9585 -59.9585 -32.5432 -32.5432 -29.3749 -29.3749 -29.3651 -29.3651 -21.3557 -21.3557 -6.5065 -6.5065 -5.6302 -5.6302 -5.4971 -5.4971 -4.0331 -4.0331 -2.9771 -2.9771 -2.8356 -2.8356 6.6841 6.6841 7.9794 7.9794 8.1059 8.1059 8.6903 8.6903 8.7549 8.7549 9.2933 9.2933 9.5891 9.5891 10.2456 10.2456 10.3015 10.3015 10.4223 10.4223 12.1554 12.1554 12.2520 12.2520 13.2766 13.2766 15.2944 15.2944 17.6491 17.6491 k = 0.0000 0.2561-0.0000 ( 4925 PWs) bands (ev): -59.9585 -59.9585 -32.5434 -32.5434 -29.3756 -29.3756 -29.3650 -29.3650 -21.3548 -21.3548 -6.5143 -6.5143 -5.6289 -5.6289 -5.4770 -5.4770 -4.0265 -4.0265 -2.9753 -2.9753 -2.8226 -2.8226 6.5740 6.5740 7.9703 7.9703 8.0950 8.0950 8.6377 8.6377 8.7039 8.7039 9.2394 9.2394 9.5609 9.5609 10.2377 10.2377 10.2939 10.2939 10.4256 10.4256 12.2417 12.2417 12.3386 12.3386 13.2777 13.2777 15.4024 15.4024 17.7223 17.7223 k = 0.0000 0.2683-0.0000 ( 4925 PWs) bands (ev): -59.9585 -59.9585 -32.5436 -32.5436 -29.3763 -29.3763 -29.3650 -29.3650 -21.3540 -21.3540 -6.5225 -6.5225 -5.6275 -5.6275 -5.4559 -5.4559 -4.0201 -4.0201 -2.9735 -2.9735 -2.8097 -2.8097 6.4652 6.4652 7.9613 7.9613 8.0839 8.0839 8.5875 8.5875 8.6554 8.6554 9.1880 9.1880 9.5331 9.5331 10.2300 10.2300 10.2864 10.2864 10.4289 10.4289 12.3259 12.3259 12.4229 12.4229 13.2789 13.2789 15.5062 15.5062 17.7963 17.7963 k = 0.0000 0.2805-0.0000 ( 4929 PWs) bands (ev): -59.9585 -59.9585 -32.5438 -32.5438 -29.3770 -29.3770 -29.3649 -29.3649 -21.3531 -21.3531 -6.5311 -6.5311 -5.6262 -5.6262 -5.4341 -5.4341 -4.0140 -4.0140 -2.9717 -2.9717 -2.7970 -2.7970 6.3583 6.3583 7.9523 7.9523 8.0726 8.0726 8.5398 8.5398 8.6094 8.6094 9.1391 9.1391 9.5058 9.5058 10.2224 10.2224 10.2790 10.2790 10.4322 10.4322 12.4077 12.4077 12.5048 12.5048 13.2801 13.2801 15.6056 15.6056 17.8676 17.8676 k = 0.0000 0.2927-0.0000 ( 4945 PWs) bands (ev): -59.9585 -59.9585 -32.5440 -32.5440 -29.3778 -29.3778 -29.3649 -29.3649 -21.3522 -21.3522 -6.5398 -6.5398 -5.6249 -5.6249 -5.4118 -5.4118 -4.0081 -4.0081 -2.9700 -2.9700 -2.7844 -2.7844 6.2540 6.2540 7.9435 7.9435 8.0613 8.0613 8.4944 8.4944 8.5660 8.5660 9.0928 9.0928 9.4793 9.4793 10.2150 10.2150 10.2719 10.2719 10.4355 10.4355 12.4868 12.4868 12.5838 12.5838 13.2816 13.2816 15.7003 15.7003 17.9352 17.9352 k = 0.0000 0.3049-0.0000 ( 4941 PWs) bands (ev): -59.9585 -59.9585 -32.5442 -32.5442 -29.3785 -29.3785 -29.3649 -29.3649 -21.3514 -21.3514 -6.5487 -6.5487 -5.6237 -5.6237 -5.3892 -5.3892 -4.0025 -4.0025 -2.9683 -2.9683 -2.7722 -2.7722 6.1528 6.1528 7.9348 7.9348 8.0500 8.0500 8.4516 8.4516 8.5253 8.5253 9.0491 9.0491 9.4536 9.4536 10.2078 10.2078 10.2649 10.2649 10.4388 10.4388 12.5631 12.5631 12.6598 12.6598 13.2832 13.2832 15.7902 15.7902 18.0017 18.0017 k = 0.0000 0.3171-0.0000 ( 4917 PWs) bands (ev): -59.9585 -59.9585 -32.5443 -32.5443 -29.3791 -29.3791 -29.3648 -29.3648 -21.3505 -21.3505 -6.5576 -6.5576 -5.6224 -5.6224 -5.3666 -5.3666 -3.9971 -3.9971 -2.9666 -2.9666 -2.7603 -2.7603 6.0552 6.0552 7.9264 7.9264 8.0387 8.0387 8.4112 8.4112 8.4872 8.4872 9.0078 9.0078 9.4288 9.4288 10.2010 10.2010 10.2583 10.2583 10.4420 10.4420 12.6363 12.6363 12.7324 12.7324 13.2851 13.2851 15.8752 15.8752 18.0666 18.0666 k = 0.0000 0.3293-0.0000 ( 4921 PWs) bands (ev): -59.9585 -59.9585 -32.5445 -32.5445 -29.3797 -29.3797 -29.3647 -29.3647 -21.3497 -21.3497 -6.5664 -6.5664 -5.6212 -5.6212 -5.3440 -5.3440 -3.9921 -3.9921 -2.9650 -2.9650 -2.7488 -2.7488 5.9617 5.9617 7.9182 7.9182 8.0276 8.0276 8.3734 8.3734 8.4517 8.4517 8.9690 8.9690 9.4051 9.4051 10.1944 10.1944 10.2519 10.2519 10.4451 10.4451 12.7062 12.7062 12.8013 12.8013 13.2873 13.2873 15.9552 15.9552 18.1295 18.1295 k = 0.0000 0.3415-0.0000 ( 4925 PWs) bands (ev): -59.9584 -59.9584 -32.5447 -32.5447 -29.3804 -29.3804 -29.3647 -29.3647 -21.3490 -21.3490 -6.5750 -6.5750 -5.6201 -5.6201 -5.3219 -5.3219 -3.9874 -3.9874 -2.9634 -2.9634 -2.7378 -2.7378 5.8727 5.8727 7.9104 7.9104 8.0166 8.0166 8.3382 8.3382 8.4190 8.4190 8.9328 8.9328 9.3825 9.3825 10.1882 10.1882 10.2458 10.2458 10.4480 10.4480 12.7725 12.7725 12.8662 12.8662 13.2900 13.2900 16.0300 16.0300 18.1901 18.1901 k = 0.0000 0.3537-0.0000 ( 4929 PWs) bands (ev): -59.9584 -59.9584 -32.5449 -32.5449 -29.3810 -29.3810 -29.3646 -29.3646 -21.3482 -21.3482 -6.5834 -6.5834 -5.6190 -5.6190 -5.3003 -5.3003 -3.9830 -3.9830 -2.9620 -2.9620 -2.7274 -2.7274 5.7886 5.7886 7.9028 7.9028 8.0058 8.0058 8.3055 8.3055 8.3889 8.3889 8.8991 8.8991 9.3613 9.3613 10.1823 10.1823 10.2402 10.2402 10.4509 10.4509 12.8350 12.8350 12.9265 12.9265 13.2932 13.2932 16.0996 16.0996 18.2480 18.2480 k = 0.0000 0.3659-0.0000 ( 4933 PWs) bands (ev): -59.9584 -59.9584 -32.5451 -32.5451 -29.3815 -29.3815 -29.3646 -29.3646 -21.3476 -21.3476 -6.5914 -6.5914 -5.6180 -5.6180 -5.2795 -5.2795 -3.9790 -3.9790 -2.9606 -2.9606 -2.7176 -2.7176 5.7098 5.7098 7.8957 7.8957 7.9954 7.9954 8.2754 8.2754 8.3615 8.3615 8.8680 8.8680 9.3414 9.3414 10.1768 10.1768 10.2349 10.2349 10.4536 10.4536 12.8935 12.8935 12.9820 12.9820 13.2973 13.2973 16.1639 16.1639 18.3028 18.3028 k = 0.0000 0.3780-0.0000 ( 4937 PWs) bands (ev): -59.9584 -59.9584 -32.5452 -32.5452 -29.3821 -29.3821 -29.3646 -29.3646 -21.3469 -21.3469 -6.5990 -6.5990 -5.6170 -5.6170 -5.2597 -5.2597 -3.9753 -3.9753 -2.9593 -2.9593 -2.7085 -2.7085 5.6366 5.6366 7.8889 7.8889 7.9854 7.9854 8.2480 8.2480 8.3367 8.3367 8.8395 8.8395 9.3229 9.3229 10.1718 10.1718 10.2300 10.2300 10.4561 10.4561 12.9477 12.9477 13.0321 13.0321 13.3024 13.3024 16.2228 16.2228 18.3542 18.3542 k = 0.0000 0.3902-0.0000 ( 4929 PWs) bands (ev): -59.9584 -59.9584 -32.5453 -32.5453 -29.3825 -29.3825 -29.3645 -29.3645 -21.3463 -21.3463 -6.6060 -6.6060 -5.6161 -5.6161 -5.2411 -5.2411 -3.9720 -3.9720 -2.9581 -2.9581 -2.7001 -2.7001 5.5694 5.5694 7.8827 7.8827 7.9760 7.9760 8.2231 8.2231 8.3145 8.3145 8.8136 8.8136 9.3060 9.3060 10.1672 10.1672 10.2255 10.2255 10.4584 10.4584 12.9974 12.9974 13.0763 13.0763 13.3089 13.3089 16.2763 16.2763 18.4019 18.4019 k = 0.0000 0.4024-0.0000 ( 4937 PWs) bands (ev): -59.9584 -59.9584 -32.5455 -32.5455 -29.3830 -29.3830 -29.3645 -29.3645 -21.3458 -21.3458 -6.6125 -6.6125 -5.6153 -5.6153 -5.2239 -5.2239 -3.9690 -3.9690 -2.9570 -2.9570 -2.6925 -2.6925 5.5085 5.5085 7.8769 7.8769 7.9671 7.9671 8.2009 8.2009 8.2948 8.2948 8.7903 8.7903 9.2907 9.2907 10.1630 10.1630 10.2214 10.2214 10.4606 10.4606 13.0425 13.0425 13.1140 13.1140 13.3172 13.3172 16.3243 16.3243 18.4455 18.4455 k = 0.0000 0.4146-0.0000 ( 4937 PWs) bands (ev): -59.9584 -59.9584 -32.5456 -32.5456 -29.3834 -29.3834 -29.3645 -29.3645 -21.3453 -21.3453 -6.6184 -6.6184 -5.6146 -5.6146 -5.2082 -5.2082 -3.9663 -3.9663 -2.9560 -2.9560 -2.6856 -2.6856 5.4541 5.4541 7.8717 7.8717 7.9590 7.9590 8.1813 8.1813 8.2777 8.2777 8.7697 8.7697 9.2770 9.2770 10.1592 10.1592 10.2178 10.2178 10.4625 10.4625 13.0827 13.0827 13.1448 13.1448 13.3275 13.3275 16.3667 16.3667 18.4847 18.4847 k = 0.0000 0.4268-0.0000 ( 4937 PWs) bands (ev): -59.9584 -59.9584 -32.5457 -32.5457 -29.3837 -29.3837 -29.3645 -29.3645 -21.3449 -21.3449 -6.6235 -6.6235 -5.6140 -5.6140 -5.1943 -5.1943 -3.9640 -3.9640 -2.9551 -2.9551 -2.6796 -2.6796 5.4064 5.4064 7.8671 7.8671 7.9518 7.9518 8.1644 8.1644 8.2630 8.2630 8.7518 8.7518 9.2651 9.2651 10.1560 10.1560 10.2147 10.2147 10.4642 10.4642 13.1180 13.1180 13.1687 13.1687 13.3394 13.3394 16.4036 16.4036 18.5192 18.5192 k = 0.0000 0.4390-0.0000 ( 4937 PWs) bands (ev): -59.9584 -59.9584 -32.5458 -32.5458 -29.3840 -29.3840 -29.3644 -29.3644 -21.3445 -21.3445 -6.6280 -6.6280 -5.6134 -5.6134 -5.1823 -5.1823 -3.9621 -3.9621 -2.9544 -2.9544 -2.6745 -2.6745 5.3658 5.3658 7.8632 7.8632 7.9454 7.9454 8.1500 8.1500 8.2506 8.2506 8.7366 8.7366 9.2549 9.2549 10.1532 10.1532 10.2120 10.2120 10.4656 10.4656 13.1481 13.1481 13.1865 13.1865 13.3524 13.3524 16.4349 16.4349 18.5489 18.5489 k = 0.0000 0.4512-0.0000 ( 4938 PWs) bands (ev): -59.9584 -59.9584 -32.5458 -32.5458 -29.3843 -29.3843 -29.3644 -29.3644 -21.3442 -21.3442 -6.6317 -6.6317 -5.6130 -5.6130 -5.1722 -5.1722 -3.9605 -3.9605 -2.9538 -2.9538 -2.6703 -2.6703 5.3322 5.3322 7.8599 7.8599 7.9401 7.9401 8.1383 8.1383 8.2406 8.2406 8.7241 8.7241 9.2465 9.2465 10.1509 10.1509 10.2098 10.2098 10.4668 10.4668 13.1729 13.1729 13.1990 13.1990 13.3651 13.3651 16.4605 16.4605 18.5735 18.5735 k = 0.0000 0.4634-0.0000 ( 4942 PWs) bands (ev): -59.9584 -59.9584 -32.5459 -32.5459 -29.3845 -29.3845 -29.3644 -29.3644 -21.3440 -21.3440 -6.6346 -6.6346 -5.6126 -5.6126 -5.1643 -5.1643 -3.9592 -3.9592 -2.9533 -2.9533 -2.6670 -2.6670 5.3060 5.3060 7.8573 7.8573 7.9359 7.9359 8.1292 8.1292 8.2329 8.2329 8.7144 8.7144 9.2399 9.2399 10.1492 10.1492 10.2081 10.2081 10.4677 10.4677 13.1923 13.1923 13.2076 13.2076 13.3764 13.3764 16.4805 16.4805 18.5928 18.5928 k = 0.0000 0.4756-0.0000 ( 4942 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3846 -29.3846 -29.3644 -29.3644 -21.3438 -21.3438 -6.6367 -6.6367 -5.6124 -5.6124 -5.1586 -5.1586 -3.9583 -3.9583 -2.9530 -2.9530 -2.6646 -2.6646 5.2872 5.2872 7.8554 7.8554 7.9328 7.9328 8.1227 8.1227 8.2274 8.2274 8.7075 8.7075 9.2352 9.2352 10.1479 10.1479 10.2069 10.2069 10.4684 10.4684 13.2062 13.2062 13.2130 13.2130 13.3851 13.3851 16.4947 16.4947 18.6067 18.6067 k = 0.0000 0.4878-0.0000 ( 4942 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3644 -29.3644 -21.3437 -21.3437 -6.6379 -6.6379 -5.6122 -5.6122 -5.1551 -5.1551 -3.9578 -3.9578 -2.9527 -2.9527 -2.6632 -2.6632 5.2759 5.2759 7.8542 7.8542 7.9310 7.9310 8.1188 8.1188 8.2241 8.2241 8.7033 8.7033 9.2324 9.2324 10.1471 10.1471 10.2061 10.2061 10.4688 10.4688 13.2146 13.2146 13.2160 13.2160 13.3907 13.3907 16.5033 16.5033 18.6151 18.6151 k = 0.0000 0.5000-0.0000 ( 4950 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3644 -29.3644 -21.3437 -21.3437 -6.6383 -6.6383 -5.6122 -5.6122 -5.1540 -5.1540 -3.9576 -3.9576 -2.9527 -2.9527 -2.6627 -2.6627 5.2721 5.2721 7.8539 7.8539 7.9304 7.9304 8.1175 8.1175 8.2231 8.2231 8.7019 8.7019 9.2315 9.2315 10.1469 10.1469 10.2059 10.2059 10.4690 10.4690 13.2170 13.2170 13.2174 13.2174 13.3926 13.3926 16.5062 16.5062 18.6179 18.6179 k = 0.0000 0.5000-0.0000 ( 4950 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3644 -29.3644 -21.3437 -21.3437 -6.6383 -6.6383 -5.6122 -5.6122 -5.1540 -5.1540 -3.9576 -3.9576 -2.9527 -2.9527 -2.6627 -2.6627 5.2721 5.2721 7.8539 7.8539 7.9304 7.9304 8.1175 8.1175 8.2231 8.2231 8.7019 8.7019 9.2315 9.2315 10.1469 10.1469 10.2059 10.2059 10.4690 10.4690 13.2170 13.2170 13.2174 13.2174 13.3926 13.3926 16.5062 16.5062 18.6179 18.6179 k = 0.0122 0.5000-0.0000 ( 4944 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3644 -29.3644 -21.3436 -21.3436 -6.6375 -6.6375 -5.6119 -5.6119 -5.1546 -5.1546 -3.9574 -3.9574 -2.9525 -2.9525 -2.6629 -2.6629 5.2720 5.2720 7.8483 7.8483 7.9249 7.9249 8.1155 8.1155 8.2210 8.2210 8.7099 8.7099 9.2352 9.2352 10.1347 10.1347 10.1915 10.1915 10.4917 10.4917 13.2172 13.2172 13.2219 13.2219 13.3950 13.3950 16.5091 16.5091 18.6193 18.6193 k = 0.0244 0.5000-0.0000 ( 4940 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3645 -29.3645 -21.3436 -21.3436 -6.6350 -6.6350 -5.6109 -5.6109 -5.1566 -5.1566 -3.9565 -3.9565 -2.9518 -2.9518 -2.6637 -2.6637 5.2719 5.2719 7.8292 7.8292 7.9126 7.9126 8.1090 8.1090 8.2149 8.2149 8.7322 8.7322 9.2467 9.2467 10.0972 10.0972 10.1624 10.1624 10.5470 10.5470 13.2167 13.2167 13.2354 13.2354 13.4032 13.4032 16.5180 16.5180 18.6234 18.6234 k = 0.0366 0.5000-0.0000 ( 4940 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3848 -29.3848 -29.3646 -29.3646 -21.3434 -21.3434 -6.6308 -6.6308 -5.6093 -5.6093 -5.1597 -5.1597 -3.9551 -3.9551 -2.9508 -2.9508 -2.6649 -2.6649 5.2716 5.2716 7.7929 7.7929 7.9006 7.9006 8.0973 8.0973 8.2053 8.2053 8.7650 8.7650 9.2662 9.2662 10.0419 10.0419 10.1290 10.1290 10.6182 10.6182 13.2158 13.2158 13.2540 13.2540 13.4196 13.4196 16.5330 16.5330 18.6303 18.6303 k = 0.0488 0.5000-0.0000 ( 4942 PWs) bands (ev): -59.9583 -59.9583 -32.5461 -32.5461 -29.3848 -29.3848 -29.3647 -29.3647 -21.3433 -21.3433 -6.6250 -6.6250 -5.6072 -5.6072 -5.1642 -5.1642 -3.9532 -3.9532 -2.9494 -2.9494 -2.6666 -2.6666 5.2713 5.2713 7.7412 7.7412 7.8912 7.8912 8.0792 8.0792 8.1930 8.1930 8.8038 8.8038 9.2944 9.2944 9.9795 9.9795 10.0903 10.0903 10.6972 10.6972 13.2146 13.2146 13.2727 13.2727 13.4477 13.4477 16.5540 16.5540 18.6398 18.6398 k = 0.0610 0.5000-0.0000 ( 4948 PWs) bands (ev): -59.9583 -59.9583 -32.5462 -32.5462 -29.3848 -29.3848 -29.3649 -29.3649 -21.3430 -21.3430 -6.6176 -6.6176 -5.6044 -5.6044 -5.1698 -5.1698 -3.9508 -3.9508 -2.9475 -2.9475 -2.6688 -2.6688 5.2708 5.2708 7.6790 7.6790 7.8830 7.8830 8.0534 8.0534 8.1791 8.1791 8.8445 8.8445 9.3318 9.3318 9.9153 9.9153 10.0462 10.0462 10.7807 10.7807 13.2132 13.2132 13.2874 13.2874 13.4899 13.4899 16.5812 16.5812 18.6519 18.6519 k = 0.0732 0.5000-0.0000 ( 4936 PWs) bands (ev): -59.9583 -59.9583 -32.5462 -32.5462 -29.3849 -29.3849 -29.3651 -29.3651 -21.3428 -21.3428 -6.6085 -6.6085 -5.6011 -5.6011 -5.1765 -5.1765 -3.9479 -3.9479 -2.9453 -2.9453 -2.6714 -2.6714 5.2703 5.2703 7.6099 7.6099 7.8750 7.8750 8.0188 8.0188 8.1643 8.1643 8.8843 8.8843 9.3782 9.3782 9.8515 9.8515 9.9981 9.9981 10.8673 10.8673 13.2115 13.2115 13.2971 13.2971 13.5450 13.5450 16.6147 16.6147 18.6664 18.6664 k = 0.0854 0.5000-0.0000 ( 4940 PWs) bands (ev): -59.9583 -59.9583 -32.5463 -32.5463 -29.3850 -29.3850 -29.3653 -29.3653 -21.3424 -21.3424 -6.5979 -6.5979 -5.5972 -5.5972 -5.1843 -5.1843 -3.9445 -3.9445 -2.9427 -2.9427 -2.6744 -2.6744 5.2697 5.2697 7.5367 7.5367 7.8665 7.8665 7.9749 7.9749 8.1489 8.1489 8.9216 8.9216 9.4333 9.4333 9.7893 9.7893 9.9480 9.9480 10.9559 10.9559 13.2097 13.2097 13.3029 13.3029 13.6099 13.6099 16.6547 16.6547 18.6833 18.6833 k = 0.0976 0.5000-0.0000 ( 4948 PWs) bands (ev): -59.9583 -59.9583 -32.5465 -32.5465 -29.3851 -29.3851 -29.3656 -29.3656 -21.3421 -21.3421 -6.5858 -6.5858 -5.5928 -5.5928 -5.1932 -5.1932 -3.9408 -3.9408 -2.9397 -2.9397 -2.6778 -2.6778 5.2689 5.2689 7.4609 7.4609 7.8573 7.8573 7.9217 7.9217 8.1329 8.1329 8.9559 8.9559 9.4959 9.4959 9.7293 9.7293 9.8976 9.8976 11.0460 11.0460 13.2078 13.2078 13.3061 13.3061 13.6813 13.6813 16.7012 16.7012 18.7025 18.7025 k = 0.1098 0.5000-0.0000 ( 4944 PWs) bands (ev): -59.9583 -59.9583 -32.5466 -32.5466 -29.3852 -29.3852 -29.3659 -29.3659 -21.3417 -21.3417 -6.5722 -6.5722 -5.5880 -5.5880 -5.2029 -5.2029 -3.9367 -3.9367 -2.9364 -2.9364 -2.6815 -2.6815 5.2681 5.2681 7.3837 7.3837 7.8464 7.8464 7.8601 7.8601 8.1160 8.1160 8.9875 8.9875 9.5642 9.5642 9.6724 9.6724 9.8487 9.8487 11.1373 11.1373 13.2059 13.2059 13.3078 13.3078 13.7565 13.7565 16.7543 16.7543 18.7238 18.7238 k = 0.1220 0.5000-0.0000 ( 4944 PWs) bands (ev): -59.9583 -59.9583 -32.5467 -32.5467 -29.3853 -29.3853 -29.3662 -29.3662 -21.3412 -21.3412 -6.5572 -6.5572 -5.5828 -5.5828 -5.2135 -5.2135 -3.9323 -3.9323 -2.9328 -2.9328 -2.6855 -2.6855 5.2672 5.2672 7.3059 7.3059 7.7872 7.7872 7.8374 7.8374 8.0983 8.0983 9.0167 9.0167 9.6110 9.6110 9.6443 9.6443 9.8024 9.8024 11.2295 11.2295 13.2041 13.2041 13.3087 13.3087 13.8333 13.8333 16.8140 16.8140 18.7472 18.7472 k = 0.1341 0.5000-0.0000 ( 4940 PWs) bands (ev): -59.9583 -59.9583 -32.5468 -32.5468 -29.3854 -29.3854 -29.3666 -29.3666 -21.3408 -21.3408 -6.5409 -6.5409 -5.5772 -5.5772 -5.2249 -5.2249 -3.9276 -3.9276 -2.9289 -2.9289 -2.6897 -2.6897 5.2662 5.2662 7.2282 7.2282 7.7077 7.7077 7.8259 7.8259 8.0794 8.0794 9.0443 9.0443 9.5631 9.5631 9.7169 9.7169 9.7601 9.7601 11.3222 11.3222 13.2024 13.2024 13.3091 13.3091 13.9099 13.9099 16.8802 16.8802 18.7725 18.7725 k = 0.1463 0.5000-0.0000 ( 4936 PWs) bands (ev): -59.9583 -59.9583 -32.5470 -32.5470 -29.3855 -29.3855 -29.3669 -29.3669 -21.3403 -21.3403 -6.5232 -6.5232 -5.5713 -5.5713 -5.2370 -5.2370 -3.9227 -3.9227 -2.9247 -2.9247 -2.6942 -2.6942 5.2651 5.2651 7.1510 7.1510 7.6205 7.6205 7.8139 7.8139 8.0594 8.0594 9.0708 9.0708 9.5144 9.5144 9.7209 9.7209 9.7963 9.7963 11.4151 11.4151 13.2010 13.2010 13.3094 13.3094 13.9849 13.9849 16.9528 16.9528 18.7996 18.7996 k = 0.1585 0.5000-0.0000 ( 4932 PWs) bands (ev): -59.9583 -59.9583 -32.5471 -32.5471 -29.3857 -29.3857 -29.3673 -29.3673 -21.3397 -21.3397 -6.5043 -6.5043 -5.5652 -5.5652 -5.2496 -5.2496 -3.9177 -3.9177 -2.9203 -2.9203 -2.6988 -2.6988 5.2639 5.2639 7.0747 7.0747 7.5267 7.5267 7.8012 7.8012 8.0382 8.0382 9.0965 9.0965 9.4685 9.4685 9.6871 9.6871 9.8761 9.8761 11.5082 11.5082 13.1999 13.1999 13.3099 13.3099 14.0574 14.0574 17.0314 17.0314 18.8283 18.8283 k = 0.1707 0.5000-0.0000 ( 4932 PWs) bands (ev): -59.9583 -59.9583 -32.5473 -32.5473 -29.3858 -29.3858 -29.3677 -29.3677 -21.3391 -21.3391 -6.4843 -6.4843 -5.5589 -5.5589 -5.2627 -5.2627 -3.9124 -3.9124 -2.9157 -2.9157 -2.7035 -2.7035 5.2626 5.2626 6.9995 6.9995 7.4270 7.4270 7.7879 7.7879 8.0158 8.0158 9.1217 9.1217 9.4256 9.4256 9.6577 9.6577 9.9563 9.9563 11.6011 11.6011 13.1991 13.1991 13.3107 13.3107 14.1265 14.1265 17.1157 17.1157 18.8586 18.8586 k = 0.1829 0.5000-0.0000 ( 4920 PWs) bands (ev): -59.9582 -59.9582 -32.5475 -32.5475 -29.3860 -29.3860 -29.3680 -29.3680 -21.3385 -21.3385 -6.4631 -6.4631 -5.5525 -5.5525 -5.2763 -5.2763 -3.9070 -3.9070 -2.9109 -2.9109 -2.7082 -2.7082 5.2613 5.2613 6.9258 6.9258 7.3225 7.3225 7.7742 7.7742 7.9925 7.9925 9.1467 9.1467 9.3856 9.3856 9.6327 9.6327 10.0361 10.0361 11.6936 11.6936 13.1988 13.1988 13.3121 13.3121 14.1918 14.1918 17.2053 17.2053 18.8903 18.8903 k = 0.1951 0.5000-0.0000 ( 4924 PWs) bands (ev): -59.9582 -59.9582 -32.5477 -32.5477 -29.3863 -29.3863 -29.3684 -29.3684 -21.3379 -21.3379 -6.4410 -6.4410 -5.5461 -5.5461 -5.2901 -5.2901 -3.9016 -3.9016 -2.9060 -2.9060 -2.7129 -2.7129 5.2598 5.2598 6.8537 6.8537 7.2144 7.2144 7.7600 7.7600 7.9681 7.9681 9.1714 9.1714 9.3487 9.3487 9.6118 9.6118 10.1148 10.1148 11.7854 11.7854 13.1989 13.1989 13.3143 13.3143 14.2528 14.2528 17.2994 17.2994 18.9232 18.9232 k = 0.2073 0.5000-0.0000 ( 4920 PWs) bands (ev): -59.9582 -59.9582 -32.5478 -32.5478 -29.3865 -29.3865 -29.3688 -29.3688 -21.3373 -21.3373 -6.4180 -6.4180 -5.5397 -5.5397 -5.3042 -5.3042 -3.8961 -3.8961 -2.9010 -2.9010 -2.7176 -2.7176 5.2582 5.2582 6.7834 6.7834 7.1034 7.1034 7.7455 7.7455 7.9430 7.9430 9.1960 9.1960 9.3146 9.3146 9.5947 9.5947 10.1917 10.1917 11.8764 11.8764 13.1993 13.1993 13.3175 13.3175 14.3095 14.3095 17.3974 17.3974 18.9571 18.9571 k = 0.2195 0.5000-0.0000 ( 4928 PWs) bands (ev): -59.9582 -59.9582 -32.5480 -32.5480 -29.3868 -29.3868 -29.3692 -29.3692 -21.3366 -21.3366 -6.3942 -6.3942 -5.5335 -5.5335 -5.3184 -5.3184 -3.8905 -3.8905 -2.8959 -2.8959 -2.7222 -2.7222 5.2564 5.2564 6.7150 6.7150 6.9908 6.9908 7.7307 7.7307 7.9172 7.9172 9.2202 9.2202 9.2837 9.2837 9.5810 9.5810 10.2666 10.2666 11.9663 11.9663 13.2001 13.2001 13.3220 13.3220 14.3617 14.3617 17.4987 17.4987 18.9919 18.9919 k = 0.2317 0.5000-0.0000 ( 4928 PWs) bands (ev): -59.9582 -59.9582 -32.5482 -32.5482 -29.3871 -29.3871 -29.3695 -29.3695 -21.3360 -21.3360 -6.3696 -6.3696 -5.5276 -5.5276 -5.3327 -5.3327 -3.8850 -3.8850 -2.8908 -2.8908 -2.7266 -2.7266 5.2546 5.2546 6.6485 6.6485 6.8774 6.8774 7.7158 7.7158 7.8909 7.8909 9.2405 9.2405 9.2591 9.2591 9.5703 9.5703 10.3389 10.3389 12.0548 12.0548 13.2010 13.2010 13.3279 13.3279 14.4097 14.4097 17.6023 17.6023 19.0274 19.0274 k = 0.2439 0.5000-0.0000 ( 4936 PWs) bands (ev): -59.9582 -59.9582 -32.5485 -32.5485 -29.3874 -29.3874 -29.3699 -29.3699 -21.3353 -21.3353 -6.3445 -6.3445 -5.5220 -5.5220 -5.3469 -5.3469 -3.8794 -3.8794 -2.8857 -2.8857 -2.7308 -2.7308 5.2525 5.2525 6.5841 6.5841 6.7643 6.7643 7.7007 7.7007 7.8644 7.8644 9.2257 9.2257 9.2719 9.2719 9.5623 9.5623 10.4084 10.4084 12.1418 12.1418 13.2021 13.2021 13.3356 13.3356 14.4535 14.4535 17.7076 17.7076 19.0633 19.0633 k = 0.2561 0.5000-0.0000 ( 4936 PWs) bands (ev): -59.9582 -59.9582 -32.5487 -32.5487 -29.3877 -29.3877 -29.3702 -29.3702 -21.3347 -21.3347 -6.3188 -6.3188 -5.5168 -5.5168 -5.3609 -5.3609 -3.8739 -3.8739 -2.8807 -2.8807 -2.7347 -2.7347 5.2503 5.2503 6.5216 6.5216 6.6524 6.6524 7.6856 7.6856 7.8377 7.8377 9.2025 9.2025 9.2953 9.2953 9.5565 9.5565 10.4747 10.4747 12.2270 12.2270 13.2031 13.2031 13.3451 13.3451 14.4933 14.4933 17.8136 17.8136 19.0996 19.0996 k = 0.2683 0.5000-0.0000 ( 4924 PWs) bands (ev): -59.9581 -59.9581 -32.5488 -32.5488 -29.3880 -29.3880 -29.3705 -29.3705 -21.3340 -21.3340 -6.2927 -6.2927 -5.5121 -5.5121 -5.3747 -5.3747 -3.8684 -3.8684 -2.8758 -2.8758 -2.7384 -2.7384 5.2478 5.2478 6.4603 6.4603 6.5435 6.5435 7.6706 7.6706 7.8112 7.8112 9.1809 9.1809 9.3189 9.3189 9.5527 9.5527 10.5376 10.5376 12.3101 12.3101 13.2041 13.2041 13.3566 13.3566 14.5295 14.5295 17.9197 17.9197 19.1359 19.1359 k = 0.2805 0.5000-0.0000 ( 4920 PWs) bands (ev): -59.9581 -59.9581 -32.5490 -32.5490 -29.3884 -29.3884 -29.3708 -29.3708 -21.3333 -21.3333 -6.2664 -6.2664 -5.5081 -5.5081 -5.3882 -5.3882 -3.8630 -3.8630 -2.8710 -2.8710 -2.7417 -2.7417 5.2451 5.2451 6.3958 6.3958 6.4425 6.4425 7.6557 7.6557 7.7849 7.7849 9.1613 9.1613 9.3422 9.3422 9.5506 9.5506 10.5969 10.5969 12.3908 12.3908 13.2049 13.2049 13.3701 13.3701 14.5622 14.5622 18.0249 18.0249 19.1720 19.1720 k = 0.2927 0.5000-0.0000 ( 4924 PWs) bands (ev): -59.9581 -59.9581 -32.5492 -32.5492 -29.3887 -29.3887 -29.3711 -29.3711 -21.3327 -21.3327 -6.2398 -6.2398 -5.5049 -5.5049 -5.4012 -5.4012 -3.8577 -3.8577 -2.8664 -2.8664 -2.7446 -2.7446 5.2420 5.2420 6.3122 6.3122 6.3663 6.3663 7.6411 7.6411 7.7591 7.7591 9.1434 9.1434 9.3651 9.3651 9.5499 9.5499 10.6524 10.6524 12.4690 12.4690 13.2056 13.2056 13.3855 13.3855 14.5916 14.5916 18.1285 18.1285 19.2079 19.2079 k = 0.3049 0.5000-0.0000 ( 4920 PWs) bands (ev): -59.9581 -59.9581 -32.5494 -32.5494 -29.3891 -29.3891 -29.3713 -29.3713 -21.3320 -21.3320 -6.2133 -6.2133 -5.5025 -5.5025 -5.4136 -5.4136 -3.8524 -3.8524 -2.8620 -2.8620 -2.7471 -2.7471 5.2385 5.2385 6.2152 6.2152 6.3097 6.3097 7.6267 7.6267 7.7340 7.7340 9.1273 9.1273 9.3874 9.3874 9.5503 9.5503 10.7041 10.7041 12.5443 12.5443 13.2061 13.2061 13.4028 13.4028 14.6182 14.6182 18.2299 18.2299 19.2431 19.2431 k = 0.3171 0.5000-0.0000 ( 4914 PWs) bands (ev): -59.9581 -59.9581 -32.5496 -32.5496 -29.3894 -29.3894 -29.3715 -29.3715 -21.3314 -21.3314 -6.1868 -6.1868 -5.5012 -5.5012 -5.4252 -5.4252 -3.8473 -3.8473 -2.8579 -2.8579 -2.7492 -2.7492 5.2345 5.2345 6.1190 6.1190 6.2595 6.2595 7.6126 7.6126 7.7097 7.7097 9.1128 9.1128 9.4090 9.4090 9.5517 9.5517 10.7519 10.7519 12.6166 12.6166 13.2065 13.2065 13.4216 13.4216 14.6420 14.6420 18.3283 18.3283 19.2776 19.2776 k = 0.3293 0.5000-0.0000 ( 4914 PWs) bands (ev): -59.9581 -59.9581 -32.5497 -32.5497 -29.3898 -29.3898 -29.3717 -29.3717 -21.3308 -21.3308 -6.1605 -6.1605 -5.5011 -5.5011 -5.4359 -5.4359 -3.8422 -3.8422 -2.8541 -2.8541 -2.7509 -2.7509 5.2300 5.2300 6.0267 6.0267 6.2131 6.2131 7.5990 7.5990 7.6864 7.6864 9.0997 9.0997 9.4298 9.4298 9.5538 9.5538 10.7958 10.7958 12.6854 12.6854 13.2068 13.2068 13.4417 13.4417 14.6634 14.6634 18.4231 18.4231 19.3112 19.3112 k = 0.3415 0.5000-0.0000 ( 4910 PWs) bands (ev): -59.9581 -59.9581 -32.5499 -32.5499 -29.3902 -29.3902 -29.3719 -29.3719 -21.3303 -21.3303 -6.1346 -6.1346 -5.5024 -5.5024 -5.4453 -5.4453 -3.8374 -3.8374 -2.8506 -2.8506 -2.7522 -2.7522 5.2246 5.2246 5.9395 5.9395 6.1699 6.1699 7.5859 7.5859 7.6643 7.6643 9.0881 9.0881 9.4497 9.4497 9.5564 9.5564 10.8359 10.8359 12.7506 12.7506 13.2071 13.2071 13.4628 13.4628 14.6825 14.6825 18.5137 18.5137 19.3435 19.3435 k = 0.3537 0.5000-0.0000 ( 4910 PWs) bands (ev): -59.9581 -59.9581 -32.5501 -32.5501 -29.3905 -29.3905 -29.3721 -29.3721 -21.3297 -21.3297 -6.1092 -6.1092 -5.5053 -5.5053 -5.4534 -5.4534 -3.8327 -3.8327 -2.8474 -2.8474 -2.7531 -2.7531 5.2184 5.2184 5.8581 5.8581 6.1298 6.1298 7.5732 7.5732 7.6436 7.6436 9.0777 9.0777 9.4685 9.4685 9.5594 9.5594 10.8722 10.8722 12.8119 12.8119 13.2075 13.2075 13.4846 13.4846 14.6995 14.6995 18.5997 18.5997 19.3691 19.3691 k = 0.3659 0.5000-0.0000 ( 4910 PWs) bands (ev): -59.9580 -59.9580 -32.5502 -32.5502 -29.3909 -29.3909 -29.3722 -29.3722 -21.3292 -21.3292 -6.0845 -6.0845 -5.5097 -5.5097 -5.4601 -5.4601 -3.8282 -3.8282 -2.8445 -2.8445 -2.7537 -2.7537 5.2111 5.2111 5.7834 5.7834 6.0929 6.0929 7.5611 7.5611 7.6243 7.6243 9.0684 9.0684 9.4862 9.4862 9.5628 9.5628 10.9048 10.9048 12.8690 12.8690 13.2080 13.2080 13.5066 13.5066 14.7145 14.7145 18.6804 18.6804 19.3381 19.3381 k = 0.3780 0.5000-0.0000 ( 4906 PWs) bands (ev): -59.9580 -59.9580 -32.5504 -32.5504 -29.3912 -29.3912 -29.3724 -29.3724 -21.3287 -21.3287 -6.0606 -6.0606 -5.5155 -5.5155 -5.4655 -5.4655 -3.8239 -3.8239 -2.8419 -2.8419 -2.7539 -2.7539 5.2025 5.2025 5.7157 5.7157 6.0590 6.0590 7.5496 7.5496 7.6065 7.6065 9.0602 9.0602 9.5026 9.5026 9.5662 9.5662 10.9339 10.9339 12.9216 12.9216 13.2087 13.2087 13.5284 13.5284 14.7279 14.7279 18.7555 18.7555 19.3095 19.3095 k = 0.3902 0.5000-0.0000 ( 4906 PWs) bands (ev): -59.9580 -59.9580 -32.5505 -32.5505 -29.3915 -29.3915 -29.3725 -29.3725 -21.3283 -21.3283 -6.0378 -6.0378 -5.5221 -5.5221 -5.4699 -5.4699 -3.8199 -3.8199 -2.8397 -2.8397 -2.7539 -2.7539 5.1925 5.1925 5.6556 5.6556 6.0283 6.0283 7.5388 7.5388 7.5905 7.5905 9.0531 9.0531 9.5177 9.5177 9.5698 9.5698 10.9596 10.9596 12.9693 12.9693 13.2099 13.2099 13.5497 13.5497 14.7395 14.7395 18.8245 18.8245 19.2835 19.2835 k = 0.4024 0.5000-0.0000 ( 4906 PWs) bands (ev): -59.9580 -59.9580 -32.5506 -32.5506 -29.3918 -29.3918 -29.3726 -29.3726 -21.3279 -21.3279 -6.0163 -6.0163 -5.5291 -5.5291 -5.4737 -5.4737 -3.8162 -3.8162 -2.8378 -2.8378 -2.7537 -2.7537 5.1811 5.1811 5.6034 5.6034 6.0007 6.0007 7.5286 7.5286 7.5763 7.5763 9.0468 9.0468 9.5313 9.5313 9.5733 9.5733 10.9821 10.9821 13.0119 13.0119 13.2117 13.2117 13.5701 13.5701 14.7497 14.7497 18.8872 18.8872 19.2600 19.2600 k = 0.4146 0.5000-0.0000 ( 4904 PWs) bands (ev): -59.9580 -59.9580 -32.5507 -32.5507 -29.3921 -29.3921 -29.3726 -29.3726 -21.3275 -21.3275 -5.9963 -5.9963 -5.5362 -5.5362 -5.4770 -5.4770 -3.8128 -3.8128 -2.8361 -2.8361 -2.7533 -2.7533 5.1684 5.1684 5.5594 5.5594 5.9763 5.9763 7.5193 7.5193 7.5638 7.5638 9.0415 9.0415 9.5434 9.5434 9.5767 9.5767 11.0014 11.0014 13.0489 13.0489 13.2142 13.2142 13.5891 13.5891 14.7585 14.7585 18.9432 18.9432 19.2392 19.2392 k = 0.4268 0.5000-0.0000 ( 4898 PWs) bands (ev): -59.9580 -59.9580 -32.5508 -32.5508 -29.3923 -29.3923 -29.3727 -29.3727 -21.3272 -21.3272 -5.9781 -5.9781 -5.5430 -5.5430 -5.4800 -5.4800 -3.8098 -3.8098 -2.8347 -2.8347 -2.7528 -2.7528 5.1549 5.1549 5.5232 5.5232 5.9551 5.9551 7.5108 7.5108 7.5532 7.5532 9.0369 9.0369 9.5537 9.5537 9.5801 9.5801 11.0179 11.0179 13.0799 13.0799 13.2178 13.2178 13.6064 13.6064 14.7659 14.7659 18.9922 18.9922 19.2211 19.2211 k = 0.4390 0.5000-0.0000 ( 4898 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3925 -29.3925 -29.3728 -29.3728 -21.3269 -21.3269 -5.9619 -5.9619 -5.5493 -5.5493 -5.4827 -5.4827 -3.8072 -3.8072 -2.8335 -2.8335 -2.7523 -2.7523 5.1412 5.1412 5.4945 5.4945 5.9371 5.9371 7.5032 7.5032 7.5444 7.5444 9.0331 9.0331 9.5622 9.5622 9.5834 9.5834 11.0315 11.0315 13.1046 13.1046 13.2225 13.2225 13.6217 13.6217 14.7720 14.7720 19.0341 19.0341 19.2057 19.2057 k = 0.4512 0.5000-0.0000 ( 4896 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3927 -29.3927 -29.3728 -29.3728 -21.3267 -21.3267 -5.9480 -5.9480 -5.5549 -5.5549 -5.4850 -5.4850 -3.8051 -3.8051 -2.8326 -2.8326 -2.7518 -2.7518 5.1282 5.1282 5.4725 5.4725 5.9224 5.9224 7.4969 7.4969 7.5373 7.5373 9.0301 9.0301 9.5688 9.5688 9.5867 9.5867 11.0425 11.0425 13.1231 13.1231 13.2284 13.2284 13.6346 13.6346 14.7770 14.7770 19.0685 19.0685 19.1931 19.1931 k = 0.4634 0.5000-0.0000 ( 4900 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3928 -29.3928 -29.3729 -29.3729 -21.3265 -21.3265 -5.9368 -5.9368 -5.5595 -5.5595 -5.4869 -5.4869 -3.8034 -3.8034 -2.8319 -2.8319 -2.7514 -2.7514 5.1168 5.1168 5.4565 5.4565 5.9109 5.9109 7.4918 7.4918 7.5319 7.5319 9.0278 9.0278 9.5735 9.5735 9.5897 9.5897 11.0509 11.0509 13.1359 13.1359 13.2346 13.2346 13.6449 13.6449 14.7808 14.7808 19.0955 19.0955 19.1833 19.1833 k = 0.4756 0.5000-0.0000 ( 4896 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3929 -29.3929 -29.3729 -29.3729 -21.3264 -21.3264 -5.9286 -5.9286 -5.5629 -5.5629 -5.4883 -5.4883 -3.8021 -3.8021 -2.8314 -2.8314 -2.7511 -2.7511 5.1081 5.1081 5.4456 5.4456 5.9027 5.9027 7.4880 7.4880 7.5281 7.5281 9.0261 9.0261 9.5766 9.5766 9.5922 9.5922 11.0569 11.0569 13.1439 13.1439 13.2402 13.2402 13.6524 13.6524 14.7835 14.7835 19.1147 19.1147 19.1763 19.1763 k = 0.4878 0.5000-0.0000 ( 4872 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3929 -29.3929 -29.3728 -29.3728 -21.3263 -21.3263 -5.9236 -5.9236 -5.5651 -5.5651 -5.4892 -5.4892 -3.8014 -3.8014 -2.8311 -2.8311 -2.7509 -2.7509 5.1025 5.1025 5.4393 5.4393 5.8977 5.8977 7.4858 7.4858 7.5258 7.5258 9.0251 9.0251 9.5783 9.5783 9.5938 9.5938 11.0604 11.0604 13.1483 13.1483 13.2440 13.2440 13.6570 13.6570 14.7851 14.7851 19.1263 19.1263 19.1722 19.1722 k = 0.5000 0.5000-0.0000 ( 4844 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3928 -29.3928 -29.3728 -29.3728 -21.3263 -21.3263 -5.9219 -5.9219 -5.5658 -5.5658 -5.4895 -5.4895 -3.8011 -3.8011 -2.8310 -2.8310 -2.7508 -2.7508 5.1007 5.1007 5.4373 5.4373 5.8961 5.8961 7.4850 7.4850 7.5250 7.5250 9.0248 9.0248 9.5788 9.5788 9.5944 9.5944 11.0616 11.0616 13.1497 13.1497 13.2454 13.2454 13.6585 13.6585 14.7857 14.7857 19.1302 19.1302 19.1708 19.1708 k = 0.5000 0.5000-0.0000 ( 4844 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3928 -29.3928 -29.3728 -29.3728 -21.3263 -21.3263 -5.9219 -5.9219 -5.5658 -5.5658 -5.4895 -5.4895 -3.8011 -3.8011 -2.8310 -2.8310 -2.7508 -2.7508 5.1007 5.1007 5.4373 5.4373 5.8961 5.8961 7.4850 7.4850 7.5250 7.5250 9.0248 9.0248 9.5788 9.5788 9.5944 9.5944 11.0616 11.0616 13.1497 13.1497 13.2454 13.2454 13.6585 13.6585 14.7857 14.7857 19.1302 19.1302 19.1708 19.1708 k = 0.4912 0.4912-0.0000 ( 4876 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3929 -29.3929 -29.3728 -29.3728 -21.3263 -21.3263 -5.9236 -5.9236 -5.5651 -5.5651 -5.4892 -5.4892 -3.8014 -3.8014 -2.8311 -2.8311 -2.7509 -2.7509 5.1026 5.1026 5.4394 5.4394 5.8978 5.8978 7.4858 7.4858 7.5258 7.5258 9.0251 9.0251 9.5782 9.5782 9.5938 9.5938 11.0604 11.0604 13.1483 13.1483 13.2439 13.2439 13.6569 13.6569 14.7851 14.7851 19.1262 19.1262 19.1722 19.1722 k = 0.4825 0.4825-0.0000 ( 4896 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3929 -29.3929 -29.3729 -29.3729 -21.3264 -21.3264 -5.9288 -5.9288 -5.5629 -5.5629 -5.4882 -5.4882 -3.8021 -3.8021 -2.8314 -2.8314 -2.7511 -2.7511 5.1085 5.1085 5.4457 5.4457 5.9029 5.9029 7.4882 7.4882 7.5282 7.5282 9.0262 9.0262 9.5762 9.5762 9.5924 9.5924 11.0568 11.0568 13.1441 13.1441 13.2397 13.2397 13.6522 13.6522 14.7834 14.7834 19.1143 19.1143 19.1763 19.1763 k = 0.4737 0.4737-0.0000 ( 4900 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3928 -29.3928 -29.3729 -29.3729 -21.3265 -21.3265 -5.9372 -5.9372 -5.5597 -5.5597 -5.4866 -5.4866 -3.8034 -3.8034 -2.8319 -2.8319 -2.7515 -2.7515 5.1184 5.1184 5.4562 5.4562 5.9114 5.9114 7.4921 7.4921 7.5321 7.5321 9.0278 9.0278 9.5720 9.5720 9.5909 9.5909 11.0507 11.0507 13.1370 13.1370 13.2325 13.2325 13.6442 13.6442 14.7807 14.7807 19.0945 19.0945 19.1830 19.1830 k = 0.4649 0.4649-0.0000 ( 4906 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3927 -29.3927 -29.3728 -29.3728 -21.3267 -21.3267 -5.9483 -5.9483 -5.5559 -5.5559 -5.4841 -5.4841 -3.8052 -3.8052 -2.8326 -2.8326 -2.7519 -2.7519 5.1321 5.1321 5.4708 5.4708 5.9234 5.9234 7.4975 7.4975 7.5376 7.5376 9.0302 9.0302 9.5650 9.5650 9.5900 9.5900 11.0423 11.0423 13.1272 13.1272 13.2227 13.2227 13.6332 13.6332 14.7768 14.7768 19.0670 19.0670 19.1917 19.1917 k = 0.4561 0.4561-0.0000 ( 4899 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3925 -29.3925 -29.3728 -29.3728 -21.3269 -21.3269 -5.9618 -5.9618 -5.5521 -5.5521 -5.4807 -5.4807 -3.8075 -3.8075 -2.8336 -2.8336 -2.7525 -2.7525 5.1498 5.1498 5.4894 5.4894 5.9388 5.9388 7.5043 7.5043 7.5448 7.5448 9.0333 9.0333 9.5554 9.5554 9.5898 9.5898 11.0315 11.0315 13.1144 13.1144 13.2101 13.2101 13.6190 13.6190 14.7718 14.7718 19.0319 19.0319 19.2018 19.2018 k = 0.4474 0.4474-0.0000 ( 4909 PWs) bands (ev): -59.9580 -59.9580 -32.5508 -32.5508 -29.3923 -29.3923 -29.3727 -29.3727 -21.3272 -21.3272 -5.9773 -5.9773 -5.5485 -5.5485 -5.4764 -5.4764 -3.8103 -3.8103 -2.8348 -2.8348 -2.7532 -2.7532 5.1713 5.1713 5.5119 5.5119 5.9578 5.9578 7.5125 7.5125 7.5537 7.5537 9.0371 9.0371 9.5436 9.5436 9.5900 9.5900 11.0185 11.0185 13.0988 13.0988 13.1948 13.1948 13.6018 13.6018 14.7656 14.7656 18.9893 18.9893 19.2125 19.2125 k = 0.4386 0.4386-0.0000 ( 4905 PWs) bands (ev): -59.9580 -59.9580 -32.5507 -32.5507 -29.3920 -29.3920 -29.3727 -29.3727 -21.3276 -21.3276 -5.9943 -5.9943 -5.5456 -5.5456 -5.4713 -5.4713 -3.8135 -3.8135 -2.8362 -2.8362 -2.7539 -2.7539 5.1966 5.1966 5.5383 5.5383 5.9802 5.9802 7.5220 7.5220 7.5644 7.5644 9.0416 9.0416 9.5297 9.5297 9.5906 9.5906 11.0033 11.0033 13.0804 13.0804 13.1771 13.1771 13.5815 13.5815 14.7584 14.7584 18.9394 18.9394 19.2223 19.2223 k = 0.4298 0.4298-0.0000 ( 4911 PWs) bands (ev): -59.9580 -59.9580 -32.5506 -32.5506 -29.3917 -29.3917 -29.3726 -29.3726 -21.3280 -21.3280 -6.0125 -6.0125 -5.5435 -5.5435 -5.4656 -5.4656 -3.8171 -3.8171 -2.8379 -2.8379 -2.7547 -2.7547 5.2257 5.2257 5.5683 5.5683 6.0063 6.0063 7.5326 7.5326 7.5769 7.5769 9.0468 9.0468 9.5142 9.5142 9.5914 9.5914 10.9860 10.9860 13.0590 13.0590 13.1569 13.1569 13.5583 13.5583 14.7499 14.7499 18.8825 18.8825 19.2294 19.2294 k = 0.4211 0.4211-0.0000 ( 4907 PWs) bands (ev): -59.9580 -59.9580 -32.5505 -32.5505 -29.3914 -29.3914 -29.3725 -29.3725 -21.3284 -21.3284 -6.0315 -6.0315 -5.5422 -5.5422 -5.4595 -5.4595 -3.8211 -3.8211 -2.8399 -2.8399 -2.7555 -2.7555 5.2585 5.2585 5.6018 5.6018 6.0361 6.0361 7.5443 7.5443 7.5913 7.5913 9.0527 9.0527 9.4974 9.4974 9.5926 9.5926 10.9666 10.9666 13.0347 13.0347 13.1343 13.1343 13.5322 13.5322 14.7403 14.7403 18.8188 18.8188 19.2315 19.2315 k = 0.4123 0.4123-0.0000 ( 4907 PWs) bands (ev): -59.9580 -59.9580 -32.5503 -32.5503 -29.3910 -29.3910 -29.3724 -29.3724 -21.3289 -21.3289 -6.0512 -6.0512 -5.5417 -5.5417 -5.4535 -5.4535 -3.8255 -3.8255 -2.8421 -2.8421 -2.7563 -2.7563 5.2950 5.2950 5.6386 5.6386 6.0695 6.0695 7.5569 7.5569 7.6076 7.6076 9.0594 9.0594 9.4795 9.4795 9.5939 9.5939 10.9454 10.9454 13.0075 13.0075 13.1095 13.1095 13.5032 13.5032 14.7295 14.7295 18.7485 18.7485 19.2264 19.2264 k = 0.4035 0.4035-0.0000 ( 4911 PWs) bands (ev): -59.9581 -59.9581 -32.5502 -32.5502 -29.3906 -29.3906 -29.3723 -29.3723 -21.3294 -21.3294 -6.0712 -6.0712 -5.5417 -5.5417 -5.4477 -5.4477 -3.8302 -3.8302 -2.8446 -2.8446 -2.7571 -2.7571 5.3350 5.3350 5.6785 5.6785 6.1068 6.1068 7.5704 7.5704 7.6259 7.6259 9.0669 9.0669 9.4608 9.4608 9.5956 9.5956 10.9223 10.9223 12.9776 12.9776 13.0825 13.0825 13.4715 13.4715 14.7175 14.7175 18.6719 18.6719 19.2127 19.2127 k = 0.3947 0.3947-0.0000 ( 4911 PWs) bands (ev): -59.9581 -59.9581 -32.5500 -32.5500 -29.3902 -29.3902 -29.3722 -29.3722 -21.3300 -21.3300 -6.0914 -6.0914 -5.5423 -5.5423 -5.4425 -5.4425 -3.8353 -3.8353 -2.8474 -2.8474 -2.7579 -2.7579 5.3785 5.3785 5.7212 5.7212 6.1479 6.1479 7.5847 7.5847 7.6461 7.6461 9.0752 9.0752 9.4416 9.4416 9.5974 9.5974 10.8975 10.8975 12.9448 12.9448 13.0534 13.0534 13.4371 13.4371 14.7043 14.7043 18.5893 18.5893 19.1903 19.1903 k = 0.3860 0.3860-0.0000 ( 4917 PWs) bands (ev): -59.9581 -59.9581 -32.5498 -32.5498 -29.3897 -29.3897 -29.3721 -29.3721 -21.3307 -21.3307 -6.1116 -6.1116 -5.5434 -5.5434 -5.4380 -5.4380 -3.8406 -3.8406 -2.8504 -2.8504 -2.7587 -2.7587 5.4254 5.4254 5.7667 5.7667 6.1929 6.1929 7.5998 7.5998 7.6683 7.6683 9.0843 9.0843 9.4223 9.4223 9.5996 9.5996 10.8712 10.8712 12.9093 12.9093 13.0222 13.0222 13.4002 13.4002 14.6899 14.6899 18.5009 18.5009 19.1604 19.1604 k = 0.3772 0.3772-0.0000 ( 4919 PWs) bands (ev): -59.9581 -59.9581 -32.5496 -32.5496 -29.3892 -29.3892 -29.3719 -29.3719 -21.3313 -21.3313 -6.1316 -6.1316 -5.5447 -5.5447 -5.4345 -5.4345 -3.8462 -3.8462 -2.8538 -2.8538 -2.7595 -2.7595 5.4757 5.4757 5.8145 5.8145 6.2419 6.2419 7.6155 7.6155 7.6925 7.6925 9.0942 9.0942 9.4031 9.4031 9.6021 9.6021 10.8435 10.8435 12.8713 12.8713 12.9890 12.9890 13.3607 13.3607 14.6742 14.6742 18.4070 18.4070 19.1244 19.1244 k = 0.3684 0.3684-0.0000 ( 4915 PWs) bands (ev): -59.9581 -59.9581 -32.5494 -32.5494 -29.3887 -29.3887 -29.3718 -29.3718 -21.3321 -21.3321 -6.1513 -6.1513 -5.5465 -5.5465 -5.4320 -5.4320 -3.8520 -3.8520 -2.8574 -2.8574 -2.7603 -2.7603 5.5292 5.5292 5.8647 5.8647 6.2949 6.2949 7.6318 7.6318 7.7185 7.7185 9.1049 9.1049 9.3844 9.3844 9.6048 9.6048 10.8145 10.8145 12.8308 12.8308 12.9538 12.9538 13.3189 13.3189 14.6572 14.6572 18.3079 18.3079 19.0834 19.0834 k = 0.3596 0.3596-0.0000 ( 4919 PWs) bands (ev): -59.9581 -59.9581 -32.5492 -32.5492 -29.3881 -29.3881 -29.3717 -29.3717 -21.3328 -21.3328 -6.1707 -6.1707 -5.5484 -5.5484 -5.4305 -5.4305 -3.8581 -3.8581 -2.8612 -2.8612 -2.7612 -2.7612 5.5859 5.5859 5.9168 5.9168 6.3519 6.3519 7.6488 7.6488 7.7465 7.7465 9.1166 9.1166 9.3665 9.3665 9.6079 9.6079 10.7843 10.7843 12.7879 12.7879 12.9166 12.9166 13.2747 13.2747 14.6389 14.6389 18.2039 18.2039 19.0383 19.0383 k = 0.3509 0.3509-0.0000 ( 4935 PWs) bands (ev): -59.9581 -59.9581 -32.5490 -32.5490 -29.3876 -29.3876 -29.3716 -29.3716 -21.3336 -21.3336 -6.1897 -6.1897 -5.5507 -5.5507 -5.4303 -5.4303 -3.8643 -3.8643 -2.8653 -2.8653 -2.7621 -2.7621 5.6456 5.6456 5.9708 5.9708 6.4128 6.4128 7.6662 7.6662 7.7763 7.7763 9.1291 9.1291 9.3497 9.3497 9.6114 9.6114 10.7532 10.7532 12.7428 12.7428 12.8775 12.8775 13.2284 13.2284 14.6194 14.6194 18.0953 18.0953 18.9897 18.9897 k = 0.3421 0.3421-0.0000 ( 4935 PWs) bands (ev): -59.9582 -59.9582 -32.5488 -32.5488 -29.3870 -29.3870 -29.3714 -29.3714 -21.3345 -21.3345 -6.2081 -6.2081 -5.5531 -5.5531 -5.4312 -5.4312 -3.8708 -3.8708 -2.8695 -2.8695 -2.7632 -2.7632 5.7081 5.7081 6.0266 6.0266 6.4777 6.4777 7.6841 7.6841 7.8079 7.8079 9.1425 9.1425 9.3343 9.3343 9.6153 9.6153 10.7212 10.7212 12.6957 12.6957 12.8365 12.8365 13.1799 13.1799 14.5985 14.5985 17.9822 17.9822 18.9382 18.9382 k = 0.3333 0.3333-0.0000 ( 4943 PWs) bands (ev): -59.9582 -59.9582 -32.5486 -32.5486 -29.3864 -29.3864 -29.3712 -29.3712 -21.3354 -21.3354 -6.2259 -6.2259 -5.5557 -5.5557 -5.4332 -5.4332 -3.8774 -3.8774 -2.8740 -2.8740 -2.7644 -2.7644 5.7735 5.7735 6.0839 6.0839 6.5465 6.5465 7.7024 7.7024 7.8413 7.8413 9.1569 9.1569 9.3205 9.3205 9.6196 9.6196 10.6885 10.6885 12.6467 12.6467 12.7936 12.7936 13.1295 13.1295 14.5763 14.5763 17.8651 17.8651 18.8841 18.8841 k = 0.3246 0.3246-0.0000 ( 4929 PWs) bands (ev): -59.9582 -59.9582 -32.5483 -32.5483 -29.3857 -29.3857 -29.3710 -29.3710 -21.3363 -21.3363 -6.2430 -6.2430 -5.5585 -5.5585 -5.4364 -5.4364 -3.8842 -3.8842 -2.8786 -2.8786 -2.7658 -2.7658 5.8415 5.8415 6.1427 6.1427 6.6190 6.6190 7.7211 7.7211 7.8766 7.8766 9.1723 9.1723 9.3088 9.3088 9.6243 9.6243 10.6554 10.6554 12.5958 12.5958 12.7488 12.7488 13.0772 13.0772 14.5528 14.5528 17.7440 17.7440 18.8277 18.8277 k = 0.3158 0.3158-0.0000 ( 4925 PWs) bands (ev): -59.9582 -59.9582 -32.5480 -32.5480 -29.3850 -29.3850 -29.3709 -29.3709 -21.3372 -21.3372 -6.2594 -6.2594 -5.5614 -5.5614 -5.4406 -5.4406 -3.8912 -3.8912 -2.8833 -2.8833 -2.7675 -2.7675 5.9119 5.9119 6.2029 6.2029 6.6950 6.6950 7.7399 7.7399 7.9135 7.9135 9.1886 9.1886 9.2992 9.2992 9.6295 9.6295 10.6218 10.6218 12.5434 12.5434 12.7021 12.7021 13.0231 13.0231 14.5279 14.5279 17.6194 17.6194 18.7692 18.7692 k = 0.3070 0.3070-0.0000 ( 4921 PWs) bands (ev): -59.9582 -59.9582 -32.5477 -32.5477 -29.3843 -29.3843 -29.3707 -29.3707 -21.3382 -21.3382 -6.2751 -6.2751 -5.5644 -5.5644 -5.4458 -5.4458 -3.8983 -3.8983 -2.8881 -2.8881 -2.7696 -2.7696 5.9847 5.9847 6.2645 6.2645 6.7744 6.7744 7.7590 7.7590 7.9522 7.9522 9.2059 9.2059 9.2921 9.2921 9.6352 9.6352 10.5881 10.5881 12.4894 12.4894 12.6537 12.6537 12.9672 12.9672 14.5017 14.5017 17.4914 17.4914 18.7087 18.7087 k = 0.2982 0.2982-0.0000 ( 4923 PWs) bands (ev): -59.9582 -59.9582 -32.5475 -32.5475 -29.3836 -29.3836 -29.3705 -29.3705 -21.3392 -21.3392 -6.2901 -6.2901 -5.5676 -5.5676 -5.4520 -5.4520 -3.9055 -3.9055 -2.8930 -2.8930 -2.7720 -2.7720 6.0597 6.0597 6.3273 6.3273 6.8571 6.8571 7.7782 7.7782 7.9926 7.9926 9.2242 9.2242 9.2877 9.2877 9.6415 9.6415 10.5542 10.5542 12.4342 12.4342 12.6034 12.6034 12.9098 12.9098 14.4741 14.4741 17.3604 17.3604 18.6464 18.6464 k = 0.2895 0.2895-0.0000 ( 4927 PWs) bands (ev): -59.9583 -59.9583 -32.5472 -32.5472 -29.3829 -29.3829 -29.3703 -29.3703 -21.3403 -21.3403 -6.3043 -6.3043 -5.5708 -5.5708 -5.4590 -5.4590 -3.9129 -3.9129 -2.8980 -2.8980 -2.7748 -2.7748 6.1366 6.1366 6.3914 6.3914 6.9427 6.9427 7.7975 7.7975 8.0346 8.0346 9.2433 9.2433 9.2864 9.2864 9.6483 9.6483 10.5205 10.5205 12.3777 12.3777 12.5515 12.5515 12.8508 12.8508 14.4451 14.4451 17.2265 17.2265 18.5826 18.5826 k = 0.2807 0.2807-0.0000 ( 4935 PWs) bands (ev): -59.9583 -59.9583 -32.5469 -32.5469 -29.3822 -29.3822 -29.3701 -29.3701 -21.3413 -21.3413 -6.3177 -6.3177 -5.5741 -5.5741 -5.4667 -5.4667 -3.9204 -3.9204 -2.9030 -2.9030 -2.7781 -2.7781 6.2153 6.2153 6.4568 6.4568 7.0310 7.0310 7.8167 7.8167 8.0783 8.0783 9.2629 9.2629 9.2887 9.2887 9.6558 9.6558 10.4870 10.4870 12.3201 12.3201 12.4978 12.4978 12.7904 12.7904 14.4148 14.4148 17.0900 17.0900 18.5172 18.5172 k = 0.2719 0.2719-0.0000 ( 4935 PWs) bands (ev): -59.9583 -59.9583 -32.5466 -32.5466 -29.3814 -29.3814 -29.3699 -29.3699 -21.3424 -21.3424 -6.3303 -6.3303 -5.5775 -5.5775 -5.4751 -5.4751 -3.9280 -3.9280 -2.9080 -2.9080 -2.7818 -2.7818 6.2956 6.2956 6.5233 6.5233 7.1219 7.1219 7.8358 7.8358 8.1237 8.1237 9.2814 9.2814 9.2965 9.2965 9.6640 9.6640 10.4540 10.4540 12.2616 12.2616 12.4424 12.4424 12.7287 12.7287 14.3832 14.3832 16.9511 16.9511 18.4505 18.4505 k = 0.2632 0.2632-0.0000 ( 4939 PWs) bands (ev): -59.9583 -59.9583 -32.5464 -32.5464 -29.3807 -29.3807 -29.3698 -29.3698 -21.3435 -21.3435 -6.3422 -6.3422 -5.5809 -5.5809 -5.4840 -5.4840 -3.9358 -3.9358 -2.9130 -2.9130 -2.7862 -2.7862 6.3772 6.3772 6.5911 6.5911 7.2151 7.2151 7.8548 7.8548 8.1706 8.1706 9.2951 9.2951 9.3134 9.3134 9.6728 9.6728 10.4215 10.4215 12.2022 12.2022 12.3855 12.3855 12.6656 12.6656 14.3502 14.3502 16.8101 16.8101 18.3825 18.3825 k = 0.2544 0.2544-0.0000 ( 4943 PWs) bands (ev): -59.9583 -59.9583 -32.5461 -32.5461 -29.3799 -29.3799 -29.3696 -29.3696 -21.3446 -21.3446 -6.3533 -6.3533 -5.5844 -5.5844 -5.4933 -5.4933 -3.9437 -3.9437 -2.9180 -2.9180 -2.7910 -2.7910 6.4598 6.4598 6.6600 6.6600 7.3104 7.3104 7.8736 7.8736 8.2191 8.2191 9.3080 9.3080 9.3357 9.3357 9.6825 9.6825 10.3897 10.3897 12.1422 12.1422 12.3269 12.3269 12.6013 12.6013 14.3159 14.3159 16.6673 16.6673 18.3134 18.3134 k = 0.2456 0.2456-0.0000 ( 4943 PWs) bands (ev): -59.9584 -59.9584 -32.5458 -32.5458 -29.3792 -29.3792 -29.3694 -29.3694 -21.3457 -21.3457 -6.3636 -6.3636 -5.5879 -5.5879 -5.5030 -5.5030 -3.9518 -3.9518 -2.9229 -2.9229 -2.7964 -2.7964 6.5431 6.5431 6.7300 6.7300 7.4074 7.4074 7.8921 7.8921 8.2691 8.2691 9.3233 9.3233 9.3602 9.3602 9.6930 9.6930 10.3588 10.3588 12.0815 12.0815 12.2669 12.2669 12.5358 12.5358 14.2802 14.2802 16.5228 16.5228 18.2434 18.2434 k = 0.2368 0.2368-0.0000 ( 4939 PWs) bands (ev): -59.9584 -59.9584 -32.5455 -32.5455 -29.3784 -29.3784 -29.3692 -29.3692 -21.3468 -21.3468 -6.3732 -6.3732 -5.5914 -5.5914 -5.5128 -5.5128 -3.9599 -3.9599 -2.9277 -2.9277 -2.8024 -2.8024 6.6269 6.6269 6.8012 6.8012 7.5061 7.5061 7.9103 7.9103 8.3206 8.3206 9.3420 9.3420 9.3860 9.3860 9.7044 9.7044 10.3289 10.3289 12.0204 12.0204 12.2054 12.2054 12.4692 12.4692 14.2434 14.2434 16.3770 16.3770 18.1726 18.1726 k = 0.2281 0.2281-0.0000 ( 4931 PWs) bands (ev): -59.9584 -59.9584 -32.5452 -32.5452 -29.3777 -29.3777 -29.3689 -29.3689 -21.3480 -21.3480 -6.3822 -6.3822 -5.5949 -5.5949 -5.5227 -5.5227 -3.9681 -3.9681 -2.9325 -2.9325 -2.8090 -2.8090 6.7107 6.7107 6.8734 6.8734 7.6061 7.6061 7.9282 7.9282 8.3736 8.3736 9.3641 9.3641 9.4131 9.4131 9.7168 9.7168 10.3002 10.3002 11.9588 11.9588 12.1425 12.1425 12.4015 12.4015 14.2052 14.2052 16.2300 16.2300 18.1012 18.1012 k = 0.2193 0.2193-0.0000 ( 4935 PWs) bands (ev): -59.9584 -59.9584 -32.5449 -32.5449 -29.3769 -29.3769 -29.3687 -29.3687 -21.3491 -21.3491 -6.3904 -6.3904 -5.5984 -5.5984 -5.5326 -5.5326 -3.9765 -3.9765 -2.9371 -2.9371 -2.8161 -2.8161 6.7941 6.7941 6.9468 6.9468 7.7073 7.7073 7.9456 7.9456 8.4281 8.4281 9.3898 9.3898 9.4414 9.4414 9.7303 9.7303 10.2728 10.2728 11.8970 11.8970 12.0782 12.0782 12.3328 12.3328 14.1659 14.1659 16.0821 16.0821 18.0292 18.0292 k = 0.2105 0.2105-0.0000 ( 4947 PWs) bands (ev): -59.9584 -59.9584 -32.5446 -32.5446 -29.3762 -29.3762 -29.3686 -29.3686 -21.3502 -21.3502 -6.3980 -6.3980 -5.6018 -5.6018 -5.5425 -5.5425 -3.9849 -3.9849 -2.9417 -2.9417 -2.8238 -2.8238 6.8768 6.8768 7.0211 7.0211 7.8094 7.8094 7.9627 7.9627 8.4839 8.4839 9.4190 9.4190 9.4708 9.4708 9.7449 9.7449 10.2467 10.2467 11.8350 11.8350 12.0127 12.0127 12.2632 12.2632 14.1255 14.1255 15.9336 15.9336 17.9571 17.9571 k = 0.2018 0.2018-0.0000 ( 4951 PWs) bands (ev): -59.9585 -59.9585 -32.5444 -32.5444 -29.3755 -29.3755 -29.3684 -29.3684 -21.3513 -21.3513 -6.4050 -6.4050 -5.6053 -5.6053 -5.5521 -5.5521 -3.9935 -3.9935 -2.9461 -2.9461 -2.8319 -2.8319 6.9583 6.9583 7.0964 7.0964 7.9120 7.9120 7.9794 7.9794 8.5412 8.5412 9.4517 9.4517 9.5012 9.5012 9.7608 9.7608 10.2223 10.2223 11.7728 11.7728 11.9460 11.9460 12.1925 12.1925 14.0840 14.0840 15.7847 15.7847 17.8848 17.8848 k = 0.1930 0.1930-0.0000 ( 4943 PWs) bands (ev): -59.9585 -59.9585 -32.5441 -32.5441 -29.3748 -29.3748 -29.3682 -29.3682 -21.3525 -21.3525 -6.4115 -6.4115 -5.6086 -5.6086 -5.5614 -5.5614 -4.0020 -4.0020 -2.9504 -2.9504 -2.8406 -2.8406 7.0382 7.0382 7.1725 7.1725 7.9941 7.9941 8.0166 8.0166 8.5998 8.5998 9.4877 9.4877 9.5328 9.5328 9.7780 9.7780 10.1996 10.1996 11.7106 11.7106 11.8781 11.8781 12.1210 12.1210 14.0415 14.0415 15.6357 15.6357 17.8127 17.8127 k = 0.1842 0.1842-0.0000 ( 4939 PWs) bands (ev): -59.9585 -59.9585 -32.5438 -32.5438 -29.3741 -29.3741 -29.3680 -29.3680 -21.3535 -21.3535 -6.4174 -6.4174 -5.6120 -5.6120 -5.5703 -5.5703 -4.0107 -4.0107 -2.9546 -2.9546 -2.8496 -2.8496 7.1163 7.1163 7.2491 7.2491 8.0105 8.0105 8.1195 8.1195 8.6596 8.6596 9.5271 9.5271 9.5654 9.5654 9.7966 9.7966 10.1787 10.1787 11.6485 11.6485 11.8091 11.8091 12.0485 12.0485 13.9981 13.9981 15.4868 15.4868 17.7409 17.7409 k = 0.1754 0.1754-0.0000 ( 4939 PWs) bands (ev): -59.9585 -59.9585 -32.5435 -32.5435 -29.3734 -29.3734 -29.3678 -29.3678 -21.3546 -21.3546 -6.4228 -6.4228 -5.6152 -5.6152 -5.5788 -5.5788 -4.0193 -4.0193 -2.9586 -2.9586 -2.8590 -2.8590 7.1924 7.1924 7.3258 7.3258 8.0257 8.0257 8.2231 8.2231 8.7208 8.7208 9.5694 9.5694 9.5990 9.5990 9.8166 9.8166 10.1599 10.1599 11.5863 11.5863 11.7392 11.7392 11.9752 11.9752 13.9538 13.9538 15.3383 15.3383 17.6698 17.6698 k = 0.1667 0.1667-0.0000 ( 4921 PWs) bands (ev): -59.9585 -59.9585 -32.5432 -32.5432 -29.3727 -29.3727 -29.3676 -29.3676 -21.3557 -21.3557 -6.4278 -6.4278 -5.6184 -5.6184 -5.5868 -5.5868 -4.0279 -4.0279 -2.9624 -2.9624 -2.8686 -2.8686 7.2661 7.2661 7.4022 7.4022 8.0403 8.0403 8.3268 8.3268 8.7831 8.7831 9.6147 9.6147 9.6336 9.6336 9.8381 9.8381 10.1434 10.1434 11.5244 11.5244 11.6684 11.6684 11.9011 11.9011 13.9089 13.9089 15.1907 15.1907 17.5996 17.5996 k = 0.1579 0.1579-0.0000 ( 4931 PWs) bands (ev): -59.9586 -59.9586 -32.5430 -32.5430 -29.3720 -29.3720 -29.3675 -29.3675 -21.3567 -21.3567 -6.4324 -6.4324 -5.6215 -5.6215 -5.5943 -5.5943 -4.0366 -4.0366 -2.9661 -2.9661 -2.8785 -2.8785 7.3375 7.3375 7.4776 7.4776 8.0544 8.0544 8.4302 8.4302 8.8467 8.8467 9.6624 9.6624 9.6693 9.6693 9.8607 9.8607 10.1296 10.1296 11.4626 11.4626 11.5967 11.5967 11.8262 11.8262 13.8634 13.8634 15.0440 15.0440 17.5305 17.5305 k = 0.1491 0.1491-0.0000 ( 4933 PWs) bands (ev): -59.9586 -59.9586 -32.5428 -32.5428 -29.3714 -29.3714 -29.3673 -29.3673 -21.3577 -21.3577 -6.4366 -6.4366 -5.6244 -5.6244 -5.6012 -5.6012 -4.0451 -4.0451 -2.9696 -2.9696 -2.8885 -2.8885 7.4064 7.4064 7.5515 7.5515 8.0681 8.0681 8.5332 8.5332 8.9113 8.9113 9.7053 9.7053 9.7129 9.7129 9.8843 9.8843 10.1190 10.1190 11.4009 11.4009 11.5244 11.5244 11.7505 11.7505 13.8176 13.8176 14.8988 14.8988 17.4628 17.4628 k = 0.1404 0.1404-0.0000 ( 4929 PWs) bands (ev): -59.9586 -59.9586 -32.5425 -32.5425 -29.3708 -29.3708 -29.3671 -29.3671 -21.3586 -21.3586 -6.4405 -6.4405 -5.6273 -5.6273 -5.6075 -5.6075 -4.0535 -4.0535 -2.9730 -2.9730 -2.8985 -2.8985 7.4726 7.4726 7.6234 7.6234 8.0813 8.0813 8.6358 8.6358 8.9770 8.9770 9.7428 9.7428 9.7648 9.7648 9.9080 9.9080 10.1124 10.1124 11.3394 11.3394 11.4515 11.4515 11.6741 11.6741 13.7715 13.7715 14.7554 14.7554 17.3969 17.3969 k = 0.1316 0.1316-0.0000 ( 4933 PWs) bands (ev): -59.9586 -59.9586 -32.5423 -32.5423 -29.3703 -29.3703 -29.3670 -29.3670 -21.3596 -21.3596 -6.4441 -6.4441 -5.6300 -5.6300 -5.6132 -5.6132 -4.0618 -4.0618 -2.9761 -2.9761 -2.9085 -2.9085 7.5359 7.5359 7.6926 7.6926 8.0942 8.0942 8.7376 8.7376 9.0438 9.0438 9.7810 9.7810 9.8182 9.8182 9.9306 9.9306 10.1112 10.1112 11.2781 11.2781 11.3783 11.3783 11.5970 11.5970 13.7255 13.7255 14.6142 14.6142 17.3329 17.3329 k = 0.1228 0.1228-0.0000 ( 4933 PWs) bands (ev): -59.9586 -59.9586 -32.5421 -32.5421 -29.3697 -29.3697 -29.3668 -29.3668 -21.3604 -21.3604 -6.4474 -6.4474 -5.6325 -5.6325 -5.6184 -5.6184 -4.0700 -4.0700 -2.9791 -2.9791 -2.9184 -2.9184 7.5961 7.5961 7.7588 7.7588 8.1067 8.1067 8.8387 8.8387 9.1114 9.1114 9.8200 9.8200 9.8727 9.8727 9.9502 9.9502 10.1173 10.1173 11.2168 11.2168 11.3048 11.3048 11.5194 11.5194 13.6796 13.6796 14.4757 14.4757 17.2713 17.2713 k = 0.1140 0.1140-0.0000 ( 4925 PWs) bands (ev): -59.9586 -59.9586 -32.5419 -32.5419 -29.3692 -29.3692 -29.3667 -29.3667 -21.3613 -21.3613 -6.4504 -6.4504 -5.6349 -5.6349 -5.6229 -5.6229 -4.0778 -4.0778 -2.9818 -2.9818 -2.9280 -2.9280 7.6529 7.6529 7.8214 7.8214 8.1188 8.1188 8.9389 8.9389 9.1800 9.1800 9.8598 9.8598 9.9273 9.9273 9.9652 9.9652 10.1324 10.1324 11.1552 11.1552 11.2316 11.2316 11.4412 11.4412 13.6343 13.6343 14.3404 14.3404 17.2123 17.2123 k = 0.1053 0.1053-0.0000 ( 4929 PWs) bands (ev): -59.9586 -59.9586 -32.5417 -32.5417 -29.3687 -29.3687 -29.3666 -29.3666 -21.3621 -21.3621 -6.4532 -6.4532 -5.6370 -5.6370 -5.6270 -5.6270 -4.0855 -4.0855 -2.9844 -2.9844 -2.9374 -2.9374 7.7060 7.7060 7.8802 7.8802 8.1308 8.1308 9.0380 9.0380 9.2494 9.2494 9.9002 9.9002 9.9706 9.9706 9.9862 9.9862 10.1566 10.1566 11.0931 11.0931 11.1590 11.1590 11.3626 11.3626 13.5898 13.5898 14.2089 14.2089 17.1561 17.1561 k = 0.0965 0.0965-0.0000 ( 4915 PWs) bands (ev): -59.9587 -59.9587 -32.5415 -32.5415 -29.3682 -29.3682 -29.3664 -29.3664 -21.3628 -21.3628 -6.4557 -6.4557 -5.6390 -5.6390 -5.6305 -5.6305 -4.0927 -4.0927 -2.9868 -2.9868 -2.9463 -2.9463 7.7550 7.7550 7.9349 7.9349 8.1425 8.1425 9.1361 9.1361 9.3194 9.3194 9.9411 9.9411 9.9777 9.9777 10.0384 10.0384 10.1886 10.1886 11.0298 11.0298 11.0879 11.0879 11.2839 11.2839 13.5464 13.5464 14.0818 14.0818 17.1030 17.1030 k = 0.0877 0.0877-0.0000 ( 4923 PWs) bands (ev): -59.9587 -59.9587 -32.5414 -32.5414 -29.3678 -29.3678 -29.3663 -29.3663 -21.3635 -21.3635 -6.4581 -6.4581 -5.6406 -5.6406 -5.6336 -5.6336 -4.0996 -4.0996 -2.9890 -2.9890 -2.9548 -2.9548 7.7998 7.7998 7.9853 7.9853 8.1540 8.1540 9.2328 9.2328 9.3901 9.3901 9.9767 9.9767 9.9860 9.9860 10.0914 10.0914 10.2260 10.2260 10.9644 10.9644 11.0193 11.0193 11.2051 11.2051 13.5045 13.5045 13.9600 13.9600 17.0525 17.0525 k = 0.0789 0.0789-0.0000 ( 4927 PWs) bands (ev): -59.9587 -59.9587 -32.5412 -32.5412 -29.3674 -29.3674 -29.3662 -29.3662 -21.3641 -21.3641 -6.4602 -6.4602 -5.6421 -5.6421 -5.6363 -5.6363 -4.1061 -4.1061 -2.9910 -2.9910 -2.9628 -2.9628 7.8399 7.8399 8.0311 8.0311 8.1654 8.1654 9.3280 9.3280 9.4611 9.4611 9.9794 9.9794 10.0258 10.0258 10.1426 10.1426 10.2670 10.2670 10.8966 10.8966 10.9537 10.9537 11.1266 11.1266 13.4646 13.4646 13.8442 13.8442 17.0056 17.0056 k = 0.0702 0.0702-0.0000 ( 4931 PWs) bands (ev): -59.9587 -59.9587 -32.5411 -32.5411 -29.3671 -29.3671 -29.3661 -29.3661 -21.3647 -21.3647 -6.4621 -6.4621 -5.6433 -5.6433 -5.6386 -5.6386 -4.1121 -4.1121 -2.9927 -2.9927 -2.9701 -2.9701 7.8752 7.8752 8.0724 8.0724 8.1765 8.1765 9.4215 9.4215 9.5324 9.5324 9.9793 9.9793 10.0681 10.0681 10.1912 10.1912 10.3096 10.3096 10.8268 10.8268 10.8910 10.8910 11.0488 11.0488 13.4270 13.4270 13.7355 13.7355 16.9634 16.9634 k = 0.0614 0.0614-0.0000 ( 4931 PWs) bands (ev): -59.9587 -59.9587 -32.5410 -32.5410 -29.3668 -29.3668 -29.3661 -29.3661 -21.3652 -21.3652 -6.4637 -6.4637 -5.6443 -5.6443 -5.6406 -5.6406 -4.1175 -4.1175 -2.9943 -2.9943 -2.9767 -2.9767 7.9057 7.9057 8.1091 8.1091 8.1873 8.1873 9.5130 9.5130 9.6037 9.6037 9.9787 9.9787 10.1106 10.1106 10.2364 10.2364 10.3522 10.3522 10.7560 10.7560 10.8305 10.8305 10.9724 10.9724 13.3923 13.3923 13.6349 13.6349 16.9258 16.9258 k = 0.0526 0.0526-0.0000 ( 4933 PWs) bands (ev): -59.9587 -59.9587 -32.5409 -32.5409 -29.3665 -29.3665 -29.3660 -29.3660 -21.3656 -21.3656 -6.4652 -6.4652 -5.6451 -5.6451 -5.6422 -5.6422 -4.1223 -4.1223 -2.9957 -2.9957 -2.9826 -2.9826 7.9314 7.9314 8.1411 8.1411 8.1974 8.1974 9.6019 9.6019 9.6745 9.6745 9.9780 9.9780 10.1527 10.1527 10.2772 10.2772 10.3932 10.3932 10.6858 10.6858 10.7717 10.7717 10.8980 10.8980 13.3609 13.3609 13.5437 13.5437 16.8931 16.8931 k = 0.0439 0.0439-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5409 -32.5409 -29.3663 -29.3663 -29.3660 -29.3660 -21.3660 -21.3660 -6.4665 -6.4665 -5.6456 -5.6456 -5.6436 -5.6436 -4.1265 -4.1265 -2.9968 -2.9968 -2.9876 -2.9876 7.9525 7.9525 8.1683 8.1683 8.2067 8.2067 9.6874 9.6874 9.7441 9.7441 9.9773 9.9773 10.1939 10.1939 10.3126 10.3126 10.4306 10.4306 10.6182 10.6182 10.7145 10.7145 10.8267 10.8267 13.3332 13.3332 13.4632 13.4632 16.8653 16.8653 k = 0.0351 0.0351-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5408 -32.5408 -29.3662 -29.3662 -29.3659 -29.3659 -21.3663 -21.3663 -6.4675 -6.4675 -5.6461 -5.6461 -5.6448 -5.6448 -4.1299 -4.1299 -2.9978 -2.9978 -2.9918 -2.9918 7.9691 7.9691 8.1907 8.1907 8.2149 8.2149 9.7683 9.7683 9.8113 9.8113 9.9768 9.9768 10.2327 10.2327 10.3405 10.3405 10.4619 10.4619 10.5568 10.5568 10.6604 10.6604 10.7596 10.7596 13.3099 13.3099 13.3948 13.3948 16.8425 16.8426 k = 0.0263 0.0263-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3660 -29.3660 -29.3659 -29.3659 -21.3666 -21.3666 -6.4683 -6.4683 -5.6464 -5.6464 -5.6456 -5.6456 -4.1327 -4.1327 -2.9985 -2.9985 -2.9951 -2.9951 7.9817 7.9817 8.2082 8.2082 8.2217 8.2217 9.8425 9.8425 9.8738 9.8738 9.9766 9.9766 10.2671 10.2671 10.3552 10.3552 10.4823 10.4823 10.5113 10.5113 10.6134 10.6134 10.6976 10.6976 13.2912 13.2912 13.3398 13.3398 16.8247 16.8248 k = 0.0175 0.0175-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3659 -29.3659 -29.3658 -29.3658 -21.3667 -21.3667 -6.4689 -6.4689 -5.6466 -5.6466 -5.6462 -5.6462 -4.1347 -4.1347 -2.9990 -2.9990 -2.9975 -2.9975 7.9904 7.9904 8.2208 8.2208 8.2267 8.2267 9.9063 9.9063 9.9272 9.9272 9.9769 9.9769 10.2935 10.2935 10.3475 10.3475 10.4842 10.4842 10.4980 10.4980 10.5825 10.5825 10.6420 10.6420 13.2775 13.2775 13.2994 13.2994 16.8119 16.8122 k = 0.0088 0.0088-0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3658 -29.3658 -29.3658 -29.3658 -21.3668 -21.3668 -6.4692 -6.4692 -5.6467 -5.6467 -5.6466 -5.6466 -4.1359 -4.1359 -2.9994 -2.9994 -2.9990 -2.9990 7.9956 7.9956 8.2283 8.2283 8.2298 8.2298 9.9525 9.9525 9.9624 9.9624 9.9799 9.9799 10.3089 10.3089 10.3251 10.3251 10.4869 10.4869 10.4985 10.4985 10.5723 10.5723 10.5953 10.5953 13.2692 13.2692 13.2748 13.2748 16.8042 16.8043 k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3658 -29.3658 -29.3658 -29.3658 -21.3669 -21.3669 -6.4694 -6.4694 -5.6467 -5.6467 -5.6467 -5.6467 -4.1363 -4.1363 -2.9995 -2.9995 -2.9995 -2.9995 7.9972 7.9972 8.2309 8.2309 8.2309 8.2309 9.9702 9.9702 9.9702 9.9702 9.9863 9.9863 10.3135 10.3135 10.3135 10.3135 10.4822 10.4822 10.5114 10.5114 10.5713 10.5713 10.5713 10.5713 13.2665 13.2665 13.2665 13.2665 16.8017 16.8017 k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3658 -29.3658 -29.3658 -29.3658 -21.3669 -21.3669 -6.4694 -6.4694 -5.6467 -5.6467 -5.6467 -5.6467 -4.1363 -4.1363 -2.9995 -2.9995 -2.9995 -2.9995 7.9972 7.9972 8.2309 8.2309 8.2309 8.2309 9.9702 9.9702 9.9702 9.9702 9.9863 9.9863 10.3135 10.3135 10.3135 10.3135 10.4822 10.4822 10.5114 10.5114 10.5713 10.5713 10.5713 10.5713 13.2665 13.2665 13.2665 13.2665 16.8017 16.8017 k = 0.0071 0.0071 0.0071 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3658 -29.3658 -29.3658 -29.3658 -21.3668 -21.3668 -6.4692 -6.4692 -5.6467 -5.6467 -5.6466 -5.6466 -4.1359 -4.1359 -2.9993 -2.9993 -2.9990 -2.9990 7.9956 7.9956 8.2289 8.2289 8.2293 8.2293 9.9525 9.9525 9.9624 9.9624 9.9802 9.9802 10.3073 10.3073 10.3265 10.3265 10.4859 10.4859 10.5000 10.5000 10.5724 10.5724 10.5947 10.5947 13.2719 13.2719 13.2720 13.2720 16.8043 16.8043 k = 0.0143 0.0143 0.0143 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3659 -29.3659 -29.3659 -29.3659 -21.3667 -21.3667 -6.4689 -6.4689 -5.6466 -5.6466 -5.6462 -5.6462 -4.1347 -4.1347 -2.9990 -2.9990 -2.9976 -2.9976 7.9905 7.9905 8.2229 8.2229 8.2246 8.2246 9.9066 9.9066 9.9264 9.9264 9.9787 9.9787 10.2852 10.2852 10.3564 10.3564 10.4703 10.4703 10.5178 10.5178 10.5778 10.5778 10.6391 10.6391 13.2882 13.2882 13.2887 13.2887 16.8120 16.8121 k = 0.0214 0.0214 0.0214 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5407 -32.5407 -29.3659 -29.3659 -29.3659 -29.3659 -21.3666 -21.3666 -6.4683 -6.4683 -5.6464 -5.6464 -5.6456 -5.6456 -4.1327 -4.1327 -2.9984 -2.9984 -2.9953 -2.9953 7.9821 7.9821 8.2129 8.2129 8.2168 8.2168 9.8442 9.8442 9.8713 9.8713 9.9807 9.9807 10.2465 10.2465 10.3855 10.3855 10.4490 10.4490 10.5588 10.5588 10.5937 10.5937 10.6901 10.6901 13.3150 13.3150 13.3160 13.3160 16.8250 16.8250 k = 0.0286 0.0286 0.0286 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5408 -32.5408 -29.3660 -29.3660 -29.3660 -29.3660 -21.3663 -21.3663 -6.4674 -6.4674 -5.6462 -5.6462 -5.6447 -5.6447 -4.1300 -4.1300 -2.9976 -2.9976 -2.9921 -2.9921 7.9703 7.9703 8.1990 8.1990 8.2058 8.2058 9.7730 9.7730 9.8057 9.8057 9.9842 9.9842 10.1964 10.1964 10.4000 10.4000 10.4262 10.4262 10.6105 10.6105 10.6270 10.6270 10.7445 10.7445 13.3518 13.3518 13.3536 13.3536 16.8430 16.8431 k = 0.0357 0.0357 0.0357 ( 4945 PWs) bands (ev): -59.9587 -59.9587 -32.5409 -32.5409 -29.3661 -29.3661 -29.3661 -29.3661 -21.3660 -21.3660 -6.4663 -6.4663 -5.6459 -5.6459 -5.6436 -5.6436 -4.1265 -4.1265 -2.9966 -2.9966 -2.9880 -2.9880 7.9551 7.9551 8.1813 8.1813 8.1917 8.1917 9.6967 9.6967 9.7337 9.7337 9.9887 9.9887 10.1393 10.1393 10.3970 10.3970 10.4009 10.4009 10.6674 10.6674 10.6772 10.6772 10.8019 10.8019 13.3981 13.3981 13.4009 13.4009 16.8659 16.8660 k = 0.0429 0.0429 0.0429 ( 4933 PWs) bands (ev): -59.9587 -59.9587 -32.5409 -32.5409 -29.3663 -29.3663 -29.3662 -29.3662 -21.3656 -21.3656 -6.4649 -6.4649 -5.6455 -5.6455 -5.6422 -5.6422 -4.1223 -4.1223 -2.9954 -2.9954 -2.9830 -2.9830 7.9365 7.9365 8.1599 8.1599 8.1743 8.1743 9.6173 9.6173 9.6577 9.6577 9.9944 9.9944 10.0776 10.0776 10.3730 10.3730 10.3816 10.3816 10.7260 10.7260 10.7385 10.7385 10.8618 10.8618 13.4531 13.4531 13.4570 13.4570 16.8938 16.8938 k = 0.0500 0.0500 0.0500 ( 4930 PWs) bands (ev): -59.9587 -59.9587 -32.5410 -32.5410 -29.3664 -29.3664 -29.3664 -29.3664 -21.3652 -21.3652 -6.4631 -6.4631 -5.6450 -5.6450 -5.6405 -5.6405 -4.1175 -4.1175 -2.9940 -2.9940 -2.9772 -2.9772 7.9145 7.9145 8.1348 8.1348 8.1536 8.1536 9.5359 9.5359 9.5790 9.5790 10.0005 10.0005 10.0128 10.0128 10.3428 10.3428 10.3585 10.3585 10.7846 10.7846 10.8056 10.8056 10.9244 10.9244 13.5163 13.5163 13.5213 13.5213 16.9264 16.9264 k = 0.0571 0.0571 0.0571 ( 4930 PWs) bands (ev): -59.9587 -59.9587 -32.5411 -32.5411 -29.3666 -29.3666 -29.3666 -29.3666 -21.3647 -21.3647 -6.4610 -6.4610 -5.6444 -5.6444 -5.6385 -5.6385 -4.1121 -4.1121 -2.9924 -2.9924 -2.9707 -2.9707 7.8891 7.8891 8.1062 8.1062 8.1297 8.1297 9.4532 9.4532 9.4985 9.4985 9.9437 9.9437 10.0091 10.0091 10.3109 10.3109 10.3309 10.3309 10.8425 10.8425 10.8758 10.8758 10.9893 10.9893 13.5867 13.5867 13.5929 13.5929 16.9636 16.9636 k = 0.0643 0.0643 0.0643 ( 4930 PWs) bands (ev): -59.9587 -59.9587 -32.5412 -32.5412 -29.3668 -29.3668 -29.3668 -29.3668 -21.3641 -21.3641 -6.4585 -6.4585 -5.6436 -5.6436 -5.6363 -5.6363 -4.1061 -4.1061 -2.9908 -2.9908 -2.9634 -2.9634 7.8603 7.8603 8.0742 8.0742 8.1025 8.1025 9.3695 9.3695 9.4166 9.4166 9.8730 9.8730 10.0177 10.0177 10.2781 10.2781 10.3007 10.3007 10.8995 10.8995 10.9474 10.9474 11.0561 11.0561 13.6637 13.6637 13.6712 13.6712 17.0052 17.0052 k = 0.0714 0.0714 0.0714 ( 4924 PWs) bands (ev): -59.9587 -59.9587 -32.5414 -32.5414 -29.3671 -29.3671 -29.3671 -29.3671 -21.3635 -21.3635 -6.4556 -6.4556 -5.6428 -5.6428 -5.6338 -5.6338 -4.0997 -4.0997 -2.9890 -2.9890 -2.9554 -2.9554 7.8282 7.8282 8.0389 8.0389 8.0720 8.0720 9.2852 9.2852 9.3338 9.3338 9.7999 9.7999 10.0274 10.0274 10.2449 10.2449 10.2692 10.2692 10.9557 10.9557 11.0198 11.0198 11.1245 11.1245 13.7467 13.7467 13.7555 13.7555 17.0511 17.0511 k = 0.0786 0.0786 0.0786 ( 4936 PWs) bands (ev): -59.9587 -59.9587 -32.5416 -32.5416 -29.3674 -29.3674 -29.3673 -29.3673 -21.3628 -21.3628 -6.4522 -6.4522 -5.6417 -5.6417 -5.6310 -5.6310 -4.0928 -4.0928 -2.9871 -2.9871 -2.9469 -2.9469 7.7930 7.7930 8.0005 8.0005 8.0382 8.0382 9.2005 9.2005 9.2503 9.2503 9.7248 9.7248 10.0381 10.0381 10.2122 10.2122 10.2375 10.2375 11.0116 11.0116 11.0923 11.0923 11.1939 11.1939 13.8349 13.8349 13.8449 13.8449 17.1011 17.1011 k = 0.0857 0.0857 0.0857 ( 4930 PWs) bands (ev): -59.9586 -59.9586 -32.5417 -32.5417 -29.3677 -29.3677 -29.3676 -29.3676 -21.3620 -21.3620 -6.4482 -6.4482 -5.6405 -5.6405 -5.6279 -5.6279 -4.0855 -4.0855 -2.9852 -2.9852 -2.9377 -2.9377 7.7546 7.7546 7.9592 7.9592 8.0011 8.0011 9.1156 9.1156 9.1665 9.1665 9.6477 9.6477 10.0498 10.0498 10.1803 10.1803 10.2064 10.2064 11.0673 11.0673 11.1647 11.1647 11.2639 11.2639 13.9277 13.9277 13.9391 13.9391 17.1549 17.1549 k = 0.0929 0.0929 0.0929 ( 4935 PWs) bands (ev): -59.9586 -59.9586 -32.5419 -32.5419 -29.3680 -29.3680 -29.3679 -29.3679 -21.3613 -21.3613 -6.4437 -6.4437 -5.6391 -5.6391 -5.6244 -5.6244 -4.0780 -4.0780 -2.9832 -2.9832 -2.9281 -2.9281 7.7132 7.7132 7.9151 7.9151 7.9608 7.9608 9.0308 9.0308 9.0824 9.0824 9.5689 9.5689 10.0623 10.0623 10.1498 10.1498 10.1764 10.1764 11.1232 11.1232 11.2368 11.2368 11.3342 11.3342 14.0247 14.0247 14.0373 14.0373 17.2122 17.2122 k = 0.1000 0.1000 0.1000 ( 4941 PWs) bands (ev): -59.9586 -59.9586 -32.5422 -32.5422 -29.3683 -29.3683 -29.3683 -29.3683 -21.3604 -21.3604 -6.4386 -6.4386 -5.6374 -5.6374 -5.6207 -5.6207 -4.0703 -4.0703 -2.9812 -2.9812 -2.9181 -2.9181 7.6691 7.6691 7.8682 7.8682 7.9174 7.9174 8.9461 8.9461 8.9983 8.9983 9.4886 9.4886 10.0758 10.0758 10.1213 10.1213 10.1481 10.1481 11.1794 11.1794 11.3086 11.3086 11.4046 11.4046 14.1254 14.1254 14.1392 14.1392 17.2730 17.2730 k = 0.1071 0.1071 0.1071 ( 4935 PWs) bands (ev): -59.9586 -59.9586 -32.5424 -32.5424 -29.3687 -29.3687 -29.3686 -29.3686 -21.3595 -21.3595 -6.4329 -6.4329 -5.6355 -5.6355 -5.6166 -5.6166 -4.0624 -4.0624 -2.9793 -2.9793 -2.9077 -2.9077 7.6224 7.6224 7.8190 7.8190 7.8709 7.8709 8.8617 8.8617 8.9143 8.9143 9.4067 9.4067 10.0885 10.0885 10.0964 10.0964 10.1218 10.1218 11.2363 11.2363 11.3798 11.3798 11.4750 11.4750 14.2293 14.2293 14.2442 14.2442 17.3368 17.3368 k = 0.1143 0.1143 0.1143 ( 4923 PWs) bands (ev): -59.9586 -59.9586 -32.5426 -32.5426 -29.3691 -29.3691 -29.3689 -29.3689 -21.3586 -21.3586 -6.4265 -6.4265 -5.6334 -5.6334 -5.6122 -5.6122 -4.0544 -4.0544 -2.9775 -2.9775 -2.8971 -2.8971 7.5734 7.5734 7.7673 7.7673 7.8215 7.8215 8.7779 8.7779 8.8306 8.8306 9.3236 9.3236 10.0701 10.0701 10.0980 10.0980 10.1061 10.1061 11.2938 11.2938 11.4505 11.4505 11.5452 11.5452 14.3360 14.3360 14.3520 14.3520 17.4035 17.4035 k = 0.1214 0.1214 0.1214 ( 4920 PWs) bands (ev): -59.9586 -59.9586 -32.5428 -32.5428 -29.3695 -29.3695 -29.3693 -29.3693 -21.3576 -21.3576 -6.4193 -6.4193 -5.6310 -5.6310 -5.6075 -5.6075 -4.0465 -4.0465 -2.9758 -2.9758 -2.8863 -2.8863 7.5223 7.5223 7.7135 7.7135 7.7693 7.7693 8.6947 8.6947 8.7474 8.7474 9.2393 9.2393 10.0488 10.0488 10.0767 10.0767 10.1221 10.1221 11.3522 11.3522 11.5206 11.5206 11.6150 11.6150 14.4452 14.4452 14.4622 14.4622 17.4727 17.4727 k = 0.1286 0.1286 0.1286 ( 4917 PWs) bands (ev): -59.9586 -59.9586 -32.5430 -32.5430 -29.3699 -29.3699 -29.3697 -29.3697 -21.3565 -21.3565 -6.4113 -6.4113 -5.6283 -5.6283 -5.6023 -5.6023 -4.0386 -4.0386 -2.9742 -2.9742 -2.8754 -2.8754 7.4694 7.4694 7.6577 7.6577 7.7145 7.7145 8.6123 8.6123 8.6648 8.6648 9.1540 9.1540 10.0301 10.0301 10.0581 10.0581 10.1391 10.1391 11.4114 11.4114 11.5902 11.5902 11.6845 11.6845 14.5565 14.5565 14.5745 14.5745 17.5443 17.5443 k = 0.1357 0.1357 0.1357 ( 4926 PWs) bands (ev): -59.9585 -59.9585 -32.5433 -32.5433 -29.3703 -29.3703 -29.3702 -29.3702 -21.3555 -21.3555 -6.4025 -6.4025 -5.6253 -5.6253 -5.5969 -5.5969 -4.0308 -4.0308 -2.9728 -2.9728 -2.8646 -2.8646 7.4149 7.4149 7.6001 7.6001 7.6572 7.6572 8.5308 8.5308 8.5830 8.5830 9.0678 9.0678 10.0143 10.0143 10.0424 10.0424 10.1569 10.1569 11.4714 11.4714 11.6592 11.6592 11.7537 11.7537 14.6697 14.6697 14.6886 14.6886 17.6179 17.6179 k = 0.1429 0.1429 0.1429 ( 4926 PWs) bands (ev): -59.9585 -59.9585 -32.5436 -32.5436 -29.3708 -29.3708 -29.3706 -29.3706 -21.3544 -21.3544 -6.3929 -6.3929 -5.6219 -5.6219 -5.5910 -5.5910 -4.0233 -4.0233 -2.9716 -2.9716 -2.8539 -2.8539 7.3591 7.3591 7.5409 7.5409 7.5976 7.5976 8.4505 8.4505 8.5021 8.5021 8.9809 8.9809 10.0013 10.0013 10.0295 10.0295 10.1755 10.1755 11.5323 11.5323 11.7276 11.7276 11.8224 11.8224 14.7845 14.7845 14.8042 14.8042 17.6933 17.6933 k = 0.1500 0.1500 0.1500 ( 4920 PWs) bands (ev): -59.9585 -59.9585 -32.5439 -32.5439 -29.3712 -29.3712 -29.3711 -29.3711 -21.3533 -21.3533 -6.3823 -6.3823 -5.6182 -5.6182 -5.5848 -5.5848 -4.0161 -4.0161 -2.9707 -2.9707 -2.8434 -2.8434 7.3023 7.3023 7.4803 7.4803 7.5358 7.5358 8.3714 8.3714 8.4222 8.4222 8.8933 8.8933 9.9913 9.9913 10.0196 10.0196 10.1948 10.1948 11.5941 11.5941 11.7953 11.7953 11.8906 11.8906 14.9006 14.9006 14.9211 14.9211 17.7701 17.7701 k = 0.1571 0.1571 0.1571 ( 4920 PWs) bands (ev): -59.9585 -59.9585 -32.5441 -32.5441 -29.3717 -29.3717 -29.3715 -29.3715 -21.3521 -21.3521 -6.3708 -6.3708 -5.6142 -5.6142 -5.5782 -5.5782 -4.0092 -4.0092 -2.9700 -2.9700 -2.8332 -2.8332 7.2448 7.2448 7.4184 7.4184 7.4722 7.4722 8.2938 8.2938 8.3435 8.3435 8.8052 8.8052 9.9841 9.9841 10.0125 10.0125 10.2149 10.2149 11.6567 11.6567 11.8625 11.8625 11.9584 11.9584 15.0179 15.0179 15.0391 15.0391 17.8482 17.8482 k = 0.1643 0.1643 0.1643 ( 4902 PWs) bands (ev): -59.9585 -59.9585 -32.5444 -32.5444 -29.3722 -29.3722 -29.3720 -29.3720 -21.3509 -21.3509 -6.3583 -6.3583 -5.6097 -5.6097 -5.5712 -5.5712 -4.0027 -4.0027 -2.9697 -2.9697 -2.8234 -2.8234 7.1868 7.1868 7.3556 7.3556 7.4068 7.4068 8.2177 8.2177 8.2662 8.2662 8.7167 8.7167 9.9799 9.9799 10.0082 10.0082 10.2357 10.2357 11.7201 11.7201 11.9292 11.9292 12.0258 12.0258 15.1361 15.1361 15.1579 15.1579 17.9273 17.9273 k = 0.1714 0.1714 0.1714 ( 4914 PWs) bands (ev): -59.9584 -59.9584 -32.5447 -32.5447 -29.3727 -29.3727 -29.3725 -29.3725 -21.3497 -21.3497 -6.3449 -6.3449 -5.6049 -5.6049 -5.5638 -5.5638 -3.9966 -3.9966 -2.9697 -2.9697 -2.8141 -2.8141 7.1284 7.1284 7.2920 7.2920 7.3398 7.3398 8.1432 8.1432 8.1903 8.1903 8.6279 8.6279 9.9784 9.9784 10.0066 10.0066 10.2571 10.2571 11.7843 11.7843 11.9952 11.9952 12.0926 12.0926 15.2550 15.2550 15.2774 15.2774 18.0069 18.0069 k = 0.1786 0.1786 0.1786 ( 4920 PWs) bands (ev): -59.9584 -59.9584 -32.5451 -32.5451 -29.3733 -29.3733 -29.3731 -29.3731 -21.3485 -21.3485 -6.3304 -6.3304 -5.5997 -5.5997 -5.5560 -5.5560 -3.9911 -3.9911 -2.9701 -2.9701 -2.8055 -2.8055 7.0700 7.0700 7.2280 7.2280 7.2715 7.2715 8.0705 8.0705 8.1159 8.1159 8.5390 8.5390 9.9796 9.9796 10.0078 10.0078 10.2791 10.2791 11.8490 11.8490 12.0607 12.0607 12.1590 12.1590 15.3745 15.3745 15.3973 15.3973 18.0870 18.0870 k = 0.1857 0.1857 0.1857 ( 4914 PWs) bands (ev): -59.9584 -59.9584 -32.5454 -32.5454 -29.3738 -29.3738 -29.3736 -29.3736 -21.3472 -21.3472 -6.3148 -6.3148 -5.5941 -5.5941 -5.5479 -5.5479 -3.9861 -3.9861 -2.9710 -2.9710 -2.7976 -2.7976 7.0114 7.0114 7.1639 7.1639 7.2021 7.2021 7.9997 7.9997 8.0433 8.0433 8.4501 8.4501 9.9835 9.9835 10.0116 10.0116 10.3017 10.3017 11.9144 11.9144 12.1255 12.1255 12.2249 12.2249 15.4944 15.4944 15.5176 15.5176 18.1671 18.1671 k = 0.1929 0.1929 0.1929 ( 4920 PWs) bands (ev): -59.9584 -59.9584 -32.5457 -32.5457 -29.3743 -29.3743 -29.3741 -29.3741 -21.3460 -21.3460 -6.2982 -6.2982 -5.5881 -5.5881 -5.5393 -5.5393 -3.9818 -3.9818 -2.9722 -2.9722 -2.7904 -2.7904 6.9529 6.9529 7.1001 7.1001 7.1316 7.1316 7.9307 7.9307 7.9723 7.9723 8.3612 8.3612 9.9900 9.9900 10.0179 10.0179 10.3249 10.3249 11.9802 11.9802 12.1898 12.1898 12.2903 12.2903 15.6144 15.6144 15.6379 15.6379 18.2471 18.2471 k = 0.2000 0.2000 0.2000 ( 4917 PWs) bands (ev): -59.9583 -59.9583 -32.5461 -32.5461 -29.3749 -29.3749 -29.3747 -29.3747 -21.3447 -21.3447 -6.2806 -6.2806 -5.5816 -5.5816 -5.5303 -5.5303 -3.9781 -3.9781 -2.9739 -2.9739 -2.7842 -2.7842 6.8944 6.8944 7.0369 7.0369 7.0604 7.0604 7.8638 7.8638 7.9032 7.9032 8.2725 8.2725 9.9989 9.9989 10.0267 10.0267 10.3485 10.3485 12.0465 12.0465 12.2536 12.2536 12.3552 12.3552 15.7346 15.7346 15.7583 15.7583 18.3265 18.3265 k = 0.2071 0.2071 0.2071 ( 4917 PWs) bands (ev): -59.9583 -59.9583 -32.5464 -32.5464 -29.3754 -29.3754 -29.3752 -29.3752 -21.3434 -21.3434 -6.2618 -6.2618 -5.5747 -5.5747 -5.5210 -5.5210 -3.9751 -3.9751 -2.9761 -2.9761 -2.7790 -2.7790 6.8356 6.8356 6.9750 6.9750 6.9887 6.9887 7.7988 7.7988 7.8360 7.8360 8.1842 8.1842 10.0103 10.0103 10.0378 10.0378 10.3727 10.3727 12.1130 12.1130 12.3167 12.3167 12.4195 12.4195 15.8546 15.8546 15.8785 15.8785 18.4051 18.4051 k = 0.2143 0.2143 0.2143 ( 4926 PWs) bands (ev): -59.9583 -59.9583 -32.5468 -32.5468 -29.3760 -29.3760 -29.3758 -29.3758 -21.3422 -21.3422 -6.2419 -6.2419 -5.5674 -5.5674 -5.5112 -5.5112 -3.9729 -3.9729 -2.9788 -2.9788 -2.7748 -2.7748 6.7765 6.7765 6.9148 6.9148 6.9165 6.9165 7.7360 7.7360 7.7707 7.7707 8.0962 8.0962 10.0240 10.0240 10.0512 10.0512 10.3972 10.3972 12.1797 12.1797 12.3792 12.3792 12.4834 12.4834 15.9744 15.9744 15.9983 15.9983 18.4826 18.4826 k = 0.2214 0.2214 0.2214 ( 4926 PWs) bands (ev): -59.9583 -59.9583 -32.5471 -32.5471 -29.3766 -29.3766 -29.3764 -29.3764 -21.3409 -21.3409 -6.2210 -6.2210 -5.5596 -5.5596 -5.5011 -5.5011 -3.9714 -3.9714 -2.9820 -2.9820 -2.7717 -2.7717 6.7168 6.7168 6.8441 6.8441 6.8570 6.8570 7.6752 7.6752 7.7074 7.7074 8.0088 8.0088 10.0399 10.0399 10.0668 10.0668 10.4221 10.4221 12.2464 12.2464 12.4411 12.4411 12.5466 12.5466 16.0938 16.0938 16.1177 16.1177 18.5585 18.5585 k = 0.2286 0.2286 0.2286 ( 4926 PWs) bands (ev): -59.9582 -59.9582 -32.5474 -32.5474 -29.3772 -29.3772 -29.3769 -29.3769 -21.3396 -21.3396 -6.1989 -6.1989 -5.5514 -5.5514 -5.4906 -5.4906 -3.9706 -3.9706 -2.9857 -2.9857 -2.7699 -2.7699 6.6562 6.6562 6.7717 6.7717 6.8021 6.8021 7.6165 7.6165 7.6461 7.6461 7.9220 7.9220 10.0580 10.0580 10.0844 10.0844 10.4474 10.4474 12.3132 12.3132 12.5023 12.5023 12.6093 12.6093 16.2126 16.2126 16.2365 16.2365 18.6325 18.6325 k = 0.2357 0.2357 0.2357 ( 4926 PWs) bands (ev): -59.9582 -59.9582 -32.5478 -32.5478 -29.3777 -29.3777 -29.3775 -29.3775 -21.3383 -21.3383 -6.1758 -6.1758 -5.5427 -5.5427 -5.4797 -5.4797 -3.9707 -3.9707 -2.9899 -2.9899 -2.7694 -2.7694 6.5947 6.5947 6.6994 6.6994 6.7504 6.7504 7.5599 7.5599 7.5868 7.5868 7.8361 7.8361 10.0781 10.0781 10.1041 10.1041 10.4729 10.4729 12.3798 12.3798 12.5629 12.5629 12.6713 12.6713 16.3308 16.3308 16.3545 16.3545 18.7042 18.7042 k = 0.2429 0.2429 0.2429 ( 4926 PWs) bands (ev): -59.9582 -59.9582 -32.5482 -32.5482 -29.3783 -29.3783 -29.3781 -29.3781 -21.3370 -21.3370 -6.1516 -6.1516 -5.5337 -5.5337 -5.4685 -5.4685 -3.9716 -3.9716 -2.9947 -2.9947 -2.7701 -2.7701 6.5324 6.5324 6.6275 6.6275 6.7021 6.7021 7.5053 7.5053 7.5296 7.5296 7.7510 7.7510 10.1001 10.1001 10.1258 10.1258 10.4987 10.4987 12.4461 12.4461 12.6227 12.6227 12.7328 12.7328 16.4482 16.4482 16.4716 16.4716 18.7730 18.7730 k = 0.2500 0.2500 0.2500 ( 4932 PWs) bands (ev): -59.9582 -59.9582 -32.5485 -32.5485 -29.3789 -29.3789 -29.3787 -29.3787 -21.3358 -21.3358 -6.1263 -6.1263 -5.5242 -5.5242 -5.4569 -5.4569 -3.9734 -3.9734 -3.0000 -3.0000 -2.7723 -2.7723 6.4694 6.4694 6.5560 6.5560 6.6573 6.6573 7.4529 7.4529 7.4744 7.4744 7.6671 7.6671 10.1241 10.1241 10.1492 10.1492 10.5246 10.5246 12.5120 12.5120 12.6819 12.6819 12.7935 12.7935 16.5646 16.5646 16.5877 16.5877 18.8383 18.8383 k = 0.2571 0.2571 0.2571 ( 4932 PWs) bands (ev): -59.9581 -59.9581 -32.5489 -32.5489 -29.3795 -29.3795 -29.3793 -29.3793 -21.3345 -21.3345 -6.0999 -6.0999 -5.5143 -5.5143 -5.4450 -5.4450 -3.9760 -3.9760 -3.0059 -3.0059 -2.7758 -2.7758 6.4060 6.4060 6.4851 6.4851 6.6158 6.6158 7.4024 7.4024 7.4212 7.4212 7.5843 7.5843 10.1498 10.1498 10.1745 10.1745 10.5507 10.5507 12.5775 12.5775 12.7402 12.7402 12.8536 12.8536 16.6798 16.6798 16.7026 16.7026 18.8996 18.8996 k = 0.2643 0.2643 0.2643 ( 4923 PWs) bands (ev): -59.9581 -59.9581 -32.5492 -32.5492 -29.3800 -29.3800 -29.3798 -29.3798 -21.3332 -21.3332 -6.0726 -6.0726 -5.5039 -5.5039 -5.4328 -5.4328 -3.9795 -3.9795 -3.0122 -3.0122 -2.7808 -2.7808 6.3426 6.3426 6.4151 6.4151 6.5775 6.5775 7.3540 7.3540 7.3701 7.3701 7.5030 7.5030 10.1772 10.1772 10.2014 10.2014 10.5769 10.5769 12.6424 12.6424 12.7978 12.7978 12.9128 12.9128 16.7939 16.7939 16.8162 16.8162 18.9562 18.9562 k = 0.2714 0.2714 0.2714 ( 4923 PWs) bands (ev): -59.9581 -59.9581 -32.5496 -32.5496 -29.3806 -29.3806 -29.3804 -29.3804 -21.3320 -21.3320 -6.0443 -6.0443 -5.4932 -5.4932 -5.4203 -5.4203 -3.9838 -3.9838 -3.0191 -3.0191 -2.7872 -2.7872 6.2794 6.2794 6.3459 6.3459 6.5422 6.5422 7.3076 7.3076 7.3209 7.3209 7.4232 7.4232 10.2061 10.2061 10.2298 10.2298 10.6032 10.6032 12.7066 12.7066 12.8545 12.8545 12.9713 12.9713 16.9065 16.9065 16.9284 16.9284 19.0038 19.0038 k = 0.2786 0.2786 0.2786 ( 4935 PWs) bands (ev): -59.9581 -59.9581 -32.5499 -32.5499 -29.3812 -29.3812 -29.3810 -29.3810 -21.3308 -21.3308 -6.0150 -6.0150 -5.4821 -5.4821 -5.4075 -5.4075 -3.9890 -3.9890 -3.0265 -3.0265 -2.7951 -2.7951 6.2166 6.2166 6.2777 6.2777 6.5097 6.5097 7.2631 7.2631 7.2737 7.2737 7.3452 7.3452 10.2366 10.2366 10.2598 10.2598 10.6294 10.6294 12.7699 12.7699 12.9103 12.9103 13.0289 13.0289 17.0176 17.0176 17.0389 17.0389 19.0101 19.0101 k = 0.2857 0.2857 0.2857 ( 4920 PWs) bands (ev): -59.9580 -59.9580 -32.5502 -32.5502 -29.3817 -29.3817 -29.3815 -29.3815 -21.3296 -21.3296 -5.9848 -5.9848 -5.4707 -5.4707 -5.3945 -5.3945 -3.9950 -3.9950 -3.0344 -3.0344 -2.8044 -2.8044 6.1545 6.1545 6.2107 6.2107 6.4799 6.4799 7.2205 7.2205 7.2282 7.2282 7.2694 7.2694 10.2684 10.2684 10.2911 10.2911 10.6555 10.6555 12.8324 12.8324 12.9652 12.9652 13.0857 13.0857 17.1271 17.1271 17.1477 17.1477 19.0128 19.0128 k = 0.2929 0.2929 0.2929 ( 4926 PWs) bands (ev): -59.9580 -59.9580 -32.5506 -32.5506 -29.3823 -29.3823 -29.3821 -29.3821 -21.3284 -21.3284 -5.9537 -5.9537 -5.4589 -5.4589 -5.3812 -5.3812 -4.0019 -4.0019 -3.0427 -3.0427 -2.8151 -2.8151 6.0932 6.0932 6.1449 6.1449 6.4524 6.4524 7.1799 7.1799 7.1827 7.1827 7.1976 7.1976 10.3015 10.3015 10.3236 10.3236 10.6815 10.6815 12.8938 12.8938 13.0191 13.0191 13.1415 13.1415 17.2346 17.2346 17.2545 17.2545 19.0121 19.0121 k = 0.3000 0.3000 0.3000 ( 4908 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3828 -29.3828 -29.3826 -29.3826 -21.3272 -21.3272 -5.9218 -5.9218 -5.4468 -5.4468 -5.3678 -5.3678 -4.0097 -4.0097 -3.0515 -3.0515 -2.8271 -2.8271 6.0330 6.0330 6.0806 6.0806 6.4271 6.4271 7.1212 7.1212 7.1411 7.1411 7.1463 7.1463 10.3358 10.3358 10.3574 10.3574 10.7073 10.7073 12.9542 12.9542 13.0719 13.0719 13.1962 13.1962 17.3401 17.3401 17.3593 17.3593 19.0080 19.0080 k = 0.3071 0.3071 0.3071 ( 4920 PWs) bands (ev): -59.9580 -59.9580 -32.5512 -32.5512 -29.3834 -29.3834 -29.3832 -29.3832 -21.3261 -21.3261 -5.8892 -5.8892 -5.4344 -5.4344 -5.3542 -5.3542 -4.0183 -4.0183 -3.0607 -3.0607 -2.8405 -2.8405 5.9740 5.9740 6.0176 6.0176 6.4035 6.4035 7.0534 7.0534 7.1041 7.1041 7.1060 7.1060 10.3711 10.3711 10.3922 10.3922 10.7329 10.7329 13.0133 13.0133 13.1236 13.1236 13.2499 13.2499 17.4434 17.4434 17.4618 17.4618 19.0003 19.0003 k = 0.3143 0.3143 0.3143 ( 4923 PWs) bands (ev): -59.9580 -59.9580 -32.5516 -32.5516 -29.3839 -29.3839 -29.3837 -29.3837 -21.3249 -21.3249 -5.8558 -5.8558 -5.4217 -5.4217 -5.3404 -5.3404 -4.0276 -4.0276 -3.0703 -3.0703 -2.8552 -2.8552 5.9163 5.9163 5.9563 5.9563 6.3813 6.3813 6.9880 6.9880 7.0682 7.0682 7.0688 7.0688 10.4074 10.4074 10.4279 10.4279 10.7582 10.7582 13.0711 13.0711 13.1742 13.1742 13.3024 13.3024 17.5443 17.5443 17.5618 17.5618 18.9890 18.9890 k = 0.3214 0.3214 0.3214 ( 4917 PWs) bands (ev): -59.9579 -59.9579 -32.5519 -32.5519 -29.3844 -29.3844 -29.3842 -29.3842 -21.3238 -21.3238 -5.8217 -5.8217 -5.4087 -5.4087 -5.3266 -5.3266 -4.0378 -4.0378 -3.0802 -3.0802 -2.8711 -2.8711 5.8599 5.8599 5.8966 5.8966 6.3601 6.3601 6.9262 6.9262 7.0324 7.0324 7.0353 7.0353 10.4444 10.4444 10.4644 10.4644 10.7831 10.7831 13.1276 13.1276 13.2235 13.2235 13.3538 13.3538 17.6426 17.6426 17.6591 17.6591 18.9740 18.9740 k = 0.3286 0.3286 0.3286 ( 4917 PWs) bands (ev): -59.9579 -59.9579 -32.5522 -32.5522 -29.3849 -29.3849 -29.3847 -29.3847 -21.3228 -21.3228 -5.7871 -5.7871 -5.3956 -5.3956 -5.3127 -5.3127 -4.0488 -4.0488 -3.0903 -3.0903 -2.8882 -2.8882 5.8052 5.8052 5.8387 5.8387 6.3392 6.3392 6.8684 6.8684 6.9984 6.9984 7.0035 7.0035 10.4821 10.4821 10.5016 10.5016 10.8076 10.8076 13.1826 13.1826 13.2715 13.2715 13.4039 13.4039 17.7381 17.7381 17.7536 17.7536 18.9554 18.9554 k = 0.3357 0.3357 0.3357 ( 4893 PWs) bands (ev): -59.9579 -59.9579 -32.5524 -32.5524 -29.3853 -29.3853 -29.3852 -29.3852 -21.3217 -21.3217 -5.7520 -5.7520 -5.3823 -5.3823 -5.2987 -5.2987 -4.0604 -4.0604 -3.1008 -3.1008 -2.9062 -2.9062 5.7520 5.7520 5.7826 5.7826 6.3180 6.3180 6.8155 6.8155 6.9661 6.9661 6.9734 6.9734 10.5203 10.5203 10.5393 10.5393 10.8317 10.8317 13.2361 13.2361 13.3182 13.3182 13.4526 13.4526 17.8304 17.8304 17.8449 17.8449 18.9331 18.9331 k = 0.3429 0.3429 0.3429 ( 4893 PWs) bands (ev): -59.9579 -59.9579 -32.5527 -32.5527 -29.3858 -29.3858 -29.3857 -29.3857 -21.3207 -21.3207 -5.7164 -5.7164 -5.3688 -5.3688 -5.2848 -5.2848 -4.0728 -4.0728 -3.1114 -3.1114 -2.9252 -2.9252 5.7006 5.7006 5.7283 5.7283 6.2958 6.2958 6.7678 6.7678 6.9356 6.9356 6.9449 6.9449 10.5589 10.5589 10.5773 10.5773 10.8553 10.8553 13.2879 13.2879 13.3635 13.3635 13.5000 13.5000 17.9193 17.9193 17.9326 17.9326 18.9072 18.9072 k = 0.3500 0.3500 0.3500 ( 4893 PWs) bands (ev): -59.9578 -59.9578 -32.5530 -32.5530 -29.3863 -29.3863 -29.3861 -29.3861 -21.3198 -21.3198 -5.6805 -5.6805 -5.3553 -5.3553 -5.2710 -5.2710 -4.0859 -4.0859 -3.1222 -3.1222 -2.9450 -2.9450 5.6509 5.6509 5.6760 5.6760 6.2720 6.2720 6.7261 6.7261 6.9068 6.9068 6.9180 6.9180 10.5976 10.5976 10.6156 10.6156 10.8782 10.8782 13.3381 13.3381 13.4073 13.4073 13.5459 13.5459 18.0043 18.0043 18.0164 18.0164 18.8780 18.8780 k = 0.3571 0.3571 0.3571 ( 4896 PWs) bands (ev): -59.9578 -59.9578 -32.5533 -32.5533 -29.3867 -29.3867 -29.3866 -29.3866 -21.3188 -21.3188 -5.6444 -5.6444 -5.3417 -5.3417 -5.2573 -5.2573 -4.0996 -4.0996 -3.1331 -3.1331 -2.9656 -2.9656 5.6031 5.6031 5.6258 5.6258 6.2461 6.2461 6.6908 6.6908 6.8796 6.8796 6.8926 6.8926 10.6364 10.6364 10.6540 10.6540 10.9006 10.9006 13.3864 13.3864 13.4496 13.4496 13.5903 13.5903 18.0850 18.0850 18.0957 18.0957 18.8455 18.8455 k = 0.3643 0.3643 0.3643 ( 4896 PWs) bands (ev): -59.9578 -59.9578 -32.5536 -32.5536 -29.3872 -29.3872 -29.3870 -29.3870 -21.3179 -21.3179 -5.6082 -5.6082 -5.3280 -5.3280 -5.2437 -5.2437 -4.1139 -4.1139 -3.1441 -3.1441 -2.9867 -2.9867 5.5572 5.5572 5.5776 5.5776 6.2179 6.2179 6.6619 6.6619 6.8540 6.8540 6.8687 6.8687 10.6751 10.6751 10.6922 10.6922 10.9222 10.9222 13.4330 13.4330 13.4903 13.4903 13.6330 13.6330 18.1605 18.1605 18.1698 18.1698 18.8101 18.8101 k = 0.3714 0.3714 0.3714 ( 4902 PWs) bands (ev): -59.9578 -59.9578 -32.5538 -32.5538 -29.3876 -29.3876 -29.3875 -29.3875 -21.3170 -21.3170 -5.5720 -5.5720 -5.3144 -5.3144 -5.2304 -5.2304 -4.1287 -4.1287 -3.1550 -3.1550 -3.0082 -3.0082 5.5134 5.5134 5.5316 5.5316 6.1874 6.1874 6.6394 6.6394 6.8300 6.8300 6.8463 6.8463 10.7135 10.7135 10.7302 10.7302 10.9432 10.9432 13.4776 13.4776 13.5293 13.5293 13.6741 13.6741 18.2301 18.2301 18.2377 18.2377 18.7722 18.7722 k = 0.3786 0.3786 0.3786 ( 4902 PWs) bands (ev): -59.9578 -59.9578 -32.5541 -32.5541 -29.3880 -29.3880 -29.3879 -29.3879 -21.3162 -21.3162 -5.5359 -5.5359 -5.3008 -5.3008 -5.2173 -5.2173 -4.1440 -4.1440 -3.1659 -3.1659 -3.0300 -3.0300 5.4716 5.4716 5.4878 5.4878 6.1549 6.1549 6.6227 6.6227 6.8075 6.8075 6.8253 6.8253 10.7513 10.7513 10.7677 10.7677 10.9633 10.9633 13.5203 13.5203 13.5667 13.5667 13.7134 13.7134 18.2922 18.2922 18.2980 18.2980 18.7320 18.7320 k = 0.3857 0.3857 0.3857 ( 4902 PWs) bands (ev): -59.9578 -59.9578 -32.5543 -32.5543 -29.3884 -29.3884 -29.3883 -29.3883 -21.3154 -21.3154 -5.5001 -5.5001 -5.2873 -5.2873 -5.2046 -5.2046 -4.1598 -4.1598 -3.1766 -3.1766 -3.0519 -3.0519 5.4319 5.4319 5.4462 5.4462 6.1212 6.1212 6.6111 6.6111 6.7866 6.7866 6.8057 6.8057 10.7885 10.7885 10.8045 10.8045 10.9826 10.9826 13.5609 13.5609 13.6022 13.6022 13.7510 13.7510 18.3449 18.3449 18.3486 18.3486 18.6902 18.6902 k = 0.3929 0.3929 0.3929 ( 4896 PWs) bands (ev): -59.9577 -59.9577 -32.5545 -32.5545 -29.3887 -29.3887 -29.3886 -29.3886 -21.3146 -21.3146 -5.4648 -5.4648 -5.2740 -5.2740 -5.1922 -5.1922 -4.1759 -4.1759 -3.1871 -3.1871 -3.0738 -3.0738 5.3944 5.3944 5.4069 5.4069 6.0868 6.0868 6.6038 6.6038 6.7672 6.7672 6.7875 6.7875 10.8248 10.8248 10.8404 10.8404 11.0010 11.0010 13.5994 13.5994 13.6359 13.6359 13.7867 13.7867 18.3857 18.3857 18.3870 18.3870 18.6471 18.6471 k = 0.4000 0.4000 0.4000 ( 4890 PWs) bands (ev): -59.9577 -59.9577 -32.5547 -32.5547 -29.3890 -29.3890 -29.3890 -29.3890 -21.3139 -21.3139 -5.4301 -5.4301 -5.2607 -5.2607 -5.1803 -5.1803 -4.1923 -4.1923 -3.1973 -3.1973 -3.0955 -3.0955 5.3591 5.3591 5.3699 5.3699 6.0525 6.0525 6.5999 6.5999 6.7492 6.7492 6.7707 6.7707 10.8600 10.8600 10.8754 10.8754 11.0185 11.0185 13.6358 13.6358 13.6677 13.6677 13.8204 13.8204 18.4111 18.4111 18.4122 18.4122 18.6033 18.6033 k = 0.4071 0.4071 0.4071 ( 4884 PWs) bands (ev): -59.9577 -59.9577 -32.5549 -32.5549 -29.3893 -29.3893 -29.3893 -29.3893 -21.3133 -21.3133 -5.3964 -5.3964 -5.2476 -5.2476 -5.1689 -5.1689 -4.2089 -4.2089 -3.2072 -3.2072 -3.1167 -3.1167 5.3260 5.3260 5.3354 5.3354 6.0187 6.0187 6.5987 6.5987 6.7328 6.7328 6.7551 6.7551 10.8939 10.8939 10.9090 10.9090 11.0350 11.0350 13.6699 13.6699 13.6976 13.6976 13.8522 13.8522 18.4198 18.4198 18.4229 18.4229 18.5594 18.5594 k = 0.4143 0.4143 0.4143 ( 4881 PWs) bands (ev): -59.9577 -59.9577 -32.5551 -32.5551 -29.3896 -29.3896 -29.3896 -29.3896 -21.3126 -21.3126 -5.3639 -5.3639 -5.2345 -5.2345 -5.1580 -5.1580 -4.2256 -4.2256 -3.2167 -3.2167 -3.1374 -3.1374 5.2953 5.2953 5.3032 5.3032 5.9861 5.9861 6.5996 6.5996 6.7178 6.7178 6.7408 6.7408 10.9264 10.9264 10.9412 10.9412 11.0505 11.0505 13.7018 13.7018 13.7255 13.7255 13.8819 13.8819 18.4149 18.4149 18.4192 18.4192 18.5159 18.5159 k = 0.4214 0.4214 0.4214 ( 4881 PWs) bands (ev): -59.9577 -59.9577 -32.5553 -32.5553 -29.3899 -29.3899 -29.3899 -29.3899 -21.3121 -21.3121 -5.3331 -5.3331 -5.2214 -5.2214 -5.1477 -5.1477 -4.2422 -4.2422 -3.2258 -3.2258 -3.1574 -3.1574 5.2668 5.2668 5.2735 5.2735 5.9551 5.9551 6.6019 6.6019 6.7044 6.7044 6.7278 6.7278 10.9571 10.9571 10.9718 10.9718 11.0649 11.0649 13.7313 13.7313 13.7513 13.7513 13.9094 13.9094 18.3997 18.3997 18.4045 18.4045 18.4734 18.4734 k = 0.4286 0.4286 0.4286 ( 4875 PWs) bands (ev): -59.9577 -59.9577 -32.5554 -32.5554 -29.3902 -29.3902 -29.3901 -29.3901 -21.3115 -21.3115 -5.3044 -5.3044 -5.2081 -5.2081 -5.1381 -5.1381 -4.2586 -4.2586 -3.2343 -3.2343 -3.1764 -3.1764 5.2407 5.2407 5.2462 5.2462 5.9259 5.9259 6.6051 6.6051 6.6925 6.6925 6.7159 6.7159 10.9859 10.9859 11.0005 11.0005 11.0783 11.0783 13.7585 13.7585 13.7751 13.7751 13.9348 13.9348 18.3782 18.3782 18.3829 18.3829 18.4324 18.4324 k = 0.4357 0.4357 0.4357 ( 4887 PWs) bands (ev): -59.9577 -59.9577 -32.5556 -32.5556 -29.3904 -29.3904 -29.3904 -29.3904 -21.3111 -21.3111 -5.2784 -5.2784 -5.1942 -5.1942 -5.1293 -5.1293 -4.2747 -4.2747 -3.2422 -3.2422 -3.1942 -3.1942 5.2171 5.2171 5.2215 5.2215 5.8989 5.8989 6.6086 6.6086 6.6822 6.6822 6.7053 6.7053 11.0126 11.0126 11.0271 11.0271 11.0905 11.0905 13.7832 13.7832 13.7967 13.7967 13.9580 13.9580 18.3533 18.3533 18.3577 18.3577 18.3936 18.3936 k = 0.4429 0.4429 0.4429 ( 4881 PWs) bands (ev): -59.9576 -59.9576 -32.5557 -32.5557 -29.3906 -29.3906 -29.3906 -29.3906 -21.3106 -21.3106 -5.2558 -5.2558 -5.1795 -5.1795 -5.1212 -5.1212 -4.2901 -4.2901 -3.2495 -3.2495 -3.2108 -3.2108 5.1958 5.1958 5.1993 5.1993 5.8742 5.8742 6.6120 6.6120 6.6737 6.6737 6.6959 6.6959 11.0370 11.0370 11.0515 11.0515 11.1017 11.1017 13.8054 13.8054 13.8161 13.8161 13.9789 13.9789 18.3275 18.3275 18.3313 18.3313 18.3573 18.3573 k = 0.4500 0.4500 0.4500 ( 4875 PWs) bands (ev): -59.9576 -59.9576 -32.5558 -32.5558 -29.3908 -29.3908 -29.3908 -29.3908 -21.3102 -21.3102 -5.2371 -5.2371 -5.1639 -5.1639 -5.1139 -5.1139 -4.3048 -4.3048 -3.2560 -3.2560 -3.2259 -3.2259 5.1770 5.1770 5.1797 5.1797 5.8521 5.8521 6.6148 6.6148 6.6672 6.6672 6.6876 6.6876 11.0589 11.0589 11.0735 11.0735 11.1116 11.1116 13.8252 13.8252 13.8334 13.8334 13.9974 13.9974 18.3022 18.3022 18.3055 18.3055 18.3242 18.3242 k = 0.4571 0.4571 0.4571 ( 4863 PWs) bands (ev): -59.9576 -59.9576 -32.5559 -32.5559 -29.3909 -29.3909 -29.3909 -29.3909 -21.3099 -21.3099 -5.2222 -5.2222 -5.1478 -5.1478 -5.1075 -5.1075 -4.3184 -4.3184 -3.2618 -3.2618 -3.2393 -3.2393 5.1606 5.1606 5.1626 5.1626 5.8327 5.8327 6.6165 6.6165 6.6627 6.6627 6.6804 6.6804 11.0781 11.0781 11.0930 11.0930 11.1205 11.1205 13.8424 13.8424 13.8484 13.8484 14.0136 14.0136 18.2787 18.2787 18.2815 18.2815 18.2945 18.2945 k = 0.4643 0.4643 0.4643 ( 4860 PWs) bands (ev): -59.9576 -59.9576 -32.5559 -32.5559 -29.3911 -29.3911 -29.3910 -29.3910 -21.3096 -21.3096 -5.2107 -5.2107 -5.1321 -5.1321 -5.1020 -5.1020 -4.3307 -4.3307 -3.2668 -3.2668 -3.2509 -3.2509 5.1468 5.1468 5.1481 5.1481 5.8161 5.8161 6.6170 6.6170 6.6603 6.6603 6.6744 6.6744 11.0944 11.0944 11.1097 11.1097 11.1283 11.1283 13.8569 13.8569 13.8612 13.8612 14.0274 14.0274 18.2578 18.2578 18.2600 18.2600 18.2688 18.2688 k = 0.4714 0.4714 0.4714 ( 4875 PWs) bands (ev): -59.9576 -59.9576 -32.5561 -32.5561 -29.3912 -29.3912 -29.3912 -29.3912 -21.3094 -21.3094 -5.2020 -5.2020 -5.1178 -5.1178 -5.0974 -5.0974 -4.3413 -4.3413 -3.2709 -3.2709 -3.2607 -3.2607 5.1354 5.1354 5.1363 5.1363 5.8024 5.8024 6.6165 6.6165 6.6595 6.6595 6.6695 6.6695 11.1076 11.1076 11.1235 11.1235 11.1350 11.1350 13.8689 13.8689 13.8716 13.8716 14.0387 14.0387 18.2399 18.2399 18.2417 18.2417 18.2473 18.2473 k = 0.4786 0.4786 0.4786 ( 4884 PWs) bands (ev): -59.9576 -59.9576 -32.5561 -32.5561 -29.3913 -29.3913 -29.3913 -29.3913 -21.3092 -21.3092 -5.1956 -5.1956 -5.1058 -5.1058 -5.0938 -5.0938 -4.3499 -4.3499 -3.2742 -3.2742 -3.2684 -3.2684 5.1265 5.1265 5.1270 5.1270 5.7917 5.7917 6.6155 6.6155 6.6596 6.6596 6.6657 6.6657 11.1176 11.1176 11.1344 11.1344 11.1405 11.1405 13.8783 13.8783 13.8798 13.8798 14.0475 14.0475 18.2257 18.2257 18.2270 18.2270 18.2304 18.2304 k = 0.4857 0.4857 0.4857 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3091 -21.3091 -5.1913 -5.1913 -5.0967 -5.0967 -5.0913 -5.0913 -4.3563 -4.3563 -3.2765 -3.2765 -3.2739 -3.2739 5.1202 5.1202 5.1204 5.1204 5.7840 5.7840 6.6144 6.6144 6.6602 6.6602 6.6630 6.6630 11.1245 11.1245 11.1423 11.1423 11.1448 11.1448 13.8849 13.8849 13.8856 13.8856 14.0538 14.0538 18.2153 18.2153 18.2161 18.2161 18.2184 18.2184 k = 0.4929 0.4929 0.4929 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3090 -21.3090 -5.1887 -5.1887 -5.0911 -5.0911 -5.0897 -5.0897 -4.3603 -4.3603 -3.2779 -3.2779 -3.2773 -3.2773 5.1164 5.1164 5.1165 5.1165 5.7794 5.7794 6.6136 6.6136 6.6606 6.6606 6.6614 6.6614 11.1285 11.1285 11.1470 11.1470 11.1476 11.1476 13.8890 13.8890 13.8891 13.8891 14.0576 14.0576 18.2090 18.2090 18.2092 18.2092 18.2113 18.2113 k = 0.5000 0.5000 0.5000 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3090 -21.3090 -5.1879 -5.1879 -5.0892 -5.0892 -5.0892 -5.0892 -4.3616 -4.3616 -3.2784 -3.2784 -3.2784 -3.2784 5.1151 5.1151 5.1151 5.1151 5.7778 5.7778 6.6134 6.6134 6.6608 6.6608 6.6608 6.6608 11.1298 11.1298 11.1486 11.1486 11.1486 11.1486 13.8903 13.8903 13.8903 13.8903 14.0589 14.0589 18.2069 18.2069 18.2069 18.2069 18.2090 18.2090 k = 0.5000 0.5000 0.5000 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3090 -21.3090 -5.1879 -5.1879 -5.0892 -5.0892 -5.0892 -5.0892 -4.3616 -4.3616 -3.2784 -3.2784 -3.2784 -3.2784 5.1151 5.1151 5.1151 5.1151 5.7778 5.7778 6.6134 6.6134 6.6608 6.6608 6.6608 6.6608 11.1298 11.1298 11.1486 11.1486 11.1486 11.1486 13.8903 13.8903 13.8903 13.8903 14.0589 14.0589 18.2069 18.2069 18.2069 18.2069 18.2090 18.2090 k = 0.4912 0.5000 0.4912 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3090 -21.3090 -5.1887 -5.1887 -5.0910 -5.0910 -5.0898 -5.0898 -4.3603 -4.3603 -3.2779 -3.2779 -3.2773 -3.2773 5.1158 5.1158 5.1171 5.1171 5.7794 5.7794 6.6136 6.6136 6.6605 6.6605 6.6615 6.6615 11.1285 11.1285 11.1469 11.1469 11.1477 11.1477 13.8888 13.8888 13.8892 13.8892 14.0576 14.0576 18.2086 18.2086 18.2094 18.2094 18.2116 18.2116 k = 0.4825 0.5000 0.4825 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3091 -21.3091 -5.1913 -5.1913 -5.0964 -5.0964 -5.0916 -5.0916 -4.3563 -4.3563 -3.2764 -3.2764 -3.2740 -3.2740 5.1177 5.1177 5.1230 5.1230 5.7840 5.7840 6.6144 6.6144 6.6598 6.6598 6.6634 6.6634 11.1244 11.1244 11.1419 11.1419 11.1452 11.1452 13.8845 13.8845 13.8861 13.8861 14.0538 14.0538 18.2136 18.2136 18.2156 18.2156 18.2208 18.2208 k = 0.4737 0.5000 0.4737 ( 4888 PWs) bands (ev): -59.9576 -59.9576 -32.5561 -32.5561 -29.3914 -29.3914 -29.3912 -29.3912 -21.3092 -21.3092 -5.1956 -5.1956 -5.1052 -5.1052 -5.0946 -5.0946 -4.3498 -4.3498 -3.2738 -3.2738 -3.2686 -3.2686 5.1208 5.1208 5.1328 5.1328 5.7919 5.7919 6.6152 6.6152 6.6589 6.6589 6.6667 6.6667 11.1171 11.1171 11.1338 11.1338 11.1414 11.1414 13.8772 13.8772 13.8808 13.8808 14.0475 14.0475 18.2215 18.2215 18.2253 18.2253 18.2367 18.2367 k = 0.4649 0.5000 0.4649 ( 4864 PWs) bands (ev): -59.9576 -59.9576 -32.5560 -32.5560 -29.3913 -29.3913 -29.3910 -29.3910 -21.3094 -21.3094 -5.2019 -5.2019 -5.1169 -5.1169 -5.0987 -5.0987 -4.3411 -4.3411 -3.2703 -3.2703 -3.2612 -3.2612 5.1249 5.1249 5.1465 5.1465 5.8030 5.8030 6.6156 6.6156 6.6584 6.6584 6.6715 6.6715 11.1061 11.1061 11.1229 11.1229 11.1367 11.1367 13.8670 13.8670 13.8734 13.8734 14.0388 14.0388 18.2321 18.2321 18.2387 18.2387 18.2587 18.2587 k = 0.4561 0.5000 0.4561 ( 4864 PWs) bands (ev): -59.9576 -59.9576 -32.5560 -32.5560 -29.3913 -29.3913 -29.3908 -29.3908 -21.3096 -21.3096 -5.2104 -5.2104 -5.1310 -5.1310 -5.1039 -5.1039 -4.3303 -4.3303 -3.2657 -3.2657 -3.2517 -3.2517 5.1301 5.1301 5.1641 5.1641 5.8173 5.8173 6.6148 6.6148 6.6589 6.6589 6.6779 6.6779 11.0913 11.0913 11.1092 11.1092 11.1311 11.1311 13.8539 13.8539 13.8640 13.8640 14.0277 14.0277 18.2451 18.2451 18.2558 18.2558 18.2866 18.2866 k = 0.4474 0.5000 0.4474 ( 4870 PWs) bands (ev): -59.9576 -59.9576 -32.5559 -32.5559 -29.3912 -29.3912 -29.3906 -29.3906 -21.3099 -21.3099 -5.2215 -5.2215 -5.1468 -5.1468 -5.1100 -5.1100 -4.3178 -4.3178 -3.2602 -3.2602 -3.2404 -3.2404 5.1360 5.1360 5.1855 5.1855 5.8351 5.8351 6.6122 6.6122 6.6612 6.6612 6.6861 6.6861 11.0727 11.0727 11.0932 11.0932 11.1245 11.1245 13.8379 13.8379 13.8526 13.8526 14.0143 14.0143 18.2598 18.2598 18.2763 18.2763 18.3200 18.3200 k = 0.4386 0.5000 0.4386 ( 4870 PWs) bands (ev): -59.9576 -59.9576 -32.5558 -32.5558 -29.3911 -29.3911 -29.3904 -29.3904 -21.3102 -21.3102 -5.2357 -5.2357 -5.1634 -5.1634 -5.1169 -5.1169 -4.3039 -4.3039 -3.2538 -3.2538 -3.2274 -3.2274 5.1425 5.1425 5.2107 5.2107 5.8563 5.8563 6.6076 6.6076 6.6652 6.6652 6.6962 6.6962 11.0504 11.0504 11.0749 11.0749 11.1170 11.1170 13.8190 13.8190 13.8394 13.8394 13.9989 13.9989 18.2754 18.2754 18.3000 18.3000 18.3583 18.3583 k = 0.4298 0.5000 0.4298 ( 4882 PWs) bands (ev): -59.9576 -59.9576 -32.5557 -32.5557 -29.3911 -29.3911 -29.3901 -29.3901 -21.3106 -21.3106 -5.2537 -5.2537 -5.1797 -5.1797 -5.1246 -5.1246 -4.2889 -4.2889 -3.2466 -3.2466 -3.2128 -3.2128 5.1495 5.1495 5.2397 5.2397 5.8811 5.8811 6.6013 6.6013 6.6708 6.6708 6.7085 6.7085 11.0247 11.0247 11.0544 11.0544 11.1083 11.1083 13.7973 13.7973 13.8242 13.8242 13.9815 13.9815 18.2906 18.2906 18.3265 18.3265 18.4010 18.4010 k = 0.4211 0.5000 0.4211 ( 4880 PWs) bands (ev): -59.9577 -59.9577 -32.5556 -32.5556 -29.3910 -29.3910 -29.3898 -29.3898 -21.3110 -21.3110 -5.2755 -5.2755 -5.1953 -5.1953 -5.1330 -5.1330 -4.2730 -4.2730 -3.2384 -3.2384 -3.1967 -3.1967 5.1567 5.1567 5.2725 5.2725 5.9094 5.9094 6.5936 6.5936 6.6778 6.6778 6.7230 6.7230 10.9959 10.9959 11.0318 11.0318 11.0985 11.0985 13.7726 13.7726 13.8074 13.8074 13.9623 13.9623 18.3034 18.3034 18.3554 18.3554 18.4476 18.4476 k = 0.4123 0.5000 0.4123 ( 4888 PWs) bands (ev): -59.9577 -59.9577 -32.5554 -32.5554 -29.3909 -29.3909 -29.3894 -29.3894 -21.3115 -21.3115 -5.3011 -5.3011 -5.2098 -5.2098 -5.1420 -5.1420 -4.2564 -4.2564 -3.2295 -3.2295 -3.1794 -3.1794 5.1641 5.1641 5.3089 5.3089 5.9414 5.9414 6.5850 6.5850 6.6859 6.6859 6.7398 6.7398 10.9642 10.9642 11.0072 11.0072 11.0874 11.0874 13.7451 13.7451 13.7889 13.7889 13.9415 13.9415 18.3107 18.3107 18.3861 18.3861 18.4975 18.4975 k = 0.4035 0.5000 0.4035 ( 4884 PWs) bands (ev): -59.9577 -59.9577 -32.5553 -32.5553 -29.3908 -29.3908 -29.3890 -29.3890 -21.3120 -21.3120 -5.3298 -5.3298 -5.2236 -5.2236 -5.1516 -5.1516 -4.2394 -4.2394 -3.2199 -3.2199 -3.1610 -3.1610 5.1713 5.1713 5.3489 5.3489 5.9769 5.9769 6.5758 6.5758 6.6950 6.6950 6.7590 6.7590 10.9298 10.9298 10.9808 10.9808 11.0750 11.0750 13.7148 13.7148 13.7689 13.7689 13.9192 13.9192 18.3087 18.3087 18.4179 18.4179 18.5499 18.5499 k = 0.3947 0.5000 0.3947 ( 4880 PWs) bands (ev): -59.9577 -59.9577 -32.5551 -32.5551 -29.3907 -29.3907 -29.3886 -29.3886 -21.3126 -21.3126 -5.3612 -5.3612 -5.2367 -5.2367 -5.1617 -5.1617 -4.2222 -4.2222 -3.2095 -3.2095 -3.1417 -3.1417 5.1784 5.1784 5.3924 5.3924 6.0159 6.0159 6.5662 6.5662 6.7050 6.7050 6.7806 6.7806 10.8930 10.8930 10.9526 10.9526 11.0613 11.0613 13.6815 13.6815 13.7475 13.7475 13.8958 13.8958 18.2927 18.2927 18.4496 18.4496 18.6042 18.6042 k = 0.3860 0.5000 0.3860 ( 4882 PWs) bands (ev): -59.9577 -59.9577 -32.5549 -32.5549 -29.3905 -29.3905 -29.3881 -29.3881 -21.3132 -21.3132 -5.3947 -5.3947 -5.2493 -5.2493 -5.1722 -5.1722 -4.2049 -4.2049 -3.1985 -3.1985 -3.1217 -3.1217 5.1852 5.1852 5.4394 5.4394 6.0584 6.0584 6.5565 6.5565 6.7159 6.7159 6.8048 6.8048 10.8540 10.8540 10.9229 10.9229 11.0460 11.0460 13.6455 13.6455 13.7249 13.7249 13.8713 13.8713 18.2594 18.2594 18.4799 18.4799 18.6596 18.6596 k = 0.3772 0.5000 0.3772 ( 4886 PWs) bands (ev): -59.9577 -59.9577 -32.5547 -32.5547 -29.3904 -29.3904 -29.3876 -29.3876 -21.3139 -21.3139 -5.4298 -5.4298 -5.2615 -5.2615 -5.1831 -5.1831 -4.1877 -4.1877 -3.1870 -3.1870 -3.1011 -3.1011 5.1916 5.1916 5.4898 5.4898 6.1040 6.1040 6.5470 6.5470 6.7278 6.7278 6.8318 6.8318 10.8131 10.8131 10.8917 10.8917 11.0293 11.0293 13.6066 13.6066 13.7012 13.7012 13.8459 13.8459 18.2080 18.2080 18.5065 18.5065 18.7152 18.7152 k = 0.3684 0.5000 0.3684 ( 4886 PWs) bands (ev): -59.9577 -59.9577 -32.5545 -32.5545 -29.3903 -29.3903 -29.3871 -29.3871 -21.3146 -21.3146 -5.4665 -5.4665 -5.2733 -5.2733 -5.1944 -5.1944 -4.1706 -4.1706 -3.1750 -3.1750 -3.0801 -3.0801 5.1976 5.1976 5.5435 5.5435 6.1527 6.1527 6.5378 6.5378 6.7406 6.7406 6.8615 6.8615 10.7703 10.7703 10.8591 10.8591 11.0110 11.0110 13.5650 13.5650 13.6765 13.6765 13.8199 13.8199 18.1406 18.1406 18.5270 18.5270 18.7703 18.7703 k = 0.3596 0.5000 0.3596 ( 4892 PWs) bands (ev): -59.9577 -59.9577 -32.5543 -32.5543 -29.3902 -29.3902 -29.3865 -29.3865 -21.3153 -21.3153 -5.5042 -5.5042 -5.2847 -5.2847 -5.2061 -5.2061 -4.1538 -4.1538 -3.1625 -3.1625 -3.0590 -3.0590 5.2032 5.2032 5.6004 5.6004 6.2040 6.2040 6.5293 6.5293 6.7543 6.7543 6.8943 6.8943 10.7261 10.7261 10.8252 10.8252 10.9911 10.9911 13.5206 13.5206 13.6511 13.6511 13.7933 13.7933 18.0601 18.0601 18.5385 18.5385 18.8238 18.8238 k = 0.3509 0.5000 0.3509 ( 4908 PWs) bands (ev): -59.9578 -59.9578 -32.5541 -32.5541 -29.3900 -29.3900 -29.3860 -29.3860 -21.3160 -21.3160 -5.5429 -5.5429 -5.2956 -5.2956 -5.2180 -5.2180 -4.1374 -4.1374 -3.1497 -3.1497 -3.0377 -3.0377 5.2084 5.2084 5.6605 5.6605 6.2578 6.2578 6.5216 6.5216 6.7690 6.7690 6.9302 6.9302 10.6807 10.6807 10.7901 10.7901 10.9694 10.9694 13.4735 13.4735 13.6250 13.6250 13.7665 13.7665 17.9690 17.9690 18.5391 18.5391 18.8749 18.8749 k = 0.3421 0.5000 0.3421 ( 4908 PWs) bands (ev): -59.9578 -59.9578 -32.5539 -32.5539 -29.3899 -29.3899 -29.3854 -29.3854 -21.3168 -21.3168 -5.5824 -5.5824 -5.3059 -5.3059 -5.2302 -5.2302 -4.1213 -4.1213 -3.1365 -3.1365 -3.0166 -3.0166 5.2131 5.2131 5.7235 5.7235 6.3135 6.3135 6.5151 6.5151 6.7846 6.7846 6.9695 6.9695 10.6342 10.6342 10.7539 10.7539 10.9459 10.9459 13.4238 13.4238 13.5986 13.5986 13.7395 13.7395 17.8695 17.8695 18.5282 18.5282 18.9235 18.9235 k = 0.3333 0.5000 0.3333 ( 4904 PWs) bands (ev): -59.9578 -59.9578 -32.5537 -32.5537 -29.3897 -29.3897 -29.3847 -29.3847 -21.3176 -21.3176 -5.6224 -5.6224 -5.3156 -5.3156 -5.2425 -5.2425 -4.1057 -4.1057 -3.1232 -3.1232 -2.9958 -2.9958 5.2174 5.2174 5.7894 5.7894 6.3708 6.3708 6.5101 6.5101 6.8012 6.8012 7.0125 7.0125 10.5869 10.5869 10.7166 10.7166 10.9206 10.9206 13.3715 13.3715 13.5719 13.5719 13.7126 13.7126 17.7629 17.7629 18.5067 18.5067 18.9705 18.9705 k = 0.3246 0.5000 0.3246 ( 4900 PWs) bands (ev): -59.9578 -59.9578 -32.5534 -32.5534 -29.3895 -29.3895 -29.3841 -29.3841 -21.3185 -21.3185 -5.6629 -5.6629 -5.3248 -5.3248 -5.2549 -5.2549 -4.0906 -4.0906 -3.1097 -3.1097 -2.9753 -2.9753 5.2213 5.2213 5.8581 5.8581 6.4291 6.4291 6.5069 6.5069 6.8189 6.8189 7.0594 7.0594 10.5390 10.5390 10.6783 10.6783 10.8934 10.8934 13.3167 13.3167 13.5451 13.5451 13.6857 13.6857 17.6504 17.6504 18.4766 18.4766 19.0155 19.0155 k = 0.3158 0.5000 0.3158 ( 4904 PWs) bands (ev): -59.9578 -59.9578 -32.5531 -32.5531 -29.3894 -29.3894 -29.3834 -29.3834 -21.3193 -21.3193 -5.7037 -5.7037 -5.3333 -5.3333 -5.2674 -5.2674 -4.0760 -4.0760 -3.0961 -3.0961 -2.9554 -2.9554 5.2249 5.2249 5.9295 5.9295 6.4849 6.4849 6.5088 6.5088 6.8375 6.8375 7.1103 7.1103 10.4908 10.4908 10.6389 10.6389 10.8643 10.8643 13.2595 13.2595 13.5184 13.5184 13.6592 13.6592 17.5328 17.5328 18.4395 18.4395 19.0569 19.0569 k = 0.3070 0.5000 0.3070 ( 4916 PWs) bands (ev): -59.9579 -59.9579 -32.5529 -32.5529 -29.3892 -29.3892 -29.3827 -29.3827 -21.3202 -21.3202 -5.7447 -5.7447 -5.3412 -5.3412 -5.2797 -5.2797 -4.0620 -4.0620 -3.0825 -3.0825 -2.9361 -2.9361 5.2281 5.2281 6.0033 6.0033 6.5017 6.5017 6.5520 6.5520 6.8572 6.8572 7.1655 7.1655 10.4425 10.4425 10.5985 10.5985 10.8331 10.8331 13.1999 13.1999 13.4921 13.4921 13.6332 13.6332 17.4106 17.4106 18.3967 18.3967 19.0939 19.0939 k = 0.2982 0.5000 0.2982 ( 4920 PWs) bands (ev): -59.9579 -59.9579 -32.5527 -32.5527 -29.3891 -29.3891 -29.3821 -29.3821 -21.3211 -21.3211 -5.7857 -5.7857 -5.3487 -5.3487 -5.2917 -5.2917 -4.0486 -4.0486 -3.0690 -3.0690 -2.9175 -2.9175 5.2310 5.2310 6.0795 6.0795 6.5050 6.5050 6.6112 6.6112 6.8780 6.8780 7.2251 7.2251 10.3943 10.3943 10.5570 10.5570 10.7999 10.7999 13.1380 13.1380 13.4661 13.4661 13.6077 13.6077 17.2845 17.2845 18.3494 18.3494 19.1263 19.1263 k = 0.2895 0.5000 0.2895 ( 4908 PWs) bands (ev): -59.9579 -59.9579 -32.5523 -32.5523 -29.3888 -29.3888 -29.3813 -29.3813 -21.3221 -21.3221 -5.8266 -5.8266 -5.3558 -5.3558 -5.3031 -5.3031 -4.0358 -4.0358 -3.0556 -3.0556 -2.8998 -2.8998 5.2337 5.2337 6.1578 6.1578 6.5100 6.5100 6.6709 6.6709 6.8998 6.8998 7.2892 7.2892 10.3465 10.3465 10.5145 10.5145 10.7647 10.7647 13.0738 13.0738 13.4408 13.4408 13.5830 13.5830 17.1549 17.1549 18.2982 18.2982 19.1538 19.1538 k = 0.2807 0.5000 0.2807 ( 4920 PWs) bands (ev): -59.9579 -59.9579 -32.5521 -32.5521 -29.3887 -29.3887 -29.3806 -29.3806 -21.3230 -21.3230 -5.8673 -5.8673 -5.3629 -5.3629 -5.3136 -5.3136 -4.0237 -4.0237 -3.0425 -3.0425 -2.8830 -2.8830 5.2361 5.2361 6.2381 6.2381 6.5174 6.5174 6.7304 6.7304 6.9227 6.9227 7.3577 7.3577 10.2993 10.2993 10.4709 10.4709 10.7273 10.7273 13.0075 13.0075 13.4163 13.4163 13.5590 13.5590 17.0221 17.0221 18.2437 18.2437 19.1767 19.1767 k = 0.2719 0.5000 0.2719 ( 4916 PWs) bands (ev): -59.9579 -59.9579 -32.5518 -32.5518 -29.3885 -29.3885 -29.3799 -29.3799 -21.3239 -21.3239 -5.9078 -5.9078 -5.3704 -5.3704 -5.3227 -5.3227 -4.0122 -4.0122 -3.0296 -3.0296 -2.8671 -2.8671 5.2383 5.2383 6.3200 6.3200 6.5277 6.5277 6.7895 6.7895 6.9468 6.9468 7.4307 7.4307 10.2529 10.2529 10.4262 10.4262 10.6879 10.6879 12.9392 12.9392 13.3926 13.3926 13.5360 13.5360 16.8865 16.8865 18.1863 18.1863 19.1950 19.1950 k = 0.2632 0.5000 0.2632 ( 4912 PWs) bands (ev): -59.9580 -59.9580 -32.5515 -32.5515 -29.3883 -29.3883 -29.3791 -29.3791 -21.3249 -21.3249 -5.9479 -5.9479 -5.3787 -5.3787 -5.3300 -5.3300 -4.0014 -4.0014 -3.0172 -3.0172 -2.8522 -2.8522 5.2404 5.2404 6.4030 6.4030 6.5413 6.5413 6.8480 6.8480 6.9720 6.9720 7.5078 7.5078 10.2075 10.2075 10.3804 10.3804 10.6464 10.6464 12.8688 12.8688 13.3700 13.3700 13.5140 13.5140 16.7485 16.7485 18.1264 18.1264 19.2089 19.2089 k = 0.2544 0.5000 0.2544 ( 4912 PWs) bands (ev): -59.9580 -59.9580 -32.5512 -32.5512 -29.3881 -29.3881 -29.3784 -29.3784 -21.3258 -21.3258 -5.9875 -5.9875 -5.3880 -5.3880 -5.3351 -5.3351 -3.9912 -3.9912 -3.0052 -3.0052 -2.8382 -2.8382 5.2423 5.2423 6.4852 6.4852 6.5600 6.5600 6.9060 6.9060 6.9984 6.9984 7.5888 7.5888 10.1634 10.1634 10.3333 10.3333 10.6029 10.6029 12.7966 12.7966 13.3486 13.3486 13.4930 13.4930 16.6083 16.6083 18.0642 18.0642 19.2185 19.2185 k = 0.2456 0.5000 0.2456 ( 4914 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3879 -29.3879 -29.3776 -29.3776 -21.3268 -21.3268 -6.0265 -6.0265 -5.3983 -5.3983 -5.3381 -5.3381 -3.9818 -3.9818 -2.9937 -2.9937 -2.8252 -2.8252 5.2441 5.2441 6.5537 6.5537 6.5967 6.5967 6.9632 6.9632 7.0262 7.0262 7.6734 7.6734 10.1209 10.1209 10.2851 10.2851 10.5573 10.5573 12.7225 12.7225 13.3284 13.3284 13.4733 13.4733 16.4663 16.4663 18.0001 18.0001 19.2241 19.2241 k = 0.2368 0.5000 0.2368 ( 4914 PWs) bands (ev): -59.9580 -59.9580 -32.5507 -32.5507 -29.3878 -29.3878 -29.3769 -29.3769 -21.3278 -21.3278 -6.0649 -6.0649 -5.4094 -5.4094 -5.3392 -5.3392 -3.9731 -3.9731 -2.9830 -2.9830 -2.8131 -2.8131 5.2457 5.2457 6.5877 6.5877 6.6719 6.6719 7.0193 7.0193 7.0560 7.0560 7.7612 7.7612 10.0801 10.0801 10.2356 10.2356 10.5099 10.5099 12.6467 12.6467 13.3096 13.3096 13.4547 13.4547 16.3227 16.3227 17.9341 17.9341 19.2260 19.2260 k = 0.2281 0.5000 0.2281 ( 4914 PWs) bands (ev): -59.9580 -59.9580 -32.5504 -32.5504 -29.3876 -29.3876 -29.3761 -29.3761 -21.3287 -21.3287 -6.1026 -6.1026 -5.4210 -5.4210 -5.3386 -5.3386 -3.9651 -3.9651 -2.9729 -2.9729 -2.8019 -2.8019 5.2473 5.2473 6.6149 6.6149 6.7576 6.7576 7.0704 7.0704 7.0917 7.0917 7.8519 7.8519 10.0413 10.0413 10.1848 10.1848 10.4606 10.4606 12.5693 12.5693 13.2922 13.2922 13.4374 13.4374 16.1779 16.1779 17.8667 17.8667 19.2244 19.2244 k = 0.2193 0.5000 0.2193 ( 4922 PWs) bands (ev): -59.9581 -59.9581 -32.5501 -32.5501 -29.3874 -29.3874 -29.3754 -29.3754 -21.3297 -21.3297 -6.1394 -6.1394 -5.4328 -5.4328 -5.3366 -5.3366 -3.9579 -3.9579 -2.9636 -2.9636 -2.7916 -2.7916 5.2489 5.2489 6.6437 6.6437 6.8451 6.8451 7.1086 7.1086 7.1415 7.1415 7.9451 7.9451 10.0048 10.0048 10.1327 10.1327 10.4095 10.4095 12.4903 12.4903 13.2764 13.2764 13.4214 13.4214 16.0321 16.0321 17.7979 17.7979 19.2196 19.2196 k = 0.2105 0.5000 0.2105 ( 4922 PWs) bands (ev): -59.9581 -59.9581 -32.5498 -32.5498 -29.3872 -29.3872 -29.3747 -29.3747 -21.3306 -21.3306 -6.1754 -6.1754 -5.4447 -5.4447 -5.3332 -5.3332 -3.9514 -3.9514 -2.9553 -2.9553 -2.7819 -2.7819 5.2503 5.2503 6.6754 6.6754 6.9329 6.9329 7.1419 7.1419 7.1972 7.1972 8.0404 8.0404 9.9708 9.9708 10.0792 10.0792 10.3568 10.3568 12.4099 12.4099 13.2621 13.2621 13.4067 13.4067 15.8855 15.8855 17.7280 17.7280 19.2119 19.2119 k = 0.2018 0.5000 0.2018 ( 4930 PWs) bands (ev): -59.9581 -59.9581 -32.5496 -32.5496 -29.3871 -29.3871 -29.3740 -29.3740 -21.3315 -21.3315 -6.2104 -6.2104 -5.4565 -5.4565 -5.3287 -5.3287 -3.9457 -3.9457 -2.9478 -2.9478 -2.7729 -2.7729 5.2518 5.2518 6.7100 6.7100 7.0203 7.0203 7.1753 7.1753 7.2544 7.2544 8.1375 8.1375 9.9395 9.9395 10.0246 10.0246 10.3026 10.3026 12.3282 12.3282 13.2493 13.2493 13.3932 13.3932 15.7386 15.7386 17.6573 17.6573 19.2012 19.2012 k = 0.1930 0.5000 0.1930 ( 4926 PWs) bands (ev): -59.9581 -59.9581 -32.5493 -32.5493 -29.3869 -29.3869 -29.3732 -29.3732 -21.3324 -21.3324 -6.2444 -6.2444 -5.4682 -5.4682 -5.3232 -5.3232 -3.9408 -3.9408 -2.9414 -2.9414 -2.7644 -2.7644 5.2532 5.2532 6.7478 6.7478 7.1064 7.1064 7.2096 7.2096 7.3123 7.3123 8.2360 8.2360 9.9109 9.9109 9.9690 9.9690 10.2470 10.2470 12.2453 12.2453 13.2381 13.2381 13.3811 13.3811 15.5915 15.5915 17.5859 17.5859 19.1876 19.1876 k = 0.1842 0.5000 0.1842 ( 4926 PWs) bands (ev): -59.9581 -59.9581 -32.5490 -32.5490 -29.3867 -29.3867 -29.3725 -29.3725 -21.3333 -21.3333 -6.2773 -6.2773 -5.4797 -5.4797 -5.3167 -5.3167 -3.9366 -3.9366 -2.9361 -2.9361 -2.7564 -2.7564 5.2545 5.2545 6.7886 6.7886 7.1901 7.1901 7.2455 7.2455 7.3709 7.3709 8.3355 8.3355 9.8840 9.8840 9.9138 9.9138 10.1902 10.1902 12.1612 12.1612 13.2285 13.2285 13.3702 13.3702 15.4445 15.4445 17.5143 17.5143 19.1699 19.1699 k = 0.1754 0.5000 0.1754 ( 4930 PWs) bands (ev): -59.9582 -59.9582 -32.5488 -32.5488 -29.3865 -29.3865 -29.3719 -29.3719 -21.3342 -21.3342 -6.3090 -6.3090 -5.4910 -5.4910 -5.3094 -5.3094 -3.9332 -3.9332 -2.9318 -2.9318 -2.7488 -2.7488 5.2558 5.2558 6.8324 6.8324 7.2649 7.2649 7.2889 7.2889 7.4303 7.4303 8.4358 8.4358 9.8448 9.8448 9.8733 9.8733 10.1324 10.1324 12.0762 12.0762 13.2203 13.2203 13.3605 13.3605 15.2981 15.2981 17.4425 17.4425 19.1433 19.1433 k = 0.1667 0.5000 0.1667 ( 4930 PWs) bands (ev): -59.9582 -59.9582 -32.5485 -32.5485 -29.3864 -29.3864 -29.3712 -29.3712 -21.3350 -21.3350 -6.3396 -6.3396 -5.5019 -5.5019 -5.3013 -5.3013 -3.9306 -3.9306 -2.9286 -2.9286 -2.7415 -2.7415 5.2571 5.2571 6.8791 6.8791 7.3114 7.3114 7.3582 7.3582 7.4908 7.4908 8.5366 8.5366 9.7875 9.7875 9.8536 9.8536 10.0738 10.0738 11.9903 11.9903 13.2137 13.2137 13.3519 13.3519 15.1525 15.1525 17.3710 17.3710 19.1031 19.1031 k = 0.1579 0.5000 0.1579 ( 4930 PWs) bands (ev): -59.9582 -59.9582 -32.5483 -32.5483 -29.3862 -29.3862 -29.3706 -29.3706 -21.3358 -21.3358 -6.3689 -6.3689 -5.5124 -5.5124 -5.2926 -5.2926 -3.9288 -3.9288 -2.9264 -2.9264 -2.7345 -2.7345 5.2584 5.2584 6.9287 6.9287 7.3500 7.3500 7.4324 7.4324 7.5525 7.5525 8.6375 8.6375 9.7265 9.7265 9.8408 9.8408 10.0145 10.0145 11.9037 11.9037 13.2084 13.2084 13.3445 13.3445 15.0080 15.0080 17.2999 17.2999 19.0582 19.0582 k = 0.1491 0.5000 0.1491 ( 4926 PWs) bands (ev): -59.9582 -59.9582 -32.5481 -32.5481 -29.3861 -29.3861 -29.3699 -29.3699 -21.3366 -21.3366 -6.3969 -6.3969 -5.5225 -5.5225 -5.2832 -5.2832 -3.9277 -3.9277 -2.9252 -2.9252 -2.7277 -2.7277 5.2596 5.2596 6.9809 6.9809 7.3883 7.3883 7.5032 7.5032 7.6151 7.6151 8.7384 8.7384 9.6638 9.6638 9.8332 9.8332 9.9549 9.9549 11.8165 11.8165 13.2045 13.2045 13.3381 13.3381 14.8651 14.8651 17.2297 17.2297 19.0136 19.0136 k = 0.1404 0.5000 0.1404 ( 4930 PWs) bands (ev): -59.9582 -59.9582 -32.5478 -32.5478 -29.3859 -29.3859 -29.3694 -29.3694 -21.3374 -21.3374 -6.4235 -6.4235 -5.5323 -5.5323 -5.2735 -5.2735 -3.9273 -3.9273 -2.9248 -2.9248 -2.7212 -2.7212 5.2609 5.2609 7.0356 7.0356 7.4269 7.4269 7.5697 7.5697 7.6783 7.6783 8.8388 8.8388 9.5997 9.5997 9.8307 9.8307 9.8950 9.8950 11.7288 11.7288 13.2018 13.2018 13.3327 13.3327 14.7242 14.7242 17.1606 17.1606 18.9706 18.9706 k = 0.1316 0.5000 0.1316 ( 4934 PWs) bands (ev): -59.9582 -59.9582 -32.5476 -32.5476 -29.3858 -29.3858 -29.3688 -29.3688 -21.3381 -21.3381 -6.4488 -6.4488 -5.5415 -5.5415 -5.2633 -5.2633 -3.9276 -3.9276 -2.9253 -2.9253 -2.7149 -2.7149 5.2620 5.2620 7.0927 7.0927 7.4658 7.4658 7.6319 7.6319 7.7409 7.7409 8.9387 8.9387 9.5345 9.5345 9.8331 9.8331 9.8357 9.8357 11.6408 11.6408 13.2001 13.2001 13.3282 13.3282 14.5857 14.5857 17.0930 17.0930 18.9296 18.9296 k = 0.1228 0.5000 0.1228 ( 4930 PWs) bands (ev): -59.9583 -59.9583 -32.5474 -32.5474 -29.3856 -29.3856 -29.3682 -29.3682 -21.3388 -21.3388 -6.4726 -6.4726 -5.5503 -5.5503 -5.2529 -5.2529 -3.9284 -3.9284 -2.9264 -2.9264 -2.7088 -2.7088 5.2632 5.2632 7.1518 7.1518 7.5051 7.5051 7.6904 7.6904 7.8018 7.8018 9.0377 9.0377 9.4684 9.4684 9.7759 9.7759 9.8417 9.8417 11.5527 11.5527 13.1994 13.1994 13.3245 13.3245 14.4502 14.4502 17.0273 17.0273 18.8908 18.8908 k = 0.1140 0.5000 0.1140 ( 4924 PWs) bands (ev): -59.9583 -59.9583 -32.5472 -32.5472 -29.3855 -29.3855 -29.3677 -29.3677 -21.3394 -21.3394 -6.4949 -6.4949 -5.5585 -5.5585 -5.2425 -5.2425 -3.9299 -3.9299 -2.9281 -2.9281 -2.7030 -2.7030 5.2643 5.2643 7.2127 7.2127 7.5444 7.5444 7.7455 7.7455 7.8600 7.8600 9.1355 9.1355 9.4015 9.4015 9.7173 9.7173 9.8551 9.8551 11.4645 11.4645 13.1995 13.1995 13.3215 13.3215 14.3183 14.3183 16.9638 16.9638 18.8542 18.8542 k = 0.1053 0.5000 0.1053 ( 4920 PWs) bands (ev): -59.9583 -59.9583 -32.5470 -32.5470 -29.3854 -29.3854 -29.3672 -29.3672 -21.3400 -21.3400 -6.5158 -6.5158 -5.5662 -5.5662 -5.2320 -5.2320 -3.9318 -3.9318 -2.9302 -2.9302 -2.6974 -2.6974 5.2653 5.2653 7.2751 7.2751 7.5837 7.5837 7.7975 7.7975 7.9144 7.9144 9.2315 9.2315 9.3346 9.3346 9.6597 9.6597 9.8736 9.8736 11.3763 11.3763 13.2003 13.2003 13.3191 13.3191 14.1905 14.1905 16.9029 16.9029 18.8201 18.8201 k = 0.0965 0.5000 0.0965 ( 4920 PWs) bands (ev): -59.9583 -59.9583 -32.5469 -32.5469 -29.3853 -29.3853 -29.3668 -29.3668 -21.3406 -21.3406 -6.5350 -6.5350 -5.5734 -5.5734 -5.2216 -5.2216 -3.9341 -3.9341 -2.9326 -2.9326 -2.6922 -2.6922 5.2663 5.2663 7.3388 7.3388 7.6227 7.6227 7.8464 7.8464 7.9646 7.9646 9.2629 9.2629 9.3305 9.3305 9.6036 9.6036 9.8968 9.8968 11.2885 11.2885 13.2016 13.2016 13.3170 13.3170 14.0677 14.0677 16.8450 16.8450 18.7885 18.7885 k = 0.0877 0.5000 0.0877 ( 4932 PWs) bands (ev): -59.9583 -59.9583 -32.5467 -32.5467 -29.3852 -29.3852 -29.3664 -29.3664 -21.3411 -21.3411 -6.5527 -6.5527 -5.5800 -5.5800 -5.2115 -5.2115 -3.9367 -3.9367 -2.9351 -2.9351 -2.6873 -2.6873 5.2673 5.2673 7.4031 7.4031 7.6610 7.6610 7.8920 7.8920 8.0103 8.0103 9.1962 9.1962 9.4227 9.4227 9.5496 9.5496 9.9241 9.9241 11.2010 11.2010 13.2033 13.2033 13.3151 13.3151 13.9508 13.9508 16.7905 16.7905 18.7594 18.7594 k = 0.0789 0.5000 0.0789 ( 4940 PWs) bands (ev): -59.9583 -59.9583 -32.5466 -32.5466 -29.3851 -29.3851 -29.3660 -29.3660 -21.3416 -21.3416 -6.5688 -6.5688 -5.5860 -5.5860 -5.2019 -5.2019 -3.9396 -3.9396 -2.9378 -2.9378 -2.6828 -2.6828 5.2681 5.2681 7.4677 7.4677 7.6985 7.6985 7.9341 7.9341 8.0512 8.0512 9.1285 9.1285 9.4932 9.4932 9.5193 9.5193 9.9549 9.9549 11.1141 11.1141 13.2052 13.2052 13.3131 13.3131 13.8408 13.8408 16.7397 16.7397 18.7328 18.7328 k = 0.0702 0.5000 0.0702 ( 4940 PWs) bands (ev): -59.9583 -59.9583 -32.5465 -32.5465 -29.3850 -29.3850 -29.3657 -29.3657 -21.3420 -21.3420 -6.5833 -6.5833 -5.5915 -5.5915 -5.1928 -5.1928 -3.9425 -3.9425 -2.9405 -2.9405 -2.6787 -2.6787 5.2689 5.2689 7.5319 7.5319 7.7347 7.7347 7.9725 7.9725 8.0874 8.0874 9.0615 9.0615 9.4471 9.4471 9.6067 9.6067 9.9879 9.9879 11.0279 11.0279 13.2073 13.2073 13.3105 13.3105 13.7390 13.7390 16.6930 16.6930 18.7090 18.7090 k = 0.0614 0.5000 0.0614 ( 4940 PWs) bands (ev): -59.9583 -59.9583 -32.5464 -32.5464 -29.3850 -29.3850 -29.3654 -29.3654 -21.3424 -21.3424 -6.5961 -6.5961 -5.5963 -5.5963 -5.1843 -5.1843 -3.9455 -3.9455 -2.9430 -2.9430 -2.6751 -2.6751 5.2696 5.2696 7.5947 7.5947 7.7693 7.7693 8.0068 8.0068 8.1192 8.1192 8.9958 8.9958 9.4015 9.4015 9.6953 9.6953 10.0222 10.0222 10.9427 10.9427 13.2093 13.2093 13.3067 13.3067 13.6470 13.6470 16.6509 16.6509 18.6878 18.6878 k = 0.0526 0.5000 0.0526 ( 4940 PWs) bands (ev): -59.9583 -59.9583 -32.5463 -32.5463 -29.3849 -29.3849 -29.3651 -29.3651 -21.3427 -21.3427 -6.6073 -6.6073 -5.6005 -5.6005 -5.1767 -5.1767 -3.9483 -3.9483 -2.9454 -2.9454 -2.6718 -2.6718 5.2703 5.2703 7.6551 7.6551 7.8020 7.8020 8.0367 8.0367 8.1465 8.1465 8.9325 8.9325 9.3598 9.3598 9.7820 9.7820 10.0562 10.0562 10.8585 10.8585 13.2112 13.2112 13.3005 13.3005 13.5669 13.5669 16.6135 16.6135 18.6694 18.6694 k = 0.0439 0.5000 0.0439 ( 4944 PWs) bands (ev): -59.9583 -59.9583 -32.5462 -32.5462 -29.3848 -29.3848 -29.3649 -29.3649 -21.3430 -21.3430 -6.6167 -6.6167 -5.6040 -5.6040 -5.1700 -5.1700 -3.9509 -3.9509 -2.9475 -2.9475 -2.6691 -2.6691 5.2708 5.2708 7.7114 7.7114 7.8324 7.8324 8.0620 8.0620 8.1696 8.1696 8.8728 8.8728 9.3228 9.3228 9.8663 9.8663 10.0888 10.0888 10.7759 10.7759 13.2130 13.2130 13.2905 13.2905 13.5013 13.5013 16.5814 16.5814 18.6537 18.6537 k = 0.0351 0.5000 0.0351 ( 4946 PWs) bands (ev): -59.9583 -59.9583 -32.5461 -32.5461 -29.3848 -29.3848 -29.3647 -29.3647 -21.3432 -21.3432 -6.6245 -6.6245 -5.6069 -5.6069 -5.1644 -5.1644 -3.9532 -3.9532 -2.9493 -2.9493 -2.6668 -2.6668 5.2713 5.2713 7.7614 7.7614 7.8605 7.8605 8.0824 8.0824 8.1887 8.1887 8.8182 8.8182 9.2911 9.2911 9.9475 9.9475 10.1186 10.1186 10.6954 10.6954 13.2145 13.2145 13.2753 13.2753 13.4528 13.4528 16.5546 16.5546 18.6408 18.6408 k = 0.0263 0.5000 0.0263 ( 4938 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3848 -29.3848 -29.3646 -29.3646 -21.3434 -21.3434 -6.6306 -6.6306 -5.6092 -5.6092 -5.1599 -5.1599 -3.9551 -3.9551 -2.9508 -2.9508 -2.6650 -2.6650 5.2716 5.2716 7.8022 7.8022 7.8862 7.8862 8.0981 8.0981 8.2036 8.2036 8.7711 8.7711 9.2656 9.2656 10.0236 10.0236 10.1447 10.1447 10.6185 10.6185 13.2157 13.2157 13.2556 13.2556 13.4214 13.4214 16.5336 16.5336 18.6308 18.6308 k = 0.0175 0.5000 0.0175 ( 4938 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3645 -29.3645 -21.3436 -21.3436 -6.6349 -6.6349 -5.6109 -5.6109 -5.1566 -5.1566 -3.9565 -3.9565 -2.9518 -2.9518 -2.6637 -2.6637 5.2719 5.2719 7.8314 7.8314 7.9085 7.9085 8.1090 8.1090 8.2144 8.2144 8.7341 8.7341 9.2468 9.2468 10.0898 10.0898 10.1680 10.1680 10.5481 10.5481 13.2166 13.2166 13.2361 13.2361 13.4037 13.4037 16.5184 16.5184 18.6236 18.6236 k = 0.0088 0.5000 0.0088 ( 4938 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3644 -29.3644 -21.3436 -21.3436 -6.6375 -6.6375 -5.6118 -5.6118 -5.1546 -5.1546 -3.9573 -3.9573 -2.9525 -2.9525 -2.6629 -2.6629 5.2720 5.2720 7.8484 7.8484 7.9245 7.9245 8.1154 8.1154 8.2209 8.2209 8.7102 8.7102 9.2353 9.2353 10.1337 10.1337 10.1917 10.1917 10.4923 10.4923 13.2172 13.2172 13.2220 13.2220 13.3951 13.3951 16.5092 16.5092 18.6193 18.6193 k = 0.0000 0.5000-0.0000 ( 4950 PWs) bands (ev): -59.9584 -59.9584 -32.5460 -32.5460 -29.3847 -29.3847 -29.3644 -29.3644 -21.3437 -21.3437 -6.6383 -6.6383 -5.6122 -5.6122 -5.1540 -5.1540 -3.9576 -3.9576 -2.9527 -2.9527 -2.6627 -2.6627 5.2721 5.2721 7.8539 7.8539 7.9304 7.9304 8.1175 8.1175 8.2231 8.2231 8.7019 8.7019 9.2315 9.2315 10.1469 10.1469 10.2059 10.2059 10.4690 10.4690 13.2170 13.2170 13.2174 13.2174 13.3926 13.3926 16.5062 16.5062 18.6179 18.6179 k = 0.5000 0.5000-0.0000 ( 4844 PWs) bands (ev): -59.9580 -59.9580 -32.5509 -32.5509 -29.3928 -29.3928 -29.3728 -29.3728 -21.3263 -21.3263 -5.9219 -5.9219 -5.5658 -5.5658 -5.4895 -5.4895 -3.8011 -3.8011 -2.8310 -2.8310 -2.7508 -2.7508 5.1007 5.1007 5.4373 5.4373 5.8961 5.8961 7.4850 7.4850 7.5250 7.5250 9.0248 9.0248 9.5788 9.5788 9.5944 9.5944 11.0616 11.0616 13.1497 13.1497 13.2454 13.2454 13.6585 13.6585 14.7857 14.7857 19.1302 19.1302 19.1708 19.1708 k = 0.5000 0.5000 0.0122 ( 4868 PWs) bands (ev): -59.9580 -59.9580 -32.5510 -32.5510 -29.3929 -29.3929 -29.3729 -29.3729 -21.3263 -21.3263 -5.9208 -5.9208 -5.5653 -5.5653 -5.4891 -5.4891 -3.8017 -3.8017 -2.8316 -2.8316 -2.7515 -2.7515 5.1007 5.1007 5.4373 5.4373 5.8972 5.8972 7.4830 7.4830 7.5228 7.5228 9.0166 9.0166 9.5821 9.5821 9.5975 9.5975 11.0618 11.0618 13.1505 13.1505 13.2461 13.2461 13.6589 13.6589 14.7947 14.7947 19.1302 19.1302 19.1694 19.1694 k = 0.5000 0.5000 0.0244 ( 4892 PWs) bands (ev): -59.9580 -59.9580 -32.5511 -32.5511 -29.3929 -29.3929 -29.3730 -29.3730 -21.3262 -21.3262 -5.9178 -5.9178 -5.5639 -5.5639 -5.4879 -5.4879 -3.8037 -3.8037 -2.8336 -2.8336 -2.7536 -2.7536 5.1007 5.1007 5.4374 5.4374 5.9006 5.9006 7.4768 7.4768 7.5160 7.5160 8.9921 8.9921 9.5920 9.5920 9.6068 9.6068 11.0621 11.0621 13.1530 13.1530 13.2483 13.2483 13.6602 13.6602 14.8216 14.8216 19.1302 19.1302 19.1652 19.1652 k = 0.5000 0.5000 0.0366 ( 4892 PWs) bands (ev): -59.9580 -59.9580 -32.5511 -32.5511 -29.3929 -29.3929 -29.3731 -29.3731 -21.3261 -21.3261 -5.9126 -5.9126 -5.5615 -5.5615 -5.4858 -5.4858 -3.8069 -3.8069 -2.8369 -2.8369 -2.7571 -2.7571 5.1008 5.1008 5.4375 5.4375 5.9062 5.9062 7.4668 7.4668 7.5048 7.5048 8.9519 8.9519 9.6082 9.6082 9.6221 9.6221 11.0627 11.0627 13.1571 13.1571 13.2520 13.2520 13.6623 13.6623 14.8659 14.8659 19.1302 19.1302 19.1583 19.1583 k = 0.5000 0.5000 0.0488 ( 4892 PWs) bands (ev): -59.9580 -59.9580 -32.5512 -32.5512 -29.3929 -29.3929 -29.3733 -29.3733 -21.3259 -21.3259 -5.9055 -5.9055 -5.5581 -5.5581 -5.4830 -5.4830 -3.8114 -3.8114 -2.8414 -2.8414 -2.7619 -2.7619 5.1010 5.1010 5.4377 5.4377 5.9139 5.9139 7.4531 7.4531 7.4896 7.4896 8.8968 8.8968 9.6305 9.6305 9.6431 9.6431 11.0635 11.0635 13.1629 13.1629 13.2572 13.2572 13.6652 13.6652 14.9266 14.9266 19.1302 19.1302 19.1488 19.1488 k = 0.5000 0.5000 0.0610 ( 4904 PWs) bands (ev): -59.9580 -59.9580 -32.5513 -32.5513 -29.3929 -29.3929 -29.3736 -29.3736 -21.3257 -21.3257 -5.8963 -5.8963 -5.5538 -5.5538 -5.4793 -5.4793 -3.8171 -3.8171 -2.8472 -2.8472 -2.7680 -2.7680 5.1012 5.1012 5.4379 5.4379 5.9238 5.9238 7.4359 7.4359 7.4706 7.4706 8.8280 8.8280 9.6584 9.6584 9.6697 9.6697 11.0645 11.0645 13.1701 13.1701 13.2638 13.2638 13.6690 13.6690 15.0026 15.0026 19.1302 19.1302 19.1367 19.1367 k = 0.5000 0.5000 0.0732 ( 4920 PWs) bands (ev): -59.9580 -59.9580 -32.5514 -32.5514 -29.3929 -29.3929 -29.3739 -29.3739 -21.3254 -21.3254 -5.8852 -5.8852 -5.5485 -5.5485 -5.4749 -5.4749 -3.8241 -3.8241 -2.8542 -2.8542 -2.7755 -2.7755 5.1014 5.1014 5.4381 5.4381 5.9358 5.9358 7.4157 7.4157 7.4482 7.4482 8.7468 8.7468 9.6917 9.6917 9.7013 9.7013 11.0657 11.0657 13.1790 13.1790 13.2719 13.2719 13.6736 13.6736 15.0926 15.0926 19.1221 19.1221 19.1302 19.1302 k = 0.5000 0.5000 0.0854 ( 4920 PWs) bands (ev): -59.9580 -59.9580 -32.5515 -32.5515 -29.3929 -29.3929 -29.3743 -29.3743 -21.3251 -21.3251 -5.8722 -5.8722 -5.5424 -5.5424 -5.4697 -5.4697 -3.8323 -3.8323 -2.8623 -2.8623 -2.7842 -2.7842 5.1017 5.1017 5.4383 5.4383 5.9497 5.9497 7.3927 7.3927 7.4229 7.4229 8.6546 8.6546 9.7297 9.7297 9.7375 9.7375 11.0672 11.0672 13.1893 13.1893 13.2814 13.2814 13.6789 13.6789 15.1952 15.1952 19.1053 19.1053 19.1303 19.1303 k = 0.5000 0.5000 0.0976 ( 4928 PWs) bands (ev): -59.9580 -59.9580 -32.5516 -32.5516 -29.3929 -29.3929 -29.3747 -29.3747 -21.3247 -21.3247 -5.8574 -5.8574 -5.5352 -5.5352 -5.4637 -5.4637 -3.8416 -3.8416 -2.8716 -2.8716 -2.7942 -2.7942 5.1020 5.1020 5.4386 5.4386 5.9656 5.9656 7.3674 7.3674 7.3951 7.3951 8.5528 8.5528 9.7720 9.7720 9.7780 9.7780 11.0688 11.0688 13.2010 13.2010 13.2924 13.2924 13.6850 13.6850 15.3089 15.3089 19.0863 19.0863 19.1303 19.1303 k = 0.5000 0.5000 0.1098 ( 4928 PWs) bands (ev): -59.9579 -59.9579 -32.5517 -32.5517 -29.3928 -29.3928 -29.3751 -29.3751 -21.3243 -21.3243 -5.8407 -5.8407 -5.5272 -5.5272 -5.4570 -5.4570 -3.8521 -3.8521 -2.8820 -2.8820 -2.8054 -2.8054 5.1023 5.1023 5.4388 5.4388 5.9833 5.9833 7.3400 7.3400 7.3651 7.3651 8.4429 8.4429 9.8181 9.8181 9.8221 9.8221 11.0707 11.0707 13.2142 13.2142 13.3048 13.3048 13.6919 13.6919 15.4323 15.4323 19.0654 19.0654 19.1303 19.1303 k = 0.5000 0.5000 0.1220 ( 4944 PWs) bands (ev): -59.9579 -59.9579 -32.5519 -32.5519 -29.3928 -29.3928 -29.3757 -29.3757 -21.3239 -21.3239 -5.8224 -5.8224 -5.5183 -5.5183 -5.4496 -5.4496 -3.8637 -3.8637 -2.8934 -2.8934 -2.8177 -2.8177 5.1027 5.1027 5.4389 5.4389 6.0027 6.0027 7.3111 7.3111 7.3335 7.3335 8.3262 8.3262 9.8674 9.8674 9.8696 9.8696 11.0727 11.0727 13.2288 13.2288 13.3186 13.3186 13.6994 13.6994 15.5639 15.5639 19.0427 19.0427 19.1303 19.1303 k = 0.5000 0.5000 0.1341 ( 4940 PWs) bands (ev): -59.9579 -59.9579 -32.5520 -32.5520 -29.3928 -29.3928 -29.3762 -29.3762 -21.3234 -21.3234 -5.8024 -5.8024 -5.5086 -5.5086 -5.4415 -5.4415 -3.8763 -3.8763 -2.9057 -2.9057 -2.8311 -2.8311 5.1031 5.1031 5.4390 5.4390 6.0237 6.0237 7.2809 7.2809 7.3005 7.3005 8.2039 8.2039 9.9195 9.9195 9.9198 9.9198 11.0749 11.0749 13.2448 13.2448 13.3337 13.3337 13.7077 13.7077 15.7023 15.7023 19.0185 19.0185 19.1304 19.1304 k = 0.5000 0.5000 0.1463 ( 4940 PWs) bands (ev): -59.9579 -59.9579 -32.5522 -32.5522 -29.3927 -29.3927 -29.3767 -29.3767 -21.3229 -21.3229 -5.7809 -5.7809 -5.4980 -5.4980 -5.4327 -5.4327 -3.8899 -3.8899 -2.9189 -2.9189 -2.8455 -2.8455 5.1036 5.1036 5.4389 5.4389 6.0461 6.0461 7.2497 7.2497 7.2666 7.2666 8.0774 8.0774 9.9724 9.9724 9.9739 9.9739 11.0773 11.0773 13.2621 13.2621 13.3502 13.3502 13.7166 13.7166 15.8462 15.8462 18.9930 18.9930 19.1304 19.1304 k = 0.5000 0.5000 0.1585 ( 4948 PWs) bands (ev): -59.9579 -59.9579 -32.5524 -32.5524 -29.3927 -29.3927 -29.3773 -29.3773 -21.3223 -21.3223 -5.7579 -5.7579 -5.4865 -5.4865 -5.4233 -5.4233 -3.9045 -3.9045 -2.9328 -2.9328 -2.8609 -2.8609 5.1040 5.1040 5.4388 5.4388 6.0698 6.0698 7.2178 7.2178 7.2320 7.2320 7.9478 7.9478 10.0270 10.0270 10.0301 10.0301 11.0798 11.0798 13.2808 13.2808 13.3680 13.3680 13.7261 13.7261 15.9945 15.9945 18.9664 18.9664 19.1304 19.1304 k = 0.5000 0.5000 0.1707 ( 4948 PWs) bands (ev): -59.9579 -59.9579 -32.5525 -32.5525 -29.3926 -29.3926 -29.3779 -29.3779 -21.3218 -21.3218 -5.7336 -5.7336 -5.4743 -5.4743 -5.4132 -5.4132 -3.9200 -3.9200 -2.9475 -2.9475 -2.8771 -2.8771 5.1045 5.1045 5.4384 5.4384 6.0947 6.0947 7.1855 7.1855 7.1971 7.1971 7.8160 7.8160 10.0831 10.0831 10.0878 10.0878 11.0824 11.0824 13.3007 13.3007 13.3871 13.3871 13.7362 13.7362 16.1459 16.1459 18.9390 18.9390 19.1304 19.1304 k = 0.5000 0.5000 0.1829 ( 4940 PWs) bands (ev): -59.9579 -59.9579 -32.5527 -32.5527 -29.3926 -29.3926 -29.3785 -29.3785 -21.3212 -21.3212 -5.7081 -5.7081 -5.4613 -5.4613 -5.4026 -5.4026 -3.9363 -3.9363 -2.9628 -2.9628 -2.8942 -2.8942 5.1050 5.1050 5.4378 5.4378 6.1207 6.1207 7.1530 7.1530 7.1621 7.1621 7.6830 7.6830 10.1404 10.1404 10.1465 10.1465 11.0851 11.0851 13.3218 13.3218 13.4074 13.4074 13.7469 13.7469 16.2995 16.2995 18.9111 18.9111 19.1305 19.1305 k = 0.5000 0.5000 0.1951 ( 4928 PWs) bands (ev): -59.9579 -59.9579 -32.5528 -32.5528 -29.3925 -29.3925 -29.3792 -29.3792 -21.3206 -21.3206 -5.6815 -5.6815 -5.4475 -5.4475 -5.3914 -5.3914 -3.9534 -3.9534 -2.9787 -2.9787 -2.9119 -2.9119 5.1055 5.1055 5.4368 5.4368 6.1475 6.1475 7.1204 7.1204 7.1272 7.1272 7.5499 7.5499 10.1984 10.1984 10.2059 10.2059 11.0880 11.0880 13.3441 13.3441 13.4288 13.4288 13.7580 13.7580 16.4541 16.4541 18.8829 18.8829 19.1305 19.1305 k = 0.5000 0.5000 0.2073 ( 4936 PWs) bands (ev): -59.9578 -59.9578 -32.5531 -32.5531 -29.3925 -29.3925 -29.3799 -29.3799 -21.3199 -21.3199 -5.6539 -5.6539 -5.4330 -5.4330 -5.3797 -5.3797 -3.9712 -3.9712 -2.9950 -2.9950 -2.9303 -2.9303 5.1061 5.1061 5.4356 5.4356 6.1750 6.1750 7.0879 7.0879 7.0926 7.0926 7.4174 7.4174 10.2568 10.2568 10.2655 10.2655 11.0909 11.0909 13.3675 13.3675 13.4514 13.4514 13.7696 13.7696 16.6089 16.6089 18.8546 18.8546 19.1304 19.1304 k = 0.5000 0.5000 0.2195 ( 4928 PWs) bands (ev): -59.9578 -59.9578 -32.5532 -32.5532 -29.3924 -29.3924 -29.3805 -29.3805 -21.3193 -21.3193 -5.6256 -5.6256 -5.4179 -5.4179 -5.3676 -5.3676 -3.9897 -3.9897 -3.0116 -3.0116 -2.9493 -2.9493 5.1066 5.1066 5.4338 5.4338 6.2030 6.2030 7.0553 7.0553 7.0586 7.0586 7.2867 7.2867 10.3153 10.3153 10.3252 10.3252 11.0939 11.0939 13.3920 13.3920 13.4749 13.4749 13.7816 13.7816 16.7629 16.7629 18.8267 18.8267 19.1304 19.1304 k = 0.5000 0.5000 0.2317 ( 4928 PWs) bands (ev): -59.9578 -59.9578 -32.5534 -32.5534 -29.3923 -29.3923 -29.3812 -29.3812 -21.3186 -21.3186 -5.5966 -5.5966 -5.4022 -5.4022 -5.3550 -5.3550 -4.0087 -4.0087 -3.0285 -3.0285 -2.9687 -2.9687 5.1071 5.1071 5.4315 5.4315 6.2314 6.2314 7.0217 7.0217 7.0252 7.0252 7.1596 7.1596 10.3736 10.3736 10.3844 10.3844 11.0970 11.0970 13.4175 13.4175 13.4993 13.4993 13.7941 13.7941 16.9151 16.9151 18.7994 18.7994 19.1303 19.1303 k = 0.5000 0.5000 0.2439 ( 4904 PWs) bands (ev): -59.9578 -59.9578 -32.5536 -32.5536 -29.3922 -29.3922 -29.3819 -29.3819 -21.3180 -21.3180 -5.5672 -5.5672 -5.3859 -5.3859 -5.3421 -5.3421 -4.0283 -4.0283 -3.0456 -3.0456 -2.9884 -2.9884 5.1077 5.1077 5.4286 5.4286 6.2600 6.2600 6.9796 6.9796 6.9927 6.9927 7.0443 7.0443 10.4314 10.4314 10.4430 10.4430 11.1001 11.1001 13.4438 13.4438 13.5244 13.5244 13.8068 13.8068 17.0647 17.0647 18.7732 18.7732 19.1300 19.1300 k = 0.5000 0.5000 0.2561 ( 4904 PWs) bands (ev): -59.9578 -59.9578 -32.5538 -32.5538 -29.3922 -29.3922 -29.3826 -29.3826 -21.3173 -21.3173 -5.5375 -5.5375 -5.3691 -5.3691 -5.3288 -5.3288 -4.0483 -4.0483 -3.0627 -3.0627 -3.0084 -3.0084 5.1083 5.1083 5.4249 5.4249 6.2887 6.2887 6.8910 6.8910 6.9611 6.9611 6.9797 6.9797 10.4883 10.4883 10.5006 10.5006 11.1032 11.1032 13.4709 13.4709 13.5502 13.5502 13.8199 13.8199 17.2107 17.2107 18.7484 18.7484 19.1293 19.1293 k = 0.5000 0.5000 0.2683 ( 4912 PWs) bands (ev): -59.9578 -59.9578 -32.5540 -32.5540 -29.3921 -29.3921 -29.3833 -29.3833 -21.3166 -21.3166 -5.5078 -5.5078 -5.3518 -5.3518 -5.3152 -5.3152 -4.0687 -4.0687 -3.0798 -3.0798 -3.0284 -3.0284 5.1088 5.1088 5.4202 5.4202 6.3172 6.3172 6.7768 6.7768 6.9306 6.9306 6.9456 6.9456 10.5441 10.5441 10.5570 10.5570 11.1063 11.1063 13.4986 13.4986 13.5765 13.5765 13.8332 13.8332 17.3521 17.3521 18.7256 18.7256 19.1258 19.1258 k = 0.5000 0.5000 0.2805 ( 4904 PWs) bands (ev): -59.9578 -59.9578 -32.5542 -32.5542 -29.3921 -29.3921 -29.3840 -29.3840 -21.3160 -21.3160 -5.4781 -5.4781 -5.3342 -5.3342 -5.3014 -5.3014 -4.0894 -4.0894 -3.0967 -3.0967 -3.0486 -3.0486 5.1094 5.1094 5.4143 5.4143 6.3454 6.3454 6.6634 6.6634 6.9013 6.9013 6.9165 6.9165 10.5986 10.5986 10.6120 10.6120 11.1094 11.1094 13.5269 13.5269 13.6031 13.6031 13.8468 13.8468 17.4878 17.4878 18.7055 18.7055 19.0765 19.0765 k = 0.5000 0.5000 0.2927 ( 4904 PWs) bands (ev): -59.9578 -59.9578 -32.5543 -32.5543 -29.3920 -29.3920 -29.3847 -29.3847 -21.3153 -21.3153 -5.4488 -5.4488 -5.3162 -5.3162 -5.2873 -5.2873 -4.1102 -4.1102 -3.1134 -3.1134 -3.0686 -3.0686 5.1099 5.1099 5.4071 5.4071 6.3731 6.3731 6.5543 6.5543 6.8732 6.8732 6.8895 6.8895 10.6515 10.6515 10.6652 10.6652 11.1124 11.1124 13.5556 13.5556 13.6298 13.6298 13.8606 13.8606 17.6164 17.6164 18.6889 18.6889 18.9952 18.9952 k = 0.5000 0.5000 0.3049 ( 4888 PWs) bands (ev): -59.9577 -59.9577 -32.5545 -32.5545 -29.3919 -29.3919 -29.3853 -29.3853 -21.3147 -21.3147 -5.4201 -5.4201 -5.2980 -5.2980 -5.2730 -5.2730 -4.1312 -4.1312 -3.1298 -3.1298 -3.0883 -3.0883 5.1104 5.1104 5.3983 5.3983 6.4002 6.4002 6.4507 6.4507 6.8464 6.8464 6.8640 6.8640 10.7025 10.7025 10.7165 10.7165 11.1154 11.1154 13.5844 13.5844 13.6563 13.6563 13.8746 13.8746 17.7365 17.7365 18.6770 18.6770 18.9148 18.9148 k = 0.5000 0.5000 0.3171 ( 4888 PWs) bands (ev): -59.9577 -59.9577 -32.5547 -32.5547 -29.3919 -29.3919 -29.3860 -29.3860 -21.3141 -21.3141 -5.3923 -5.3923 -5.2797 -5.2797 -5.2585 -5.2585 -4.1521 -4.1521 -3.1457 -3.1457 -3.1078 -3.1078 5.1109 5.1109 5.3875 5.3875 6.3537 6.3537 6.4265 6.4265 6.8210 6.8210 6.8400 6.8400 10.7514 10.7514 10.7656 10.7656 11.1183 11.1183 13.6132 13.6132 13.6825 13.6825 13.8888 13.8888 17.8461 17.8461 18.6712 18.6712 18.8372 18.8372 k = 0.5000 0.5000 0.3293 ( 4884 PWs) bands (ev): -59.9577 -59.9577 -32.5548 -32.5548 -29.3918 -29.3918 -29.3866 -29.3866 -21.3135 -21.3135 -5.3656 -5.3656 -5.2613 -5.2613 -5.2438 -5.2438 -4.1729 -4.1729 -3.1611 -3.1611 -3.1268 -3.1268 5.1114 5.1114 5.3747 5.3747 6.2638 6.2638 6.4518 6.4518 6.7971 6.7971 6.8174 6.8174 10.7981 10.7981 10.8124 10.8124 11.1211 11.1211 13.6419 13.6419 13.7080 13.7080 13.9032 13.9032 17.9431 17.9431 18.6733 18.6733 18.7628 18.7628 k = 0.5000 0.5000 0.3415 ( 4880 PWs) bands (ev): -59.9577 -59.9577 -32.5550 -32.5550 -29.3918 -29.3918 -29.3872 -29.3872 -21.3129 -21.3129 -5.3403 -5.3403 -5.2430 -5.2430 -5.2290 -5.2290 -4.1935 -4.1935 -3.1759 -3.1759 -3.1452 -3.1452 5.1119 5.1119 5.3594 5.3594 6.1817 6.1817 6.4760 6.4760 6.7747 6.7747 6.7963 6.7963 10.8424 10.8424 10.8567 10.8567 11.1238 11.1238 13.6702 13.6702 13.7326 13.7326 13.9179 13.9179 18.0251 18.0251 18.6853 18.6853 18.6919 18.6919 k = 0.5000 0.5000 0.3537 ( 4872 PWs) bands (ev): -59.9577 -59.9577 -32.5552 -32.5552 -29.3917 -29.3917 -29.3878 -29.3878 -21.3124 -21.3124 -5.3166 -5.3166 -5.2249 -5.2249 -5.2140 -5.2140 -4.2137 -4.2137 -3.1899 -3.1899 -3.1628 -3.1628 5.1123 5.1123 5.3415 5.3415 6.1079 6.1079 6.4989 6.4989 6.7539 6.7539 6.7766 6.7766 10.8840 10.8840 10.8983 10.8983 11.1265 11.1265 13.6978 13.6978 13.7559 13.7559 13.9326 13.9326 18.0904 18.0904 18.6248 18.6248 18.6323 18.6323 k = 0.5000 0.5000 0.3659 ( 4880 PWs) bands (ev): -59.9577 -59.9577 -32.5553 -32.5553 -29.3916 -29.3916 -29.3883 -29.3883 -21.3119 -21.3119 -5.2948 -5.2948 -5.2072 -5.2072 -5.1990 -5.1990 -4.2334 -4.2334 -3.2032 -3.2032 -3.1797 -3.1797 5.1128 5.1128 5.3211 5.3211 6.0427 6.0427 6.5204 6.5204 6.7348 6.7348 6.7583 6.7583 10.9228 10.9228 10.9370 10.9370 11.1289 11.1289 13.7245 13.7245 13.7777 13.7777 13.9475 13.9475 18.1387 18.1387 18.5618 18.5618 18.5683 18.5683 k = 0.5000 0.5000 0.3780 ( 4880 PWs) bands (ev): -59.9577 -59.9577 -32.5555 -32.5555 -29.3916 -29.3916 -29.3888 -29.3888 -21.3114 -21.3114 -5.2751 -5.2751 -5.1899 -5.1899 -5.1839 -5.1839 -4.2525 -4.2525 -3.2156 -3.2156 -3.1955 -3.1955 5.1132 5.1132 5.2983 5.2983 5.9863 5.9863 6.5404 6.5404 6.7173 6.7173 6.7416 6.7416 10.9587 10.9587 10.9729 10.9729 11.1313 11.1313 13.7501 13.7501 13.7978 13.7978 13.9625 13.9625 18.1717 18.1717 18.5032 18.5032 18.5088 18.5088 k = 0.5000 0.5000 0.3902 ( 4880 PWs) bands (ev): -59.9577 -59.9577 -32.5556 -32.5556 -29.3916 -29.3916 -29.3893 -29.3893 -21.3109 -21.3109 -5.2576 -5.2576 -5.1734 -5.1734 -5.1689 -5.1689 -4.2706 -4.2706 -3.2270 -3.2270 -3.2103 -3.2103 5.1135 5.1135 5.2737 5.2737 5.9384 5.9384 6.5585 6.5585 6.7017 6.7017 6.7264 6.7264 10.9915 10.9915 11.0056 11.0056 11.1334 11.1334 13.7744 13.7744 13.8160 13.8160 13.9772 13.9772 18.1924 18.1924 18.4491 18.4491 18.4539 18.4539 k = 0.5000 0.5000 0.4024 ( 4880 PWs) bands (ev): -59.9576 -59.9576 -32.5557 -32.5557 -29.3915 -29.3915 -29.3897 -29.3897 -21.3105 -21.3105 -5.2423 -5.2423 -5.1577 -5.1577 -5.1544 -5.1544 -4.2877 -4.2877 -3.2375 -3.2375 -3.2239 -3.2239 5.1139 5.1139 5.2480 5.2480 5.8984 5.8984 6.5747 6.5747 6.6881 6.6881 6.7127 6.7127 11.0211 11.0211 11.0352 11.0352 11.1355 11.1355 13.7969 13.7969 13.8321 13.8321 13.9917 13.9917 18.2042 18.2042 18.3999 18.3999 18.4040 18.4040 k = 0.5000 0.5000 0.4146 ( 4880 PWs) bands (ev): -59.9576 -59.9576 -32.5558 -32.5558 -29.3915 -29.3915 -29.3901 -29.3901 -21.3102 -21.3102 -5.2291 -5.2291 -5.1431 -5.1431 -5.1407 -5.1407 -4.3036 -4.3036 -3.2468 -3.2468 -3.2362 -3.2362 5.1141 5.1141 5.2221 5.2221 5.8658 5.8658 6.5886 6.5886 6.6765 6.6765 6.7006 6.7006 11.0473 11.0473 11.0614 11.0614 11.1374 11.1374 13.8176 13.8176 13.8462 13.8462 14.0055 14.0055 18.2101 18.2101 18.3558 18.3558 18.3593 18.3593 k = 0.5000 0.5000 0.4268 ( 4868 PWs) bands (ev): -59.9576 -59.9576 -32.5559 -32.5559 -29.3915 -29.3915 -29.3904 -29.3904 -21.3099 -21.3099 -5.2178 -5.2178 -5.1298 -5.1298 -5.1280 -5.1280 -4.3180 -4.3180 -3.2550 -3.2550 -3.2471 -3.2471 5.1144 5.1144 5.1971 5.1971 5.8397 5.8397 6.5999 6.5999 6.6675 6.6675 6.6901 6.6901 11.0702 11.0702 11.0844 11.0844 11.1392 11.1392 13.8360 13.8360 13.8582 13.8582 14.0184 14.0184 18.2124 18.2124 18.3170 18.3170 18.3200 18.3200 k = 0.5000 0.5000 0.4390 ( 4868 PWs) bands (ev): -59.9576 -59.9576 -32.5560 -32.5560 -29.3915 -29.3915 -29.3907 -29.3907 -21.3096 -21.3096 -5.2085 -5.2085 -5.1180 -5.1180 -5.1167 -5.1167 -4.3307 -4.3307 -3.2621 -3.2621 -3.2565 -3.2565 5.1146 5.1146 5.1741 5.1741 5.8191 5.8191 6.6080 6.6080 6.6613 6.6613 6.6812 6.6812 11.0894 11.0894 11.1039 11.1039 11.1409 11.1409 13.8521 13.8521 13.8682 13.8682 14.0300 14.0300 18.2124 18.2124 18.2838 18.2838 18.2863 18.2863 k = 0.5000 0.5000 0.4512 ( 4868 PWs) bands (ev): -59.9576 -59.9576 -32.5560 -32.5560 -29.3914 -29.3914 -29.3909 -29.3909 -21.3094 -21.3094 -5.2010 -5.2010 -5.1080 -5.1080 -5.1071 -5.1071 -4.3415 -4.3415 -3.2679 -3.2679 -3.2643 -3.2643 5.1148 5.1148 5.1539 5.1539 5.8034 5.8034 6.6126 6.6126 6.6584 6.6584 6.6739 6.6739 11.1050 11.1050 11.1199 11.1199 11.1426 11.1426 13.8656 13.8656 13.8763 13.8763 14.0400 14.0400 18.2114 18.2114 18.2563 18.2563 18.2585 18.2585 k = 0.5000 0.5000 0.4634 ( 4884 PWs) bands (ev): -59.9576 -59.9576 -32.5561 -32.5561 -29.3915 -29.3915 -29.3911 -29.3911 -21.3092 -21.3092 -5.1952 -5.1952 -5.0999 -5.0999 -5.0994 -5.0994 -4.3501 -4.3501 -3.2725 -3.2725 -3.2704 -3.2704 5.1150 5.1150 5.1374 5.1374 5.7918 5.7918 6.6143 6.6143 6.6581 6.6581 6.6682 6.6682 11.1166 11.1166 11.1324 11.1324 11.1444 11.1444 13.8763 13.8763 13.8825 13.8825 14.0481 14.0481 18.2100 18.2100 18.2348 18.2348 18.2367 18.2367 k = 0.5000 0.5000 0.4756 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3913 -29.3913 -21.3091 -21.3091 -5.1911 -5.1911 -5.0940 -5.0940 -5.0938 -5.0938 -4.3564 -4.3564 -3.2758 -3.2758 -3.2748 -3.2748 5.1151 5.1151 5.1252 5.1252 5.7839 5.7839 6.6142 6.6142 6.6592 6.6592 6.6641 6.6641 11.1244 11.1244 11.1414 11.1414 11.1463 11.1463 13.8840 13.8840 13.8868 13.8868 14.0540 14.0540 18.2087 18.2087 18.2193 18.2193 18.2210 18.2210 k = 0.5000 0.5000 0.4878 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3090 -21.3090 -5.1887 -5.1887 -5.0904 -5.0904 -5.0903 -5.0903 -4.3603 -4.3603 -3.2777 -3.2777 -3.2775 -3.2775 5.1151 5.1151 5.1177 5.1177 5.7793 5.7793 6.6136 6.6136 6.6604 6.6604 6.6616 6.6616 11.1285 11.1285 11.1468 11.1468 11.1479 11.1479 13.8887 13.8887 13.8894 13.8894 14.0577 14.0577 18.2076 18.2076 18.2100 18.2100 18.2117 18.2117 k = 0.5000 0.5000 0.5000 ( 4896 PWs) bands (ev): -59.9576 -59.9576 -32.5562 -32.5562 -29.3914 -29.3914 -29.3914 -29.3914 -21.3090 -21.3090 -5.1879 -5.1879 -5.0892 -5.0892 -5.0892 -5.0892 -4.3616 -4.3616 -3.2784 -3.2784 -3.2784 -3.2784 5.1151 5.1151 5.1151 5.1151 5.7778 5.7778 6.6134 6.6134 6.6608 6.6608 6.6608 6.6608 11.1298 11.1298 11.1486 11.1486 11.1486 11.1486 13.8903 13.8903 13.8903 13.8903 14.0589 14.0589 18.2069 18.2069 18.2069 18.2069 18.2090 18.2090 Writing output data file SrRuO3.save init_run : 0.15s CPU 0.27s WALL ( 1 calls) electrons : 158.96s CPU 161.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 158.95s CPU 161.20s 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 : 0.06s CPU 0.07s WALL ( 313 calls) cegterg : 146.68s CPU 148.47s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 86.17s CPU 87.30s WALL ( 6719 calls) s_psi : 2.54s CPU 2.62s WALL ( 6719 calls) g_psi : 0.30s CPU 0.25s WALL ( 6028 calls) cdiaghg : 50.43s CPU 51.32s WALL ( 6341 calls) cegterg:over : 6.54s CPU 6.36s WALL ( 6028 calls) cegterg:upda : 5.60s CPU 5.62s WALL ( 6028 calls) cegterg:last : 2.71s CPU 2.77s WALL ( 1004 calls) cdiaghg:chol : 2.90s CPU 2.93s WALL ( 6341 calls) cdiaghg:inve : 1.84s CPU 1.98s WALL ( 6341 calls) cdiaghg:para : 3.24s CPU 3.18s WALL ( 12682 calls) Called by h_psi: h_psi:vloc : 77.81s CPU 78.95s WALL ( 6719 calls) h_psi:vnl : 8.14s CPU 8.10s WALL ( 6719 calls) add_vuspsi : 3.86s CPU 3.95s WALL ( 6719 calls) General routines calbec : 4.26s CPU 4.13s WALL ( 6719 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.87s CPU 75.03s WALL ( 712588 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.23s WALL ( 626 calls) Parallel routines fft_scatter : 25.23s CPU 25.14s WALL ( 712611 calls) PWSCF : 2m55.30s CPU 3m11.76s WALL This run was terminated on: 21: 2: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=