Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:29:11 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: ./SrHfO3.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 42 24 7 1241 554 93 Max 44 25 8 1244 583 96 Sum 1533 885 277 44713 20341 3407 bravais-lattice index = 14 lattice parameter (alat) = 7.6893 a.u. unit-cell volume = 454.6316 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.689295 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Hf 12.00 178.49000 Hf( 1.00) O 6.00 15.99940 O( 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= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0033333 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0033333 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0033333 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0033333 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0033333 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033333 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0033333 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0033333 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0033333 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0033333 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0033333 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0033333 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0033333 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0033333 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0033333 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0033333 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0033333 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0033333 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033333 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0033333 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0033333 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0033333 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0033333 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0033333 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0033333 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0033333 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0033333 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0033333 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0033333 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0033333 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0033333 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0033333 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0033333 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0033333 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0033333 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0033333 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0033333 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0033333 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0033333 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0033333 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0033333 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0033333 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0033333 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033333 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0033333 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0033333 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0033333 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0033333 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0033333 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0033333 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0033333 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0033333 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0033333 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0033333 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0033333 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0033333 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0033333 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0033333 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0033333 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0033333 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0033333 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0033333 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0033333 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0033333 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0033333 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0033333 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0033333 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0033333 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0033333 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0033333 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0033333 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0033333 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0033333 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0033333 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0033333 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0033333 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0033333 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0033333 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0033333 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0033333 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0033333 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0033333 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0033333 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033333 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0033333 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0033333 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0033333 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0033333 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0033333 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0033333 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0033333 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0033333 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0033333 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0033333 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033333 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0033333 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0033333 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0033333 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0033333 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0033333 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0033333 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0033333 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0033333 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0033333 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0033333 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033333 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0033333 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0033333 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0033333 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0033333 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0033333 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0033333 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0033333 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0033333 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0033333 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 138) = ( 0.0074627 0.0074627 0.0074627), wk = 0.0033333 k( 139) = ( 0.0149254 0.0149254 0.0149254), wk = 0.0033333 k( 140) = ( 0.0223881 0.0223881 0.0223881), wk = 0.0033333 k( 141) = ( 0.0298507 0.0298507 0.0298507), wk = 0.0033333 k( 142) = ( 0.0373134 0.0373134 0.0373134), wk = 0.0033333 k( 143) = ( 0.0447761 0.0447761 0.0447761), wk = 0.0033333 k( 144) = ( 0.0522388 0.0522388 0.0522388), wk = 0.0033333 k( 145) = ( 0.0597015 0.0597015 0.0597015), wk = 0.0033333 k( 146) = ( 0.0671642 0.0671642 0.0671642), wk = 0.0033333 k( 147) = ( 0.0746269 0.0746269 0.0746269), wk = 0.0033333 k( 148) = ( 0.0820895 0.0820895 0.0820895), wk = 0.0033333 k( 149) = ( 0.0895522 0.0895522 0.0895522), wk = 0.0033333 k( 150) = ( 0.0970149 0.0970149 0.0970149), wk = 0.0033333 k( 151) = ( 0.1044776 0.1044776 0.1044776), wk = 0.0033333 k( 152) = ( 0.1119403 0.1119403 0.1119403), wk = 0.0033333 k( 153) = ( 0.1194030 0.1194030 0.1194030), wk = 0.0033333 k( 154) = ( 0.1268657 0.1268657 0.1268657), wk = 0.0033333 k( 155) = ( 0.1343284 0.1343284 0.1343284), wk = 0.0033333 k( 156) = ( 0.1417910 0.1417910 0.1417910), wk = 0.0033333 k( 157) = ( 0.1492537 0.1492537 0.1492537), wk = 0.0033333 k( 158) = ( 0.1567164 0.1567164 0.1567164), wk = 0.0033333 k( 159) = ( 0.1641791 0.1641791 0.1641791), wk = 0.0033333 k( 160) = ( 0.1716418 0.1716418 0.1716418), wk = 0.0033333 k( 161) = ( 0.1791045 0.1791045 0.1791045), wk = 0.0033333 k( 162) = ( 0.1865672 0.1865672 0.1865672), wk = 0.0033333 k( 163) = ( 0.1940299 0.1940298 0.1940298), wk = 0.0033333 k( 164) = ( 0.2014925 0.2014925 0.2014925), wk = 0.0033333 k( 165) = ( 0.2089552 0.2089552 0.2089552), wk = 0.0033333 k( 166) = ( 0.2164179 0.2164179 0.2164179), wk = 0.0033333 k( 167) = ( 0.2238806 0.2238806 0.2238806), wk = 0.0033333 k( 168) = ( 0.2313433 0.2313433 0.2313433), wk = 0.0033333 k( 169) = ( 0.2388060 0.2388060 0.2388060), wk = 0.0033333 k( 170) = ( 0.2462687 0.2462687 0.2462687), wk = 0.0033333 k( 171) = ( 0.2537313 0.2537313 0.2537313), wk = 0.0033333 k( 172) = ( 0.2611940 0.2611940 0.2611940), wk = 0.0033333 k( 173) = ( 0.2686567 0.2686567 0.2686567), wk = 0.0033333 k( 174) = ( 0.2761194 0.2761194 0.2761194), wk = 0.0033333 k( 175) = ( 0.2835821 0.2835821 0.2835821), wk = 0.0033333 k( 176) = ( 0.2910448 0.2910448 0.2910448), wk = 0.0033333 k( 177) = ( 0.2985075 0.2985075 0.2985075), wk = 0.0033333 k( 178) = ( 0.3059701 0.3059701 0.3059701), wk = 0.0033333 k( 179) = ( 0.3134328 0.3134328 0.3134328), wk = 0.0033333 k( 180) = ( 0.3208955 0.3208955 0.3208955), wk = 0.0033333 k( 181) = ( 0.3283582 0.3283582 0.3283582), wk = 0.0033333 k( 182) = ( 0.3358209 0.3358209 0.3358209), wk = 0.0033333 k( 183) = ( 0.3432836 0.3432836 0.3432836), wk = 0.0033333 k( 184) = ( 0.3507463 0.3507463 0.3507463), wk = 0.0033333 k( 185) = ( 0.3582090 0.3582090 0.3582090), wk = 0.0033333 k( 186) = ( 0.3656716 0.3656716 0.3656716), wk = 0.0033333 k( 187) = ( 0.3731343 0.3731343 0.3731343), wk = 0.0033333 k( 188) = ( 0.3805970 0.3805970 0.3805970), wk = 0.0033333 k( 189) = ( 0.3880597 0.3880597 0.3880597), wk = 0.0033333 k( 190) = ( 0.3955224 0.3955224 0.3955224), wk = 0.0033333 k( 191) = ( 0.4029851 0.4029851 0.4029851), wk = 0.0033333 k( 192) = ( 0.4104478 0.4104478 0.4104478), wk = 0.0033333 k( 193) = ( 0.4179104 0.4179104 0.4179104), wk = 0.0033333 k( 194) = ( 0.4253731 0.4253731 0.4253731), wk = 0.0033333 k( 195) = ( 0.4328358 0.4328358 0.4328358), wk = 0.0033333 k( 196) = ( 0.4402985 0.4402985 0.4402985), wk = 0.0033333 k( 197) = ( 0.4477612 0.4477612 0.4477612), wk = 0.0033333 k( 198) = ( 0.4552239 0.4552239 0.4552239), wk = 0.0033333 k( 199) = ( 0.4626866 0.4626866 0.4626866), wk = 0.0033333 k( 200) = ( 0.4701493 0.4701492 0.4701492), wk = 0.0033333 k( 201) = ( 0.4776119 0.4776119 0.4776119), wk = 0.0033333 k( 202) = ( 0.4850746 0.4850746 0.4850746), wk = 0.0033333 k( 203) = ( 0.4925373 0.4925373 0.4925373), wk = 0.0033333 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 206) = ( 0.4909091 0.5000000 0.4909091), wk = 0.0033333 k( 207) = ( 0.4818182 0.5000000 0.4818182), wk = 0.0033333 k( 208) = ( 0.4727273 0.5000000 0.4727273), wk = 0.0033333 k( 209) = ( 0.4636364 0.5000000 0.4636364), wk = 0.0033333 k( 210) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0033333 k( 211) = ( 0.4454546 0.5000000 0.4454545), wk = 0.0033333 k( 212) = ( 0.4363636 0.5000000 0.4363636), wk = 0.0033333 k( 213) = ( 0.4272727 0.5000000 0.4272727), wk = 0.0033333 k( 214) = ( 0.4181818 0.5000000 0.4181818), wk = 0.0033333 k( 215) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0033333 k( 216) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0033333 k( 217) = ( 0.3909091 0.5000000 0.3909091), wk = 0.0033333 k( 218) = ( 0.3818182 0.5000000 0.3818182), wk = 0.0033333 k( 219) = ( 0.3727273 0.5000000 0.3727273), wk = 0.0033333 k( 220) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0033333 k( 221) = ( 0.3545454 0.5000000 0.3545454), wk = 0.0033333 k( 222) = ( 0.3454546 0.5000000 0.3454545), wk = 0.0033333 k( 223) = ( 0.3363636 0.5000000 0.3363636), wk = 0.0033333 k( 224) = ( 0.3272727 0.5000000 0.3272727), wk = 0.0033333 k( 225) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0033333 k( 226) = ( 0.3090909 0.5000000 0.3090909), wk = 0.0033333 k( 227) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0033333 k( 228) = ( 0.2909091 0.5000000 0.2909091), wk = 0.0033333 k( 229) = ( 0.2818182 0.5000000 0.2818182), wk = 0.0033333 k( 230) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0033333 k( 231) = ( 0.2636364 0.5000000 0.2636364), wk = 0.0033333 k( 232) = ( 0.2545455 0.5000000 0.2545454), wk = 0.0033333 k( 233) = ( 0.2454545 0.5000000 0.2454545), wk = 0.0033333 k( 234) = ( 0.2363636 0.5000000 0.2363636), wk = 0.0033333 k( 235) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0033333 k( 236) = ( 0.2181818 0.5000000 0.2181818), wk = 0.0033333 k( 237) = ( 0.2090909 0.5000000 0.2090909), wk = 0.0033333 k( 238) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0033333 k( 239) = ( 0.1909091 0.5000000 0.1909091), wk = 0.0033333 k( 240) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0033333 k( 241) = ( 0.1727273 0.5000000 0.1727273), wk = 0.0033333 k( 242) = ( 0.1636364 0.5000000 0.1636364), wk = 0.0033333 k( 243) = ( 0.1545455 0.5000000 0.1545454), wk = 0.0033333 k( 244) = ( 0.1454545 0.5000000 0.1454545), wk = 0.0033333 k( 245) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0033333 k( 246) = ( 0.1272727 0.5000000 0.1272727), wk = 0.0033333 k( 247) = ( 0.1181818 0.5000000 0.1181818), wk = 0.0033333 k( 248) = ( 0.1090909 0.5000000 0.1090909), wk = 0.0033333 k( 249) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0033333 k( 250) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0033333 k( 251) = ( 0.0818182 0.5000000 0.0818182), wk = 0.0033333 k( 252) = ( 0.0727273 0.5000000 0.0727273), wk = 0.0033333 k( 253) = ( 0.0636364 0.5000000 0.0636364), wk = 0.0033333 k( 254) = ( 0.0545455 0.5000000 0.0545454), wk = 0.0033333 k( 255) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0033333 k( 256) = ( 0.0363636 0.5000000 0.0363636), wk = 0.0033333 k( 257) = ( 0.0272727 0.5000000 0.0272727), wk = 0.0033333 k( 258) = ( 0.0181818 0.5000000 0.0181818), wk = 0.0033333 k( 259) = ( 0.0090909 0.5000000 0.0090909), wk = 0.0033333 k( 260) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 261) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 262) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033333 k( 263) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033333 k( 264) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033333 k( 265) = ( 0.5000000 0.5000000 0.0512820), wk = 0.0033333 k( 266) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033333 k( 267) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033333 k( 268) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033333 k( 269) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033333 k( 270) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033333 k( 271) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033333 k( 272) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033333 k( 273) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033333 k( 274) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033333 k( 275) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033333 k( 276) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033333 k( 277) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033333 k( 278) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033333 k( 279) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033333 k( 280) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033333 k( 281) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033333 k( 282) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033333 k( 283) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033333 k( 286) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033333 k( 287) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033333 k( 288) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033333 k( 289) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033333 k( 290) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033333 k( 291) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033333 k( 292) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033333 k( 293) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033333 k( 294) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033333 k( 295) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033333 k( 296) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033333 k( 297) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033333 k( 298) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033333 k( 299) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033333 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0033333 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0033333 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0033333 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0033333 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0033333 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0033333 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0033333 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0033333 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0033333 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0033333 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0033333 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0033333 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033333 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0033333 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0033333 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0033333 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0033333 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0033333 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0033333 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0033333 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0033333 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0033333 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0033333 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0033333 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0033333 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0033333 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0033333 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0033333 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0033333 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0033333 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0033333 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0033333 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0033333 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0033333 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0033333 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0033333 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0033333 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0033333 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0033333 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0033333 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0033333 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0033333 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0033333 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0033333 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0033333 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0033333 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0033333 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0033333 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0033333 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0033333 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033333 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0033333 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0033333 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0033333 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0033333 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0033333 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0033333 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0033333 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0033333 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0033333 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0033333 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0033333 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0033333 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0033333 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0033333 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0033333 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0033333 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0033333 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0033333 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0033333 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0033333 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0033333 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0033333 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0033333 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0033333 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0033333 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0033333 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0033333 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0033333 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0033333 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0033333 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0033333 k( 90) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0033333 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0033333 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0033333 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0033333 k( 94) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0033333 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0033333 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0033333 k( 97) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0033333 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0033333 k( 99) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0033333 k( 100) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0033333 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0033333 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0033333 k( 103) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033333 k( 104) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0033333 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0033333 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0033333 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0033333 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0033333 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0033333 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0033333 k( 111) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0033333 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0033333 k( 113) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0033333 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033333 k( 115) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0033333 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0033333 k( 117) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0033333 k( 118) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0033333 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0033333 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0033333 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0033333 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0033333 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0033333 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0033333 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033333 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0033333 k( 127) = ( 0.0818182 0.0818182 0.0000000), wk = 0.0033333 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0033333 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0033333 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0033333 k( 131) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0033333 k( 132) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0033333 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0033333 k( 134) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0033333 k( 135) = ( 0.0090909 0.0090909 0.0000000), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 138) = ( 0.0074627 0.0074627 0.0074627), wk = 0.0033333 k( 139) = ( 0.0149254 0.0149254 0.0149254), wk = 0.0033333 k( 140) = ( 0.0223881 0.0223881 0.0223881), wk = 0.0033333 k( 141) = ( 0.0298507 0.0298507 0.0298507), wk = 0.0033333 k( 142) = ( 0.0373134 0.0373134 0.0373134), wk = 0.0033333 k( 143) = ( 0.0447761 0.0447761 0.0447761), wk = 0.0033333 k( 144) = ( 0.0522388 0.0522388 0.0522388), wk = 0.0033333 k( 145) = ( 0.0597015 0.0597015 0.0597015), wk = 0.0033333 k( 146) = ( 0.0671642 0.0671642 0.0671642), wk = 0.0033333 k( 147) = ( 0.0746269 0.0746269 0.0746269), wk = 0.0033333 k( 148) = ( 0.0820895 0.0820895 0.0820895), wk = 0.0033333 k( 149) = ( 0.0895522 0.0895522 0.0895522), wk = 0.0033333 k( 150) = ( 0.0970149 0.0970149 0.0970149), wk = 0.0033333 k( 151) = ( 0.1044776 0.1044776 0.1044776), wk = 0.0033333 k( 152) = ( 0.1119403 0.1119403 0.1119403), wk = 0.0033333 k( 153) = ( 0.1194030 0.1194030 0.1194030), wk = 0.0033333 k( 154) = ( 0.1268657 0.1268657 0.1268657), wk = 0.0033333 k( 155) = ( 0.1343284 0.1343284 0.1343284), wk = 0.0033333 k( 156) = ( 0.1417910 0.1417910 0.1417910), wk = 0.0033333 k( 157) = ( 0.1492537 0.1492537 0.1492537), wk = 0.0033333 k( 158) = ( 0.1567164 0.1567164 0.1567164), wk = 0.0033333 k( 159) = ( 0.1641791 0.1641791 0.1641791), wk = 0.0033333 k( 160) = ( 0.1716418 0.1716418 0.1716418), wk = 0.0033333 k( 161) = ( 0.1791045 0.1791045 0.1791045), wk = 0.0033333 k( 162) = ( 0.1865672 0.1865672 0.1865672), wk = 0.0033333 k( 163) = ( 0.1940299 0.1940299 0.1940299), wk = 0.0033333 k( 164) = ( 0.2014925 0.2014925 0.2014925), wk = 0.0033333 k( 165) = ( 0.2089552 0.2089552 0.2089552), wk = 0.0033333 k( 166) = ( 0.2164179 0.2164179 0.2164179), wk = 0.0033333 k( 167) = ( 0.2238806 0.2238806 0.2238806), wk = 0.0033333 k( 168) = ( 0.2313433 0.2313433 0.2313433), wk = 0.0033333 k( 169) = ( 0.2388060 0.2388060 0.2388060), wk = 0.0033333 k( 170) = ( 0.2462687 0.2462687 0.2462687), wk = 0.0033333 k( 171) = ( 0.2537313 0.2537313 0.2537313), wk = 0.0033333 k( 172) = ( 0.2611940 0.2611940 0.2611940), wk = 0.0033333 k( 173) = ( 0.2686567 0.2686567 0.2686567), wk = 0.0033333 k( 174) = ( 0.2761194 0.2761194 0.2761194), wk = 0.0033333 k( 175) = ( 0.2835821 0.2835821 0.2835821), wk = 0.0033333 k( 176) = ( 0.2910448 0.2910448 0.2910448), wk = 0.0033333 k( 177) = ( 0.2985075 0.2985075 0.2985075), wk = 0.0033333 k( 178) = ( 0.3059701 0.3059701 0.3059701), wk = 0.0033333 k( 179) = ( 0.3134328 0.3134328 0.3134328), wk = 0.0033333 k( 180) = ( 0.3208955 0.3208955 0.3208955), wk = 0.0033333 k( 181) = ( 0.3283582 0.3283582 0.3283582), wk = 0.0033333 k( 182) = ( 0.3358209 0.3358209 0.3358209), wk = 0.0033333 k( 183) = ( 0.3432836 0.3432836 0.3432836), wk = 0.0033333 k( 184) = ( 0.3507463 0.3507463 0.3507463), wk = 0.0033333 k( 185) = ( 0.3582090 0.3582090 0.3582090), wk = 0.0033333 k( 186) = ( 0.3656716 0.3656716 0.3656716), wk = 0.0033333 k( 187) = ( 0.3731343 0.3731343 0.3731343), wk = 0.0033333 k( 188) = ( 0.3805970 0.3805970 0.3805970), wk = 0.0033333 k( 189) = ( 0.3880597 0.3880597 0.3880597), wk = 0.0033333 k( 190) = ( 0.3955224 0.3955224 0.3955224), wk = 0.0033333 k( 191) = ( 0.4029851 0.4029851 0.4029851), wk = 0.0033333 k( 192) = ( 0.4104478 0.4104478 0.4104478), wk = 0.0033333 k( 193) = ( 0.4179104 0.4179104 0.4179104), wk = 0.0033333 k( 194) = ( 0.4253731 0.4253731 0.4253731), wk = 0.0033333 k( 195) = ( 0.4328358 0.4328358 0.4328358), wk = 0.0033333 k( 196) = ( 0.4402985 0.4402985 0.4402985), wk = 0.0033333 k( 197) = ( 0.4477612 0.4477612 0.4477612), wk = 0.0033333 k( 198) = ( 0.4552239 0.4552239 0.4552239), wk = 0.0033333 k( 199) = ( 0.4626866 0.4626866 0.4626866), wk = 0.0033333 k( 200) = ( 0.4701493 0.4701493 0.4701493), wk = 0.0033333 k( 201) = ( 0.4776119 0.4776119 0.4776119), wk = 0.0033333 k( 202) = ( 0.4850746 0.4850746 0.4850746), wk = 0.0033333 k( 203) = ( 0.4925373 0.4925373 0.4925373), wk = 0.0033333 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 206) = ( 0.4909091 0.5000000 0.4909091), wk = 0.0033333 k( 207) = ( 0.4818182 0.5000000 0.4818182), wk = 0.0033333 k( 208) = ( 0.4727273 0.5000000 0.4727273), wk = 0.0033333 k( 209) = ( 0.4636364 0.5000000 0.4636364), wk = 0.0033333 k( 210) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0033333 k( 211) = ( 0.4454546 0.5000000 0.4454546), wk = 0.0033333 k( 212) = ( 0.4363636 0.5000000 0.4363636), wk = 0.0033333 k( 213) = ( 0.4272727 0.5000000 0.4272727), wk = 0.0033333 k( 214) = ( 0.4181818 0.5000000 0.4181818), wk = 0.0033333 k( 215) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0033333 k( 216) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0033333 k( 217) = ( 0.3909091 0.5000000 0.3909091), wk = 0.0033333 k( 218) = ( 0.3818182 0.5000000 0.3818182), wk = 0.0033333 k( 219) = ( 0.3727273 0.5000000 0.3727273), wk = 0.0033333 k( 220) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0033333 k( 221) = ( 0.3545454 0.5000000 0.3545454), wk = 0.0033333 k( 222) = ( 0.3454546 0.5000000 0.3454546), wk = 0.0033333 k( 223) = ( 0.3363636 0.5000000 0.3363636), wk = 0.0033333 k( 224) = ( 0.3272727 0.5000000 0.3272727), wk = 0.0033333 k( 225) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0033333 k( 226) = ( 0.3090909 0.5000000 0.3090909), wk = 0.0033333 k( 227) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0033333 k( 228) = ( 0.2909091 0.5000000 0.2909091), wk = 0.0033333 k( 229) = ( 0.2818182 0.5000000 0.2818182), wk = 0.0033333 k( 230) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0033333 k( 231) = ( 0.2636364 0.5000000 0.2636364), wk = 0.0033333 k( 232) = ( 0.2545455 0.5000000 0.2545455), wk = 0.0033333 k( 233) = ( 0.2454545 0.5000000 0.2454545), wk = 0.0033333 k( 234) = ( 0.2363636 0.5000000 0.2363636), wk = 0.0033333 k( 235) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0033333 k( 236) = ( 0.2181818 0.5000000 0.2181818), wk = 0.0033333 k( 237) = ( 0.2090909 0.5000000 0.2090909), wk = 0.0033333 k( 238) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0033333 k( 239) = ( 0.1909091 0.5000000 0.1909091), wk = 0.0033333 k( 240) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0033333 k( 241) = ( 0.1727273 0.5000000 0.1727273), wk = 0.0033333 k( 242) = ( 0.1636364 0.5000000 0.1636364), wk = 0.0033333 k( 243) = ( 0.1545455 0.5000000 0.1545455), wk = 0.0033333 k( 244) = ( 0.1454545 0.5000000 0.1454545), wk = 0.0033333 k( 245) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0033333 k( 246) = ( 0.1272727 0.5000000 0.1272727), wk = 0.0033333 k( 247) = ( 0.1181818 0.5000000 0.1181818), wk = 0.0033333 k( 248) = ( 0.1090909 0.5000000 0.1090909), wk = 0.0033333 k( 249) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0033333 k( 250) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0033333 k( 251) = ( 0.0818182 0.5000000 0.0818182), wk = 0.0033333 k( 252) = ( 0.0727273 0.5000000 0.0727273), wk = 0.0033333 k( 253) = ( 0.0636364 0.5000000 0.0636364), wk = 0.0033333 k( 254) = ( 0.0545455 0.5000000 0.0545455), wk = 0.0033333 k( 255) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0033333 k( 256) = ( 0.0363636 0.5000000 0.0363636), wk = 0.0033333 k( 257) = ( 0.0272727 0.5000000 0.0272727), wk = 0.0033333 k( 258) = ( 0.0181818 0.5000000 0.0181818), wk = 0.0033333 k( 259) = ( 0.0090909 0.5000000 0.0090909), wk = 0.0033333 k( 260) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 261) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 262) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033333 k( 263) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033333 k( 264) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033333 k( 265) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0033333 k( 266) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033333 k( 267) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033333 k( 268) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033333 k( 269) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033333 k( 270) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033333 k( 271) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033333 k( 272) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033333 k( 273) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033333 k( 274) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033333 k( 275) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033333 k( 276) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033333 k( 277) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033333 k( 278) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033333 k( 279) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033333 k( 280) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033333 k( 281) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033333 k( 282) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033333 k( 283) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033333 k( 286) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033333 k( 287) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033333 k( 288) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033333 k( 289) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033333 k( 290) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033333 k( 291) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033333 k( 292) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033333 k( 293) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033333 k( 294) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033333 k( 295) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033333 k( 296) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033333 k( 297) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033333 k( 298) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033333 k( 299) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033333 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 Dense grid: 44713 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20341 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 144, 48) NL pseudopotentials 0.12 Mb ( 72, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1242) G-vector shells 0.00 Mb ( 267) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 144, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) The potential is recalculated from file : ./SrHfO3.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 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.9 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.8 secs Computing kpt #: 20 total cpu time spent up to now is 8.1 secs Computing kpt #: 21 total cpu time spent up to now is 8.4 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.1 secs Computing kpt #: 24 total cpu time spent up to now is 9.4 secs Computing kpt #: 25 total cpu time spent up to now is 9.7 secs Computing kpt #: 26 total cpu time spent up to now is 10.0 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.6 secs Computing kpt #: 29 total cpu time spent up to now is 10.9 secs Computing kpt #: 30 total cpu time spent up to now is 11.2 secs Computing kpt #: 31 total cpu time spent up to now is 11.8 secs Computing kpt #: 32 total cpu time spent up to now is 12.1 secs Computing kpt #: 33 total cpu time spent up to now is 12.5 secs Computing kpt #: 34 total cpu time spent up to now is 12.8 secs Computing kpt #: 35 total cpu time spent up to now is 13.1 secs Computing kpt #: 36 total cpu time spent up to now is 13.4 secs Computing kpt #: 37 total cpu time spent up to now is 13.7 secs Computing kpt #: 38 total cpu time spent up to now is 14.1 secs Computing kpt #: 39 total cpu time spent up to now is 14.4 secs Computing kpt #: 40 total cpu time spent up to now is 14.7 secs Computing kpt #: 41 total cpu time spent up to now is 15.0 secs Computing kpt #: 42 total cpu time spent up to now is 15.4 secs Computing kpt #: 43 total cpu time spent up to now is 15.7 secs Computing kpt #: 44 total cpu time spent up to now is 16.0 secs Computing kpt #: 45 total cpu time spent up to now is 16.3 secs Computing kpt #: 46 total cpu time spent up to now is 16.6 secs Computing kpt #: 47 total cpu time spent up to now is 16.9 secs Computing kpt #: 48 total cpu time spent up to now is 17.2 secs Computing kpt #: 49 total cpu time spent up to now is 17.5 secs Computing kpt #: 50 total cpu time spent up to now is 17.8 secs Computing kpt #: 51 total cpu time spent up to now is 18.1 secs Computing kpt #: 52 total cpu time spent up to now is 18.4 secs Computing kpt #: 53 total cpu time spent up to now is 18.7 secs Computing kpt #: 54 total cpu time spent up to now is 19.0 secs Computing kpt #: 55 total cpu time spent up to now is 19.3 secs Computing kpt #: 56 total cpu time spent up to now is 19.6 secs Computing kpt #: 57 total cpu time spent up to now is 19.9 secs Computing kpt #: 58 total cpu time spent up to now is 20.2 secs Computing kpt #: 59 total cpu time spent up to now is 20.5 secs Computing kpt #: 60 total cpu time spent up to now is 20.9 secs Computing kpt #: 61 total cpu time spent up to now is 21.2 secs Computing kpt #: 62 total cpu time spent up to now is 21.5 secs Computing kpt #: 63 total cpu time spent up to now is 21.8 secs Computing kpt #: 64 total cpu time spent up to now is 22.1 secs Computing kpt #: 65 total cpu time spent up to now is 22.5 secs Computing kpt #: 66 total cpu time spent up to now is 22.8 secs Computing kpt #: 67 total cpu time spent up to now is 23.1 secs Computing kpt #: 68 total cpu time spent up to now is 23.4 secs Computing kpt #: 69 total cpu time spent up to now is 23.7 secs Computing kpt #: 70 total cpu time spent up to now is 24.1 secs Computing kpt #: 71 total cpu time spent up to now is 24.4 secs Computing kpt #: 72 total cpu time spent up to now is 24.7 secs Computing kpt #: 73 total cpu time spent up to now is 24.9 secs Computing kpt #: 74 total cpu time spent up to now is 25.2 secs Computing kpt #: 75 total cpu time spent up to now is 25.5 secs Computing kpt #: 76 total cpu time spent up to now is 25.8 secs Computing kpt #: 77 total cpu time spent up to now is 26.0 secs Computing kpt #: 78 total cpu time spent up to now is 26.3 secs Computing kpt #: 79 total cpu time spent up to now is 26.6 secs Computing kpt #: 80 total cpu time spent up to now is 26.9 secs Computing kpt #: 81 total cpu time spent up to now is 27.2 secs Computing kpt #: 82 total cpu time spent up to now is 27.4 secs Computing kpt #: 83 total cpu time spent up to now is 27.7 secs Computing kpt #: 84 total cpu time spent up to now is 28.0 secs Computing kpt #: 85 total cpu time spent up to now is 28.3 secs Computing kpt #: 86 total cpu time spent up to now is 28.5 secs Computing kpt #: 87 total cpu time spent up to now is 28.8 secs Computing kpt #: 88 total cpu time spent up to now is 29.1 secs Computing kpt #: 89 total cpu time spent up to now is 29.4 secs Computing kpt #: 90 total cpu time spent up to now is 29.7 secs Computing kpt #: 91 total cpu time spent up to now is 30.0 secs Computing kpt #: 92 total cpu time spent up to now is 30.2 secs Computing kpt #: 93 total cpu time spent up to now is 30.5 secs Computing kpt #: 94 total cpu time spent up to now is 30.8 secs Computing kpt #: 95 total cpu time spent up to now is 31.1 secs Computing kpt #: 96 total cpu time spent up to now is 31.5 secs Computing kpt #: 97 total cpu time spent up to now is 31.8 secs Computing kpt #: 98 total cpu time spent up to now is 32.0 secs Computing kpt #: 99 total cpu time spent up to now is 32.3 secs Computing kpt #: 100 total cpu time spent up to now is 32.7 secs Computing kpt #: 101 total cpu time spent up to now is 33.0 secs Computing kpt #: 102 total cpu time spent up to now is 33.2 secs Computing kpt #: 103 total cpu time spent up to now is 33.5 secs Computing kpt #: 104 total cpu time spent up to now is 33.8 secs Computing kpt #: 105 total cpu time spent up to now is 34.1 secs Computing kpt #: 106 total cpu time spent up to now is 34.4 secs Computing kpt #: 107 total cpu time spent up to now is 34.8 secs Computing kpt #: 108 total cpu time spent up to now is 35.6 secs Computing kpt #: 109 total cpu time spent up to now is 36.4 secs Computing kpt #: 110 total cpu time spent up to now is 36.7 secs Computing kpt #: 111 total cpu time spent up to now is 37.1 secs Computing kpt #: 112 total cpu time spent up to now is 37.5 secs Computing kpt #: 113 total cpu time spent up to now is 37.9 secs Computing kpt #: 114 total cpu time spent up to now is 38.2 secs Computing kpt #: 115 total cpu time spent up to now is 38.5 secs Computing kpt #: 116 total cpu time spent up to now is 38.8 secs Computing kpt #: 117 total cpu time spent up to now is 39.1 secs Computing kpt #: 118 total cpu time spent up to now is 39.4 secs Computing kpt #: 119 total cpu time spent up to now is 39.7 secs Computing kpt #: 120 total cpu time spent up to now is 40.0 secs Computing kpt #: 121 total cpu time spent up to now is 40.3 secs Computing kpt #: 122 total cpu time spent up to now is 40.6 secs Computing kpt #: 123 total cpu time spent up to now is 40.9 secs Computing kpt #: 124 total cpu time spent up to now is 41.2 secs Computing kpt #: 125 total cpu time spent up to now is 41.5 secs Computing kpt #: 126 total cpu time spent up to now is 41.8 secs Computing kpt #: 127 total cpu time spent up to now is 42.1 secs Computing kpt #: 128 total cpu time spent up to now is 42.4 secs Computing kpt #: 129 total cpu time spent up to now is 42.7 secs Computing kpt #: 130 total cpu time spent up to now is 43.0 secs Computing kpt #: 131 total cpu time spent up to now is 43.2 secs Computing kpt #: 132 total cpu time spent up to now is 43.5 secs Computing kpt #: 133 total cpu time spent up to now is 43.8 secs Computing kpt #: 134 total cpu time spent up to now is 44.0 secs Computing kpt #: 135 total cpu time spent up to now is 44.3 secs Computing kpt #: 136 total cpu time spent up to now is 44.5 secs Computing kpt #: 137 total cpu time spent up to now is 44.8 secs Computing kpt #: 138 total cpu time spent up to now is 45.1 secs Computing kpt #: 139 total cpu time spent up to now is 45.3 secs Computing kpt #: 140 total cpu time spent up to now is 45.6 secs Computing kpt #: 141 total cpu time spent up to now is 45.8 secs Computing kpt #: 142 total cpu time spent up to now is 46.1 secs Computing kpt #: 143 total cpu time spent up to now is 46.3 secs Computing kpt #: 144 total cpu time spent up to now is 46.6 secs Computing kpt #: 145 total cpu time spent up to now is 46.9 secs Computing kpt #: 146 total cpu time spent up to now is 47.2 secs Computing kpt #: 147 total cpu time spent up to now is 47.5 secs Computing kpt #: 148 total cpu time spent up to now is 47.7 secs Computing kpt #: 149 total cpu time spent up to now is 48.0 secs Computing kpt #: 150 total cpu time spent up to now is 48.3 secs Computing kpt #: 151 total cpu time spent up to now is 48.6 secs Computing kpt #: 152 total cpu time spent up to now is 48.9 secs Computing kpt #: 153 total cpu time spent up to now is 49.2 secs Computing kpt #: 154 total cpu time spent up to now is 49.4 secs Computing kpt #: 155 total cpu time spent up to now is 49.7 secs Computing kpt #: 156 total cpu time spent up to now is 50.0 secs Computing kpt #: 157 total cpu time spent up to now is 50.3 secs Computing kpt #: 158 total cpu time spent up to now is 50.6 secs Computing kpt #: 159 total cpu time spent up to now is 50.9 secs Computing kpt #: 160 total cpu time spent up to now is 51.1 secs Computing kpt #: 161 total cpu time spent up to now is 51.4 secs Computing kpt #: 162 total cpu time spent up to now is 51.7 secs Computing kpt #: 163 total cpu time spent up to now is 52.0 secs Computing kpt #: 164 total cpu time spent up to now is 52.3 secs Computing kpt #: 165 total cpu time spent up to now is 52.6 secs Computing kpt #: 166 total cpu time spent up to now is 52.8 secs Computing kpt #: 167 total cpu time spent up to now is 53.1 secs Computing kpt #: 168 total cpu time spent up to now is 53.4 secs Computing kpt #: 169 total cpu time spent up to now is 53.7 secs Computing kpt #: 170 total cpu time spent up to now is 54.0 secs Computing kpt #: 171 total cpu time spent up to now is 54.3 secs Computing kpt #: 172 total cpu time spent up to now is 54.6 secs Computing kpt #: 173 total cpu time spent up to now is 54.9 secs Computing kpt #: 174 total cpu time spent up to now is 55.1 secs Computing kpt #: 175 total cpu time spent up to now is 55.4 secs Computing kpt #: 176 total cpu time spent up to now is 55.7 secs Computing kpt #: 177 total cpu time spent up to now is 56.0 secs Computing kpt #: 178 total cpu time spent up to now is 56.3 secs Computing kpt #: 179 total cpu time spent up to now is 56.6 secs Computing kpt #: 180 total cpu time spent up to now is 56.9 secs Computing kpt #: 181 total cpu time spent up to now is 57.2 secs Computing kpt #: 182 total cpu time spent up to now is 57.5 secs Computing kpt #: 183 total cpu time spent up to now is 57.8 secs Computing kpt #: 184 total cpu time spent up to now is 58.1 secs Computing kpt #: 185 total cpu time spent up to now is 58.4 secs Computing kpt #: 186 total cpu time spent up to now is 58.8 secs Computing kpt #: 187 total cpu time spent up to now is 59.2 secs Computing kpt #: 188 total cpu time spent up to now is 59.5 secs Computing kpt #: 189 total cpu time spent up to now is 59.9 secs Computing kpt #: 190 total cpu time spent up to now is 60.3 secs Computing kpt #: 191 total cpu time spent up to now is 60.6 secs Computing kpt #: 192 total cpu time spent up to now is 61.0 secs Computing kpt #: 193 total cpu time spent up to now is 61.3 secs Computing kpt #: 194 total cpu time spent up to now is 61.7 secs Computing kpt #: 195 total cpu time spent up to now is 62.1 secs Computing kpt #: 196 total cpu time spent up to now is 62.4 secs Computing kpt #: 197 total cpu time spent up to now is 62.8 secs Computing kpt #: 198 total cpu time spent up to now is 63.2 secs Computing kpt #: 199 total cpu time spent up to now is 63.6 secs Computing kpt #: 200 total cpu time spent up to now is 64.4 secs Computing kpt #: 201 total cpu time spent up to now is 64.8 secs Computing kpt #: 202 total cpu time spent up to now is 65.2 secs Computing kpt #: 203 total cpu time spent up to now is 65.6 secs Computing kpt #: 204 total cpu time spent up to now is 65.9 secs Computing kpt #: 205 total cpu time spent up to now is 66.3 secs Computing kpt #: 206 total cpu time spent up to now is 66.6 secs Computing kpt #: 207 total cpu time spent up to now is 66.9 secs Computing kpt #: 208 total cpu time spent up to now is 67.3 secs Computing kpt #: 209 total cpu time spent up to now is 67.6 secs Computing kpt #: 210 total cpu time spent up to now is 68.0 secs Computing kpt #: 211 total cpu time spent up to now is 68.5 secs Computing kpt #: 212 total cpu time spent up to now is 68.8 secs Computing kpt #: 213 total cpu time spent up to now is 69.2 secs Computing kpt #: 214 total cpu time spent up to now is 69.6 secs Computing kpt #: 215 total cpu time spent up to now is 69.9 secs Computing kpt #: 216 total cpu time spent up to now is 70.2 secs Computing kpt #: 217 total cpu time spent up to now is 70.5 secs Computing kpt #: 218 total cpu time spent up to now is 70.9 secs Computing kpt #: 219 total cpu time spent up to now is 71.2 secs Computing kpt #: 220 total cpu time spent up to now is 71.5 secs Computing kpt #: 221 total cpu time spent up to now is 71.8 secs Computing kpt #: 222 total cpu time spent up to now is 72.1 secs Computing kpt #: 223 total cpu time spent up to now is 72.4 secs Computing kpt #: 224 total cpu time spent up to now is 72.8 secs Computing kpt #: 225 total cpu time spent up to now is 73.1 secs Computing kpt #: 226 total cpu time spent up to now is 73.4 secs Computing kpt #: 227 total cpu time spent up to now is 73.7 secs Computing kpt #: 228 total cpu time spent up to now is 74.0 secs Computing kpt #: 229 total cpu time spent up to now is 74.3 secs Computing kpt #: 230 total cpu time spent up to now is 74.6 secs Computing kpt #: 231 total cpu time spent up to now is 74.9 secs Computing kpt #: 232 total cpu time spent up to now is 75.2 secs Computing kpt #: 233 total cpu time spent up to now is 75.5 secs Computing kpt #: 234 total cpu time spent up to now is 75.8 secs Computing kpt #: 235 total cpu time spent up to now is 76.1 secs Computing kpt #: 236 total cpu time spent up to now is 76.4 secs Computing kpt #: 237 total cpu time spent up to now is 76.7 secs Computing kpt #: 238 total cpu time spent up to now is 77.1 secs Computing kpt #: 239 total cpu time spent up to now is 77.4 secs Computing kpt #: 240 total cpu time spent up to now is 77.7 secs Computing kpt #: 241 total cpu time spent up to now is 78.0 secs Computing kpt #: 242 total cpu time spent up to now is 78.3 secs Computing kpt #: 243 total cpu time spent up to now is 78.6 secs Computing kpt #: 244 total cpu time spent up to now is 78.9 secs Computing kpt #: 245 total cpu time spent up to now is 79.2 secs Computing kpt #: 246 total cpu time spent up to now is 79.5 secs Computing kpt #: 247 total cpu time spent up to now is 79.8 secs Computing kpt #: 248 total cpu time spent up to now is 80.1 secs Computing kpt #: 249 total cpu time spent up to now is 80.4 secs Computing kpt #: 250 total cpu time spent up to now is 80.7 secs Computing kpt #: 251 total cpu time spent up to now is 81.0 secs Computing kpt #: 252 total cpu time spent up to now is 81.3 secs Computing kpt #: 253 total cpu time spent up to now is 81.6 secs Computing kpt #: 254 total cpu time spent up to now is 81.9 secs Computing kpt #: 255 total cpu time spent up to now is 82.2 secs Computing kpt #: 256 total cpu time spent up to now is 82.5 secs Computing kpt #: 257 total cpu time spent up to now is 82.8 secs Computing kpt #: 258 total cpu time spent up to now is 83.1 secs Computing kpt #: 259 total cpu time spent up to now is 83.4 secs Computing kpt #: 260 total cpu time spent up to now is 83.8 secs Computing kpt #: 261 total cpu time spent up to now is 84.0 secs Computing kpt #: 262 total cpu time spent up to now is 84.3 secs Computing kpt #: 263 total cpu time spent up to now is 84.6 secs Computing kpt #: 264 total cpu time spent up to now is 84.9 secs Computing kpt #: 265 total cpu time spent up to now is 85.2 secs Computing kpt #: 266 total cpu time spent up to now is 85.4 secs Computing kpt #: 267 total cpu time spent up to now is 85.7 secs Computing kpt #: 268 total cpu time spent up to now is 86.0 secs Computing kpt #: 269 total cpu time spent up to now is 86.3 secs Computing kpt #: 270 total cpu time spent up to now is 86.6 secs Computing kpt #: 271 total cpu time spent up to now is 86.9 secs Computing kpt #: 272 total cpu time spent up to now is 87.2 secs Computing kpt #: 273 total cpu time spent up to now is 87.5 secs Computing kpt #: 274 total cpu time spent up to now is 87.8 secs Computing kpt #: 275 total cpu time spent up to now is 88.1 secs Computing kpt #: 276 total cpu time spent up to now is 88.4 secs Computing kpt #: 277 total cpu time spent up to now is 88.7 secs Computing kpt #: 278 total cpu time spent up to now is 89.1 secs Computing kpt #: 279 total cpu time spent up to now is 89.4 secs Computing kpt #: 280 total cpu time spent up to now is 89.7 secs Computing kpt #: 281 total cpu time spent up to now is 90.0 secs Computing kpt #: 282 total cpu time spent up to now is 90.3 secs Computing kpt #: 283 total cpu time spent up to now is 90.6 secs Computing kpt #: 284 total cpu time spent up to now is 90.9 secs Computing kpt #: 285 total cpu time spent up to now is 91.2 secs Computing kpt #: 286 total cpu time spent up to now is 91.6 secs Computing kpt #: 287 total cpu time spent up to now is 92.0 secs Computing kpt #: 288 total cpu time spent up to now is 92.4 secs Computing kpt #: 289 total cpu time spent up to now is 92.8 secs Computing kpt #: 290 total cpu time spent up to now is 93.2 secs Computing kpt #: 291 total cpu time spent up to now is 93.6 secs Computing kpt #: 292 total cpu time spent up to now is 94.0 secs Computing kpt #: 293 total cpu time spent up to now is 94.8 secs Computing kpt #: 294 total cpu time spent up to now is 95.5 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.5 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.5 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.5 secs Computing kpt #: 298 total cpu time spent up to now is 98.8 secs Computing kpt #: 299 total cpu time spent up to now is 99.2 secs Computing kpt #: 300 total cpu time spent up to now is 99.5 secs ethr = 2.50E-08, avg # of iterations = 20.8 total cpu time spent up to now is 99.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -49.5118 -49.5118 -23.9551 -23.9551 -23.4304 -23.4304 -16.4053 -16.4053 -16.4053 -16.4053 -7.2760 -7.2760 -6.5870 -6.5870 -6.5870 -6.5870 -6.1865 -6.1865 -5.0350 -5.0350 -5.0350 -5.0350 7.3227 7.3227 7.9755 7.9755 7.9755 7.9755 8.6705 8.6705 8.6705 8.6705 8.6859 8.6859 9.2211 9.2211 9.5422 9.5422 9.5422 9.5422 13.6001 13.6001 13.6001 13.6001 13.8440 13.8440 14.6954 14.6954 k = 0.0000 0.0128-0.0000 ( 2525 PWs) bands (ev): -49.5118 -49.5118 -23.9553 -23.9553 -23.4304 -23.4304 -16.4057 -16.4057 -16.4053 -16.4053 -7.2758 -7.2758 -6.5870 -6.5870 -6.5866 -6.5866 -6.1858 -6.1858 -5.0350 -5.0350 -5.0344 -5.0344 7.3219 7.3219 7.9739 7.9739 7.9750 7.9750 8.6687 8.6687 8.6690 8.6690 8.6843 8.6843 9.2189 9.2189 9.5375 9.5375 9.5417 9.5417 13.6021 13.6021 13.6045 13.6045 13.8472 13.8472 14.6993 14.6993 k = 0.0000 0.0256-0.0000 ( 2525 PWs) bands (ev): -49.5118 -49.5118 -23.9554 -23.9554 -23.4303 -23.4303 -16.4067 -16.4067 -16.4053 -16.4053 -7.2754 -7.2754 -6.5868 -6.5868 -6.5855 -6.5855 -6.1836 -6.1836 -5.0349 -5.0349 -5.0328 -5.0328 7.3195 7.3195 7.9692 7.9692 7.9735 7.9735 8.6635 8.6635 8.6647 8.6647 8.6796 8.6796 9.2122 9.2122 9.5237 9.5237 9.5403 9.5403 13.6078 13.6078 13.6175 13.6175 13.8567 13.8567 14.7111 14.7111 k = 0.0000 0.0385-0.0000 ( 2533 PWs) bands (ev): -49.5118 -49.5118 -23.9557 -23.9557 -23.4302 -23.4302 -16.4084 -16.4084 -16.4053 -16.4053 -7.2748 -7.2748 -6.5866 -6.5866 -6.5835 -6.5835 -6.1800 -6.1800 -5.0347 -5.0347 -5.0301 -5.0301 7.3154 7.3154 7.9615 7.9615 7.9711 7.9711 8.6549 8.6549 8.6573 8.6573 8.6720 8.6720 9.2004 9.2004 9.5017 9.5017 9.5379 9.5379 13.6168 13.6168 13.6390 13.6390 13.8730 13.8730 14.7306 14.7306 k = 0.0000 0.0513-0.0000 ( 2533 PWs) bands (ev): -49.5118 -49.5118 -23.9560 -23.9560 -23.4300 -23.4300 -16.4106 -16.4106 -16.4052 -16.4052 -7.2742 -7.2742 -6.5863 -6.5863 -6.5803 -6.5803 -6.1751 -6.1751 -5.0345 -5.0345 -5.0263 -5.0263 7.3097 7.3097 7.9508 7.9508 7.9678 7.9678 8.6429 8.6429 8.6469 8.6469 8.6616 8.6616 9.1826 9.1826 9.4733 9.4733 9.5348 9.5348 13.6285 13.6285 13.6689 13.6689 13.8964 13.8964 14.7575 14.7575 k = 0.0000 0.0641-0.0000 ( 2533 PWs) bands (ev): -49.5118 -49.5118 -23.9563 -23.9563 -23.4298 -23.4298 -16.4135 -16.4135 -16.4051 -16.4051 -7.2737 -7.2737 -6.5859 -6.5859 -6.5757 -6.5757 -6.1690 -6.1690 -5.0342 -5.0342 -5.0215 -5.0215 7.3021 7.3021 7.9372 7.9372 7.9636 7.9636 8.6276 8.6276 8.6334 8.6334 8.6488 8.6488 9.1573 9.1573 9.4408 9.4408 9.5310 9.5310 13.6423 13.6423 13.7070 13.7070 13.9273 13.9273 14.7914 14.7914 k = 0.0000 0.0769-0.0000 ( 2537 PWs) bands (ev): -49.5118 -49.5118 -23.9568 -23.9568 -23.4295 -23.4295 -16.4170 -16.4170 -16.4049 -16.4049 -7.2735 -7.2735 -6.5854 -6.5854 -6.5695 -6.5695 -6.1619 -6.1619 -5.0338 -5.0338 -5.0157 -5.0157 7.2926 7.2926 7.9209 7.9209 7.9584 7.9584 8.6092 8.6092 8.6166 8.6166 8.6339 8.6339 9.1226 9.1226 9.4071 9.4071 9.5265 9.5265 13.6576 13.6576 13.7528 13.7528 13.9661 13.9661 14.8318 14.8318 k = 0.0000 0.0897-0.0000 ( 2537 PWs) bands (ev): -49.5118 -49.5118 -23.9573 -23.9573 -23.4292 -23.4292 -16.4211 -16.4211 -16.4047 -16.4047 -7.2739 -7.2739 -6.5849 -6.5849 -6.5611 -6.5611 -6.1540 -6.1540 -5.0334 -5.0334 -5.0089 -5.0089 7.2809 7.2809 7.9021 7.9021 7.9524 7.9524 8.5877 8.5877 8.5968 8.5968 8.6171 8.6171 9.0769 9.0769 9.3751 9.3751 9.5215 9.5215 13.6738 13.6738 13.8061 13.8061 14.0128 14.0128 14.8778 14.8778 k = 0.0000 0.1026-0.0000 ( 2545 PWs) bands (ev): -49.5118 -49.5118 -23.9580 -23.9580 -23.4288 -23.4288 -16.4257 -16.4257 -16.4046 -16.4046 -7.2750 -7.2750 -6.5842 -6.5842 -6.5505 -6.5505 -6.1454 -6.1454 -5.0329 -5.0329 -5.0012 -5.0012 7.2668 7.2668 7.8809 7.8809 7.9456 7.9456 8.5633 8.5633 8.5741 8.5741 8.5985 8.5985 9.0197 9.0197 9.3465 9.3465 9.5161 9.5161 13.6908 13.6908 13.8664 13.8664 14.0673 14.0673 14.9280 14.9280 k = 0.0000 0.1154-0.0000 ( 2545 PWs) bands (ev): -49.5117 -49.5117 -23.9586 -23.9586 -23.4284 -23.4284 -16.4308 -16.4308 -16.4043 -16.4043 -7.2772 -7.2772 -6.5835 -6.5835 -6.5372 -6.5372 -6.1362 -6.1362 -5.0324 -5.0324 -4.9927 -4.9927 7.2499 7.2499 7.8578 7.8578 7.9380 7.9380 8.5363 8.5363 8.5488 8.5488 8.5783 8.5783 8.9519 8.9519 9.3219 9.3219 9.5104 9.5104 13.7085 13.7085 13.9334 13.9334 14.1292 14.1292 14.9805 14.9805 k = 0.0000 0.1282-0.0000 ( 2545 PWs) bands (ev): -49.5117 -49.5117 -23.9593 -23.9593 -23.4279 -23.4279 -16.4363 -16.4363 -16.4041 -16.4041 -7.2804 -7.2804 -6.5828 -6.5828 -6.5211 -6.5211 -6.1267 -6.1267 -5.0318 -5.0318 -4.9834 -4.9834 7.2300 7.2300 7.8329 7.8329 7.9297 7.9297 8.5069 8.5069 8.5213 8.5213 8.5566 8.5566 8.8754 8.8754 9.3008 9.3008 9.5045 9.5045 13.7268 13.7268 14.0066 14.0066 14.1981 14.1981 15.0334 15.0334 k = 0.0000 0.1410-0.0000 ( 2553 PWs) bands (ev): -49.5117 -49.5117 -23.9602 -23.9602 -23.4275 -23.4275 -16.4424 -16.4424 -16.4038 -16.4038 -7.2849 -7.2849 -6.5820 -6.5820 -6.5020 -6.5020 -6.1169 -6.1169 -5.0312 -5.0312 -4.9733 -4.9733 7.2064 7.2064 7.8066 7.8066 7.9207 7.9207 8.4753 8.4753 8.4918 8.4918 8.5334 8.5334 8.7924 8.7924 9.2826 9.2826 9.4985 9.4985 13.7457 13.7457 14.0856 14.0856 14.2736 14.2736 15.0857 15.0857 k = 0.0000 0.1538-0.0000 ( 2565 PWs) bands (ev): -49.5117 -49.5117 -23.9611 -23.9611 -23.4269 -23.4269 -16.4489 -16.4489 -16.4036 -16.4036 -7.2906 -7.2906 -6.5811 -6.5811 -6.4800 -6.4800 -6.1068 -6.1068 -5.0306 -5.0306 -4.9626 -4.9626 7.1787 7.1787 7.7794 7.7794 7.9111 7.9111 8.4418 8.4418 8.4607 8.4607 8.5091 8.5091 8.7052 8.7052 9.2665 9.2665 9.4925 9.4925 13.7653 13.7653 14.1699 14.1699 14.3550 14.3550 15.1381 15.1381 k = 0.0000 0.1667-0.0000 ( 2557 PWs) bands (ev): -49.5116 -49.5116 -23.9619 -23.9619 -23.4264 -23.4264 -16.4555 -16.4555 -16.4032 -16.4032 -7.2976 -7.2976 -6.5801 -6.5801 -6.4550 -6.4550 -6.0967 -6.0967 -5.0299 -5.0299 -4.9514 -4.9514 7.1463 7.1463 7.7517 7.7517 7.9009 7.9009 8.4067 8.4067 8.4282 8.4282 8.4838 8.4838 8.6156 8.6156 9.2520 9.2520 9.4866 9.4866 13.7857 13.7857 14.2590 14.2590 14.4419 14.4419 15.1915 15.1915 k = 0.0000 0.1795-0.0000 ( 2549 PWs) bands (ev): -49.5116 -49.5116 -23.9627 -23.9627 -23.4258 -23.4258 -16.4623 -16.4623 -16.4029 -16.4029 -7.3058 -7.3058 -6.5791 -6.5791 -6.4272 -6.4272 -6.0865 -6.0865 -5.0291 -5.0291 -4.9396 -4.9396 7.1086 7.1086 7.7240 7.7240 7.8902 7.8902 8.3703 8.3703 8.3947 8.3947 8.4576 8.4576 8.5255 8.5255 9.2388 9.2388 9.4807 9.4807 13.8068 13.8068 14.3525 14.3525 14.5337 14.5337 15.2465 15.2465 k = 0.0000 0.1923-0.0000 ( 2545 PWs) bands (ev): -49.5115 -49.5115 -23.9636 -23.9636 -23.4252 -23.4252 -16.4695 -16.4695 -16.4025 -16.4025 -7.3151 -7.3151 -6.5781 -6.5781 -6.3968 -6.3968 -6.0764 -6.0764 -5.0284 -5.0284 -4.9274 -4.9274 7.0651 7.0651 7.6967 7.6967 7.8790 7.8790 8.3328 8.3328 8.3605 8.3605 8.4307 8.4307 8.4364 8.4364 9.2266 9.2266 9.4750 9.4750 13.8286 13.8286 14.4499 14.4499 14.6298 14.6298 15.3033 15.3033 k = 0.0000 0.2051-0.0000 ( 2537 PWs) bands (ev): -49.5115 -49.5115 -23.9645 -23.9645 -23.4246 -23.4246 -16.4768 -16.4768 -16.4022 -16.4022 -7.3253 -7.3253 -6.5771 -6.5771 -6.3641 -6.3641 -6.0662 -6.0662 -5.0276 -5.0276 -4.9148 -4.9148 7.0152 7.0152 7.6704 7.6704 7.8675 7.8675 8.2945 8.2945 8.3258 8.3258 8.3497 8.3497 8.4034 8.4034 9.2152 9.2152 9.4695 9.4695 13.8512 13.8512 14.5508 14.5508 14.7299 14.7299 15.3619 15.3619 k = 0.0000 0.2179-0.0000 ( 2541 PWs) bands (ev): -49.5114 -49.5114 -23.9655 -23.9655 -23.4239 -23.4239 -16.4844 -16.4844 -16.4018 -16.4018 -7.3364 -7.3364 -6.5760 -6.5760 -6.3295 -6.3295 -6.0559 -6.0559 -5.0268 -5.0268 -4.9021 -4.9021 6.9588 6.9588 7.6453 7.6453 7.8557 7.8557 8.2554 8.2554 8.2667 8.2667 8.2909 8.2909 8.3758 8.3758 9.2045 9.2045 9.4641 9.4641 13.8744 13.8744 14.6547 14.6547 14.8333 14.8333 15.4222 15.4222 k = 0.0000 0.2308-0.0000 ( 2549 PWs) bands (ev): -49.5114 -49.5114 -23.9666 -23.9666 -23.4233 -23.4233 -16.4921 -16.4921 -16.4015 -16.4015 -7.3482 -7.3482 -6.5749 -6.5749 -6.2933 -6.2933 -6.0456 -6.0456 -5.0260 -5.0260 -4.8891 -4.8891 6.8959 6.8959 7.6217 7.6217 7.8437 7.8437 8.1874 8.1874 8.2168 8.2168 8.2561 8.2561 8.3481 8.3481 9.1944 9.1944 9.4590 9.4590 13.8983 13.8983 14.7611 14.7611 14.9395 14.9395 15.4841 15.4841 k = 0.0000 0.2436-0.0000 ( 2545 PWs) bands (ev): -49.5114 -49.5114 -23.9676 -23.9676 -23.4227 -23.4227 -16.4997 -16.4997 -16.4011 -16.4011 -7.3604 -7.3604 -6.5738 -6.5738 -6.2561 -6.2561 -6.0349 -6.0349 -5.0251 -5.0251 -4.8762 -4.8762 6.8269 6.8269 7.5999 7.5999 7.8315 7.8315 8.1135 8.1135 8.1776 8.1776 8.2215 8.2215 8.3205 8.3205 9.1849 9.1849 9.4541 9.4541 13.9227 13.9227 14.8697 14.8697 15.0482 15.0482 15.5471 15.5471 k = 0.0000 0.2564-0.0000 ( 2545 PWs) bands (ev): -49.5113 -49.5113 -23.9686 -23.9686 -23.4220 -23.4220 -16.5073 -16.5073 -16.4007 -16.4007 -7.3730 -7.3730 -6.5727 -6.5727 -6.2186 -6.2186 -6.0236 -6.0236 -5.0243 -5.0243 -4.8632 -4.8632 6.7525 6.7525 7.5799 7.5799 7.8192 7.8192 8.0449 8.0449 8.1387 8.1387 8.1875 8.1875 8.2932 8.2932 9.1760 9.1760 9.4495 9.4495 13.9476 13.9476 14.9798 14.9798 15.1588 15.1588 15.6110 15.6110 k = 0.0000 0.2692-0.0000 ( 2545 PWs) bands (ev): -49.5113 -49.5113 -23.9696 -23.9696 -23.4214 -23.4214 -16.5149 -16.5149 -16.4004 -16.4004 -7.3857 -7.3857 -6.5716 -6.5716 -6.1815 -6.1815 -6.0113 -6.0113 -5.0235 -5.0235 -4.8503 -4.8503 6.6734 6.6734 7.5616 7.5616 7.8070 7.8070 7.9816 7.9816 8.1002 8.1002 8.1542 8.1542 8.2663 8.2663 9.1675 9.1675 9.4451 9.4451 13.9728 13.9728 15.0912 15.0912 15.2709 15.2709 15.6755 15.6755 k = 0.0000 0.2821-0.0000 ( 2553 PWs) bands (ev): -49.5112 -49.5112 -23.9707 -23.9707 -23.4207 -23.4207 -16.5225 -16.5225 -16.4000 -16.4000 -7.3985 -7.3985 -6.5705 -6.5705 -6.1461 -6.1461 -5.9972 -5.9972 -5.0227 -5.0227 -4.8377 -4.8377 6.5909 6.5909 7.5450 7.5450 7.7948 7.7948 7.9236 7.9236 8.0622 8.0622 8.1218 8.1218 8.2400 8.2400 9.1596 9.1596 9.4409 9.4409 13.9983 13.9983 15.2033 15.2033 15.3840 15.3840 15.7402 15.7402 k = 0.0000 0.2949-0.0000 ( 2553 PWs) bands (ev): -49.5112 -49.5112 -23.9717 -23.9717 -23.4201 -23.4201 -16.5298 -16.5298 -16.3997 -16.3997 -7.4113 -7.4113 -6.5694 -6.5694 -6.1138 -6.1138 -5.9802 -5.9802 -5.0219 -5.0219 -4.8253 -4.8253 6.5060 6.5060 7.5299 7.5299 7.7828 7.7828 7.8709 7.8709 8.0250 8.0250 8.0906 8.0906 8.2144 8.2144 9.1521 9.1521 9.4370 9.4370 14.0238 14.0238 15.3155 15.3155 15.4975 15.4975 15.8047 15.8047 k = 0.0000 0.3077-0.0000 ( 2545 PWs) bands (ev): -49.5111 -49.5111 -23.9725 -23.9725 -23.4195 -23.4195 -16.5369 -16.5369 -16.3993 -16.3993 -7.4237 -7.4237 -6.5683 -6.5683 -6.0861 -6.0861 -5.9591 -5.9591 -5.0211 -5.0211 -4.8132 -4.8132 6.4201 6.4201 7.5162 7.5162 7.7710 7.7710 7.8232 7.8232 7.9888 7.9888 8.0606 8.0606 8.1897 8.1897 9.1451 9.1451 9.4334 9.4334 14.0493 14.0493 15.4275 15.4275 15.6110 15.6110 15.8686 15.8686 k = 0.0000 0.3205-0.0000 ( 2541 PWs) bands (ev): -49.5111 -49.5111 -23.9734 -23.9734 -23.4189 -23.4189 -16.5437 -16.5437 -16.3989 -16.3989 -7.4359 -7.4359 -6.5673 -6.5673 -6.0641 -6.0641 -5.9333 -5.9333 -5.0203 -5.0203 -4.8016 -4.8016 6.3343 6.3343 7.5037 7.5037 7.7594 7.7594 7.7803 7.7803 7.9535 7.9535 8.0320 8.0320 8.1660 8.1660 9.1386 9.1386 9.4300 9.4300 14.0745 14.0745 15.5386 15.5386 15.7239 15.7239 15.9314 15.9314 k = 0.0000 0.3333-0.0000 ( 2561 PWs) bands (ev): -49.5111 -49.5111 -23.9745 -23.9745 -23.4183 -23.4183 -16.5506 -16.5506 -16.3986 -16.3986 -7.4476 -7.4476 -6.5663 -6.5663 -6.0472 -6.0472 -5.9036 -5.9036 -5.0196 -5.0196 -4.7905 -4.7905 6.2497 6.2497 7.4921 7.4921 7.7421 7.7421 7.7483 7.7483 7.9194 7.9194 8.0049 8.0049 8.1434 8.1434 9.1325 9.1325 9.4269 9.4269 14.0993 14.0993 15.6483 15.6483 15.8357 15.8357 15.9928 15.9928 k = 0.0000 0.3462-0.0000 ( 2549 PWs) bands (ev): -49.5110 -49.5110 -23.9753 -23.9753 -23.4178 -23.4178 -16.5567 -16.5567 -16.3983 -16.3983 -7.4588 -7.4588 -6.5654 -6.5654 -6.0345 -6.0345 -5.8715 -5.8715 -5.0189 -5.0189 -4.7799 -4.7799 6.1674 6.1674 7.4813 7.4813 7.7084 7.7084 7.7376 7.7376 7.8866 7.8866 7.9795 7.9795 8.1220 8.1220 9.1269 9.1269 9.4240 9.4240 14.1236 14.1236 15.7559 15.7559 15.9457 15.9457 16.0522 16.0522 k = 0.0000 0.3590-0.0000 ( 2557 PWs) bands (ev): -49.5110 -49.5110 -23.9762 -23.9762 -23.4173 -23.4173 -16.5627 -16.5627 -16.3980 -16.3980 -7.4694 -7.4694 -6.5645 -6.5645 -6.0246 -6.0246 -5.8385 -5.8385 -5.0182 -5.0182 -4.7700 -4.7700 6.0883 6.0883 7.4710 7.4710 7.6793 7.6793 7.7274 7.7274 7.8551 7.8551 7.9559 7.9559 8.1020 8.1020 9.1217 9.1217 9.4213 9.4213 14.1470 14.1470 15.8608 15.8608 16.0533 16.0533 16.1092 16.1092 k = 0.0000 0.3718-0.0000 ( 2553 PWs) bands (ev): -49.5110 -49.5110 -23.9769 -23.9769 -23.4168 -23.4168 -16.5682 -16.5682 -16.3978 -16.3978 -7.4793 -7.4793 -6.5636 -6.5636 -6.0167 -6.0167 -5.8059 -5.8059 -5.0176 -5.0176 -4.7607 -4.7607 6.0133 6.0133 7.4612 7.4612 7.6546 7.6546 7.7177 7.7177 7.8252 7.8252 7.9341 7.9341 8.0834 8.0834 9.1169 9.1169 9.4189 9.4189 14.1695 14.1695 15.9621 15.9621 16.1578 16.1578 16.1634 16.1634 k = 0.0000 0.3846-0.0000 ( 2569 PWs) bands (ev): -49.5110 -49.5110 -23.9778 -23.9778 -23.4163 -23.4163 -16.5734 -16.5734 -16.3977 -16.3977 -7.4884 -7.4884 -6.5629 -6.5629 -6.0104 -6.0104 -5.7746 -5.7746 -5.0170 -5.0170 -4.7522 -4.7522 5.9432 5.9432 7.4515 7.4515 7.6344 7.6344 7.7087 7.7087 7.7967 7.7967 7.9142 7.9142 8.0663 8.0663 9.1127 9.1127 9.4168 9.4168 14.1907 14.1907 16.0591 16.0591 16.2142 16.2142 16.2582 16.2582 k = 0.0000 0.3974-0.0000 ( 2569 PWs) bands (ev): -49.5109 -49.5109 -23.9784 -23.9784 -23.4159 -23.4159 -16.5780 -16.5780 -16.3975 -16.3975 -7.4967 -7.4967 -6.5622 -6.5622 -6.0051 -6.0051 -5.7451 -5.7451 -5.0165 -5.0165 -4.7444 -4.7444 5.8786 5.8786 7.4422 7.4422 7.6185 7.6185 7.7004 7.7004 7.7699 7.7699 7.8963 7.8963 8.0509 8.0509 9.1088 9.1088 9.4148 9.4148 14.2104 14.2104 16.1507 16.1507 16.2614 16.2614 16.3537 16.3537 k = 0.0000 0.4103-0.0000 ( 2561 PWs) bands (ev): -49.5109 -49.5109 -23.9789 -23.9789 -23.4156 -23.4156 -16.5821 -16.5821 -16.3972 -16.3972 -7.5042 -7.5042 -6.5615 -6.5615 -6.0007 -6.0007 -5.7181 -5.7181 -5.0161 -5.0161 -4.7375 -4.7375 5.8203 5.8203 7.4331 7.4331 7.6068 7.6068 7.6929 7.6929 7.7447 7.7447 7.8805 7.8805 8.0370 8.0370 9.1054 9.1054 9.4132 9.4132 14.2285 14.2285 16.2358 16.2358 16.3046 16.3046 16.4081 16.4081 k = 0.0000 0.4231-0.0000 ( 2557 PWs) bands (ev): -49.5109 -49.5109 -23.9794 -23.9794 -23.4152 -23.4152 -16.5857 -16.5857 -16.3970 -16.3970 -7.5107 -7.5107 -6.5610 -6.5610 -5.9970 -5.9970 -5.6939 -5.6939 -5.0156 -5.0156 -4.7314 -4.7314 5.7686 5.7686 7.4245 7.4245 7.5990 7.5990 7.6863 7.6863 7.7213 7.7213 7.8667 7.8667 8.0250 8.0250 9.1025 9.1025 9.4117 9.4117 14.2447 14.2447 16.3119 16.3119 16.3445 16.3445 16.4434 16.4434 k = 0.0000 0.4359-0.0000 ( 2557 PWs) bands (ev): -49.5109 -49.5109 -23.9798 -23.9798 -23.4150 -23.4150 -16.5888 -16.5888 -16.3969 -16.3969 -7.5164 -7.5164 -6.5605 -6.5605 -5.9941 -5.9941 -5.6729 -5.6729 -5.0153 -5.0153 -4.7262 -4.7262 5.7241 5.7241 7.4166 7.4166 7.5948 7.5948 7.6805 7.6805 7.6997 7.6997 7.8551 7.8551 8.0146 8.0146 9.1000 9.1000 9.4105 9.4105 14.2588 14.2588 16.3678 16.3678 16.3911 16.3911 16.4737 16.4737 k = 0.0000 0.4487-0.0000 ( 2565 PWs) bands (ev): -49.5109 -49.5109 -23.9802 -23.9802 -23.4147 -23.4147 -16.5915 -16.5915 -16.3968 -16.3968 -7.5210 -7.5210 -6.5601 -6.5601 -5.9917 -5.9917 -5.6553 -5.6553 -5.0150 -5.0150 -4.7220 -4.7220 5.6872 5.6872 7.4097 7.4097 7.5938 7.5938 7.6757 7.6757 7.6800 7.6800 7.8455 7.8455 8.0061 8.0061 9.0980 9.0980 9.4095 9.4095 14.2706 14.2706 16.3989 16.3989 16.4468 16.4468 16.4988 16.4988 k = 0.0000 0.4615-0.0000 ( 2565 PWs) bands (ev): -49.5109 -49.5109 -23.9805 -23.9805 -23.4146 -23.4146 -16.5935 -16.5935 -16.3966 -16.3966 -7.5246 -7.5246 -6.5598 -6.5598 -5.9899 -5.9899 -5.6414 -5.6414 -5.0148 -5.0148 -4.7186 -4.7186 5.6582 5.6582 7.4040 7.4040 7.5957 7.5957 7.6622 7.6622 7.6719 7.6719 7.8381 7.8381 7.9995 7.9995 9.0964 9.0964 9.4087 9.4087 14.2800 14.2800 16.4213 16.4213 16.4941 16.4941 16.5185 16.5185 k = 0.0000 0.4744-0.0000 ( 2565 PWs) bands (ev): -49.5108 -49.5108 -23.9807 -23.9807 -23.4144 -23.4144 -16.5949 -16.5949 -16.3966 -16.3966 -7.5272 -7.5272 -6.5596 -6.5596 -5.9886 -5.9886 -5.6314 -5.6314 -5.0146 -5.0146 -4.7162 -4.7162 5.6372 5.6372 7.3998 7.3998 7.6001 7.6001 7.6467 7.6467 7.6692 7.6692 7.8327 7.8327 7.9947 7.9947 9.0953 9.0953 9.4082 9.4082 14.2868 14.2868 16.4373 16.4373 16.5293 16.5293 16.5328 16.5328 k = 0.0000 0.4872-0.0000 ( 2560 PWs) bands (ev): -49.5108 -49.5108 -23.9808 -23.9808 -23.4144 -23.4144 -16.5957 -16.5957 -16.3965 -16.3965 -7.5288 -7.5288 -6.5594 -6.5594 -5.9879 -5.9879 -5.6253 -5.6253 -5.0145 -5.0145 -4.7147 -4.7147 5.6246 5.6246 7.3973 7.3973 7.6061 7.6061 7.6341 7.6341 7.6675 7.6675 7.8295 7.8295 7.9918 7.9918 9.0946 9.0946 9.4078 9.4078 14.2909 14.2909 16.4469 16.4469 16.5413 16.5413 16.5509 16.5509 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -49.5108 -49.5108 -23.9808 -23.9808 -23.4143 -23.4143 -16.5960 -16.5960 -16.3965 -16.3965 -7.5293 -7.5293 -6.5594 -6.5594 -5.9876 -5.9876 -5.6232 -5.6232 -5.0145 -5.0145 -4.7143 -4.7143 5.6204 5.6204 7.3964 7.3964 7.6102 7.6102 7.6278 7.6278 7.6670 7.6670 7.8285 7.8285 7.9909 7.9909 9.0944 9.0944 9.4077 9.4077 14.2923 14.2923 16.4501 16.4501 16.5442 16.5442 16.5582 16.5582 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -49.5108 -49.5108 -23.9808 -23.9808 -23.4143 -23.4143 -16.5960 -16.5960 -16.3965 -16.3965 -7.5293 -7.5293 -6.5594 -6.5594 -5.9876 -5.9876 -5.6232 -5.6232 -5.0145 -5.0145 -4.7143 -4.7143 5.6204 5.6204 7.3964 7.3964 7.6102 7.6102 7.6278 7.6278 7.6670 7.6670 7.8285 7.8285 7.9909 7.9909 9.0944 9.0944 9.4077 9.4077 14.2923 14.2923 16.4501 16.4501 16.5442 16.5442 16.5582 16.5582 k = 0.0128 0.5000-0.0000 ( 2560 PWs) bands (ev): -49.5108 -49.5108 -23.9809 -23.9809 -23.4143 -23.4143 -16.5961 -16.5961 -16.3968 -16.3968 -7.5282 -7.5282 -6.5587 -6.5587 -5.9886 -5.9886 -5.6229 -5.6229 -5.0139 -5.0139 -4.7144 -4.7144 5.6203 5.6203 7.3831 7.3831 7.5901 7.5901 7.6341 7.6341 7.6835 7.6835 7.8278 7.8278 8.0007 8.0007 9.0915 9.0915 9.4042 9.4042 14.2961 14.2961 16.4477 16.4477 16.5295 16.5295 16.5763 16.5763 k = 0.0256 0.5000-0.0000 ( 2560 PWs) bands (ev): -49.5108 -49.5108 -23.9809 -23.9809 -23.4143 -23.4143 -16.5964 -16.5964 -16.3975 -16.3975 -7.5248 -7.5248 -6.5567 -6.5567 -5.9915 -5.9915 -5.6219 -5.6219 -5.0121 -5.0121 -4.7149 -4.7149 5.6201 5.6201 7.3452 7.3452 7.5671 7.5671 7.6344 7.6344 7.7129 7.7129 7.8259 7.8259 8.0297 8.0297 9.0826 9.0826 9.3937 9.3937 14.3077 14.3077 16.4387 16.4387 16.5185 16.5185 16.5985 16.5985 k = 0.0385 0.5000-0.0000 ( 2568 PWs) bands (ev): -49.5108 -49.5108 -23.9811 -23.9811 -23.4142 -23.4142 -16.5968 -16.5968 -16.3988 -16.3988 -7.5193 -7.5193 -6.5533 -6.5533 -5.9963 -5.9963 -5.6203 -5.6203 -5.0093 -5.0093 -4.7158 -4.7158 5.6199 5.6199 7.2889 7.2889 7.5510 7.5510 7.6315 7.6315 7.7388 7.7388 7.8225 7.8225 8.0752 8.0752 9.0675 9.0675 9.3771 9.3771 14.3268 14.3268 16.4225 16.4225 16.5191 16.5191 16.6165 16.6165 k = 0.0513 0.5000-0.0000 ( 2566 PWs) bands (ev): -49.5108 -49.5108 -23.9813 -23.9813 -23.4142 -23.4142 -16.5974 -16.5974 -16.4005 -16.4005 -7.5116 -7.5116 -6.5486 -6.5486 -6.0028 -6.0028 -5.6181 -5.6181 -5.0053 -5.0053 -4.7169 -4.7169 5.6194 5.6194 7.2215 7.2215 7.5391 7.5391 7.6268 7.6268 7.7592 7.7592 7.8177 7.8177 8.1334 8.1334 9.0456 9.0456 9.3555 9.3555 14.3534 14.3534 16.4025 16.4025 16.5294 16.5294 16.6284 16.6284 k = 0.0641 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5108 -49.5108 -23.9814 -23.9814 -23.4141 -23.4141 -16.5981 -16.5981 -16.4026 -16.4026 -7.5018 -7.5018 -6.5427 -6.5427 -6.0110 -6.0110 -5.6153 -5.6153 -5.0004 -5.0004 -4.7183 -4.7183 5.6189 5.6189 7.1480 7.1480 7.5287 7.5287 7.6207 7.6207 7.7754 7.7754 7.8115 7.8115 8.1998 8.1998 9.0165 9.0165 9.3304 9.3304 14.3873 14.3873 16.3821 16.3821 16.5466 16.5466 16.6343 16.6343 k = 0.0769 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5108 -49.5108 -23.9817 -23.9817 -23.4140 -23.4140 -16.5990 -16.5990 -16.4052 -16.4052 -7.4900 -7.4900 -6.5355 -6.5355 -6.0207 -6.0207 -5.6122 -5.6122 -4.9944 -4.9944 -4.7200 -4.7200 5.6183 5.6183 7.0712 7.0712 7.5183 7.5183 7.6132 7.6132 7.7880 7.7880 7.8048 7.8048 8.2712 8.2712 8.9798 8.9798 9.3033 9.3033 14.4280 14.4280 16.3631 16.3631 16.5693 16.5693 16.6359 16.6359 k = 0.0897 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5107 -49.5107 -23.9820 -23.9820 -23.4138 -23.4138 -16.6000 -16.6000 -16.4081 -16.4081 -7.4763 -7.4763 -6.5271 -6.5271 -6.0317 -6.0317 -5.6085 -5.6085 -4.9876 -4.9876 -4.7219 -4.7219 5.6175 5.6175 6.9927 6.9927 7.5066 7.5066 7.6044 7.6044 7.7882 7.7882 7.8076 7.8076 8.3452 8.3452 8.9355 8.9355 9.2757 9.2757 14.4755 14.4755 16.3466 16.3466 16.5964 16.5964 16.6355 16.6355 k = 0.1026 0.5000-0.0000 ( 2552 PWs) bands (ev): -49.5107 -49.5107 -23.9823 -23.9823 -23.4137 -23.4137 -16.6013 -16.6013 -16.4114 -16.4114 -7.4607 -7.4607 -6.5176 -6.5176 -6.0438 -6.0438 -5.6046 -5.6046 -4.9800 -4.9800 -4.7239 -4.7239 5.6167 5.6167 6.9137 6.9137 7.4931 7.4931 7.5944 7.5944 7.7767 7.7767 7.8197 7.8197 8.4204 8.4204 8.8845 8.8845 9.2485 9.2485 14.5292 14.5292 16.3329 16.3329 16.6212 16.6212 16.6405 16.6405 k = 0.1154 0.5000-0.0000 ( 2556 PWs) bands (ev): -49.5107 -49.5107 -23.9828 -23.9828 -23.4135 -23.4135 -16.6028 -16.6028 -16.4151 -16.4151 -7.4434 -7.4434 -6.5072 -6.5072 -6.0569 -6.0569 -5.6003 -5.6003 -4.9716 -4.9716 -4.7260 -4.7260 5.6157 5.6157 6.8347 6.8347 7.4770 7.4770 7.5834 7.5834 7.7614 7.7614 7.8332 7.8332 8.4957 8.4957 8.8278 8.8278 9.2222 9.2222 14.5887 14.5887 16.3225 16.3225 16.6237 16.6237 16.6718 16.6718 k = 0.1282 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5107 -49.5107 -23.9831 -23.9831 -23.4133 -23.4133 -16.6045 -16.6045 -16.4189 -16.4189 -7.4245 -7.4245 -6.4958 -6.4958 -6.0709 -6.0709 -5.5957 -5.5957 -4.9627 -4.9627 -4.7282 -4.7282 5.6146 5.6146 6.7563 6.7563 7.4576 7.4576 7.5713 7.5713 7.7430 7.7430 7.8476 7.8476 8.5702 8.5702 8.7676 8.7676 9.1972 9.1972 14.6538 14.6538 16.3155 16.3155 16.6203 16.6203 16.7133 16.7133 k = 0.1410 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5106 -49.5106 -23.9836 -23.9836 -23.4131 -23.4131 -16.6064 -16.6064 -16.4230 -16.4230 -7.4042 -7.4042 -6.4836 -6.4836 -6.0855 -6.0855 -5.5907 -5.5907 -4.9532 -4.9532 -4.7304 -4.7304 5.6134 5.6134 6.6788 6.6788 7.4340 7.4340 7.5583 7.5583 7.7216 7.7216 7.8627 7.8627 8.6417 8.6417 8.7075 8.7075 9.1733 9.1733 14.7238 14.7238 16.3120 16.3120 16.6164 16.6164 16.7601 16.7601 k = 0.1538 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5106 -49.5106 -23.9841 -23.9841 -23.4129 -23.4129 -16.6086 -16.6086 -16.4272 -16.4272 -7.3826 -7.3826 -6.4708 -6.4708 -6.1005 -6.1005 -5.5855 -5.5855 -4.9434 -4.9434 -4.7325 -4.7325 5.6121 5.6121 6.6025 6.6025 7.4051 7.4051 7.5445 7.5445 7.6973 7.6973 7.8788 7.8788 8.6397 8.6397 8.7198 8.7198 9.1507 9.1507 14.7984 14.7984 16.3121 16.3121 16.6125 16.6125 16.8116 16.8116 k = 0.1667 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5106 -49.5106 -23.9846 -23.9846 -23.4127 -23.4127 -16.6109 -16.6109 -16.4316 -16.4316 -7.3598 -7.3598 -6.4576 -6.4576 -6.1159 -6.1159 -5.5799 -5.5799 -4.9332 -4.9332 -4.7344 -4.7344 5.6107 5.6107 6.5276 6.5276 7.3697 7.3697 7.5300 7.5300 7.6705 7.6705 7.8955 7.8955 8.5821 8.5821 8.7883 8.7883 9.1294 9.1294 14.8770 14.8770 16.3157 16.3157 16.6091 16.6091 16.8678 16.8678 k = 0.1795 0.5000-0.0000 ( 2552 PWs) bands (ev): -49.5105 -49.5105 -23.9852 -23.9852 -23.4124 -23.4124 -16.6136 -16.6136 -16.4360 -16.4360 -7.3360 -7.3360 -6.4441 -6.4441 -6.1314 -6.1314 -5.5739 -5.5739 -4.9229 -4.9229 -4.7361 -4.7361 5.6091 5.6091 6.4544 6.4544 7.3264 7.3264 7.5148 7.5148 7.6420 7.6420 7.9130 7.9130 8.5275 8.5275 8.8556 8.8556 9.1094 9.1094 14.9591 14.9591 16.3229 16.3229 16.6061 16.6061 16.9286 16.9286 k = 0.1923 0.5000-0.0000 ( 2550 PWs) bands (ev): -49.5105 -49.5105 -23.9858 -23.9858 -23.4122 -23.4122 -16.6165 -16.6165 -16.4404 -16.4404 -7.3113 -7.3113 -6.4307 -6.4307 -6.1469 -6.1469 -5.5675 -5.5675 -4.9124 -4.9124 -4.7374 -4.7374 5.6075 5.6075 6.3830 6.3830 7.2742 7.2742 7.4991 7.4991 7.6127 7.6127 7.9312 7.9312 8.4782 8.4782 8.9198 8.9198 9.0913 9.0913 15.0441 15.0441 16.3335 16.3335 16.6038 16.6038 16.9939 16.9939 k = 0.2051 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5105 -49.5105 -23.9865 -23.9865 -23.4119 -23.4119 -16.6196 -16.6196 -16.4448 -16.4448 -7.2859 -7.2859 -6.4176 -6.4176 -6.1622 -6.1622 -5.5607 -5.5607 -4.9019 -4.9019 -4.7383 -4.7383 5.6056 5.6056 6.3135 6.3135 7.2124 7.2124 7.4830 7.4830 7.5838 7.5838 7.9499 7.9499 8.4352 8.4352 8.9781 8.9781 9.0776 9.0776 15.1315 15.1315 16.3473 16.3473 16.6023 16.6023 17.0637 17.0637 k = 0.2179 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5104 -49.5104 -23.9871 -23.9871 -23.4117 -23.4117 -16.6230 -16.6230 -16.4491 -16.4491 -7.2600 -7.2600 -6.4050 -6.4050 -6.1770 -6.1770 -5.5533 -5.5533 -4.8914 -4.8914 -4.7388 -4.7388 5.6037 5.6037 6.2461 6.2461 7.1412 7.1412 7.4667 7.4667 7.5557 7.5557 7.9691 7.9691 8.3987 8.3987 9.0171 9.0171 9.0817 9.0817 15.2207 15.2207 16.3641 16.3641 16.6016 16.6016 17.1377 17.1377 k = 0.2308 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5104 -49.5104 -23.9877 -23.9877 -23.4114 -23.4114 -16.6265 -16.6265 -16.4531 -16.4531 -7.2335 -7.2335 -6.3936 -6.3936 -6.1911 -6.1911 -5.5455 -5.5455 -4.8811 -4.8811 -4.7387 -4.7387 5.6015 5.6015 6.1810 6.1810 7.0616 7.0616 7.4501 7.4501 7.5290 7.5290 7.9885 7.9885 8.3683 8.3683 9.0187 9.0187 9.1213 9.1213 15.3111 15.3111 16.3834 16.3834 16.6020 16.6020 17.2135 17.2135 k = 0.2436 0.5000-0.0000 ( 2562 PWs) bands (ev): -49.5103 -49.5103 -23.9884 -23.9884 -23.4111 -23.4111 -16.6303 -16.6303 -16.4572 -16.4572 -7.2068 -7.2068 -6.3836 -6.3836 -6.2042 -6.2042 -5.5371 -5.5371 -4.8710 -4.8710 -4.7380 -4.7380 5.5991 5.5991 6.1182 6.1182 6.9751 6.9751 7.4334 7.4334 7.5035 7.5035 8.0082 8.0082 8.3436 8.3436 9.0071 9.0071 9.1722 9.1722 15.4022 15.4022 16.4049 16.4049 16.6037 16.6037 17.2069 17.2069 k = 0.2564 0.5000-0.0000 ( 2562 PWs) bands (ev): -49.5103 -49.5103 -23.9891 -23.9891 -23.4108 -23.4108 -16.6343 -16.6343 -16.4609 -16.4609 -7.1798 -7.1798 -6.3757 -6.3757 -6.2158 -6.2158 -5.5281 -5.5281 -4.8610 -4.8610 -4.7367 -4.7367 5.5964 5.5964 6.0578 6.0578 6.8835 6.8835 7.4167 7.4167 7.4793 7.4793 8.0279 8.0279 8.3237 8.3237 8.9935 8.9935 9.2232 9.2232 15.4932 15.4932 16.4278 16.4278 16.6071 16.6071 17.1621 17.1621 k = 0.2692 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5103 -49.5103 -23.9897 -23.9897 -23.4106 -23.4106 -16.6384 -16.6384 -16.4645 -16.4645 -7.1529 -7.1529 -6.3703 -6.3703 -6.2254 -6.2254 -5.5186 -5.5186 -4.8513 -4.8513 -4.7348 -4.7348 5.5935 5.5935 6.0000 6.0000 6.7884 6.7884 7.4002 7.4002 7.4562 7.4562 8.0476 8.0476 8.3079 8.3079 8.9800 8.9800 9.2720 9.2720 15.5837 15.5837 16.4511 16.4511 16.6128 16.6128 17.1181 17.1181 k = 0.2821 0.5000-0.0000 ( 2556 PWs) bands (ev): -49.5102 -49.5102 -23.9903 -23.9903 -23.4103 -23.4103 -16.6426 -16.6426 -16.4677 -16.4677 -7.1259 -7.1259 -6.3681 -6.3681 -6.2328 -6.2328 -5.5086 -5.5086 -4.8418 -4.8418 -4.7322 -4.7322 5.5901 5.5901 5.9449 5.9449 6.6916 6.6916 7.3839 7.3839 7.4342 7.4342 8.0671 8.0671 8.2956 8.2956 8.9671 8.9671 9.3183 9.3183 15.6728 15.6728 16.4737 16.4737 16.6217 16.6217 17.0756 17.0756 k = 0.2949 0.5000-0.0000 ( 2556 PWs) bands (ev): -49.5102 -49.5102 -23.9909 -23.9909 -23.4100 -23.4100 -16.6469 -16.6469 -16.4708 -16.4708 -7.0991 -7.0991 -6.3691 -6.3691 -6.2377 -6.2377 -5.4982 -5.4982 -4.8325 -4.8325 -4.7290 -4.7290 5.5863 5.5863 5.8924 5.8924 6.5945 6.5945 7.3679 7.3679 7.4132 7.4132 8.0862 8.0862 8.2862 8.2862 8.9549 8.9549 9.3617 9.3617 15.7601 15.7601 16.4942 16.4942 16.6349 16.6349 17.0350 17.0350 k = 0.3077 0.5000-0.0000 ( 2560 PWs) bands (ev): -49.5101 -49.5101 -23.9915 -23.9915 -23.4098 -23.4098 -16.6513 -16.6513 -16.4736 -16.4736 -7.0727 -7.0727 -6.3733 -6.3733 -6.2404 -6.2404 -5.4875 -5.4875 -4.8233 -4.8233 -4.7253 -4.7253 5.5819 5.5819 5.8428 5.8428 6.4987 6.4987 7.3523 7.3523 7.3931 7.3931 8.1049 8.1049 8.2791 8.2791 8.9436 8.9436 9.4023 9.4023 15.8448 15.8448 16.5113 16.5113 16.6530 16.6530 16.9963 16.9963 k = 0.3205 0.5000-0.0000 ( 2564 PWs) bands (ev): -49.5101 -49.5101 -23.9922 -23.9922 -23.4095 -23.4095 -16.6557 -16.6557 -16.4762 -16.4762 -7.0465 -7.0465 -6.3802 -6.3802 -6.2414 -6.2414 -5.4766 -5.4766 -4.8143 -4.8143 -4.7212 -4.7212 5.5768 5.5768 5.7960 5.7960 6.4054 6.4054 7.3372 7.3372 7.3740 7.3740 8.1230 8.1230 8.2739 8.2739 8.9331 8.9331 9.4399 9.4399 15.9263 15.9263 16.5248 16.5248 16.6760 16.6760 16.9597 16.9597 k = 0.3333 0.5000-0.0000 ( 2560 PWs) bands (ev): -49.5101 -49.5101 -23.9927 -23.9927 -23.4092 -23.4092 -16.6600 -16.6600 -16.4786 -16.4786 -7.0209 -7.0209 -6.3890 -6.3890 -6.2414 -6.2414 -5.4657 -5.4657 -4.8054 -4.8054 -4.7168 -4.7168 5.5707 5.5707 5.7521 5.7521 6.3157 6.3157 7.3227 7.3227 7.3559 7.3559 8.1403 8.1403 8.2703 8.2703 8.9234 8.9234 9.4747 9.4747 16.0040 16.0040 16.5350 16.5350 16.7029 16.7029 16.9252 16.9252 k = 0.3462 0.5000-0.0000 ( 2562 PWs) bands (ev): -49.5100 -49.5100 -23.9933 -23.9933 -23.4090 -23.4090 -16.6642 -16.6642 -16.4807 -16.4807 -6.9959 -6.9959 -6.3992 -6.3992 -6.2408 -6.2408 -5.4549 -5.4549 -4.7966 -4.7966 -4.7122 -4.7122 5.5636 5.5636 5.7113 5.7113 6.2309 6.2309 7.3088 7.3088 7.3389 7.3389 8.1568 8.1568 8.2679 8.2679 8.9147 8.9147 9.5065 9.5065 16.0773 16.0773 16.5430 16.5430 16.7324 16.7324 16.8930 16.8930 k = 0.3590 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5100 -49.5100 -23.9938 -23.9938 -23.4088 -23.4088 -16.6682 -16.6682 -16.4826 -16.4826 -6.9716 -6.9716 -6.4101 -6.4101 -6.2402 -6.2402 -5.4444 -5.4444 -4.7879 -4.7879 -4.7074 -4.7074 5.5551 5.5551 5.6735 5.6735 6.1520 6.1520 7.2956 7.2956 7.3230 7.3230 8.1722 8.1722 8.2665 8.2665 8.9067 8.9067 9.5355 9.5355 16.1455 16.1455 16.5497 16.5497 16.7632 16.7632 16.8632 16.8632 k = 0.3718 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5100 -49.5100 -23.9942 -23.9942 -23.4086 -23.4086 -16.6721 -16.6721 -16.4843 -16.4843 -6.9482 -6.9482 -6.4215 -6.4215 -6.2397 -6.2397 -5.4344 -5.4344 -4.7793 -4.7793 -4.7027 -4.7027 5.5450 5.5450 5.6387 5.6387 6.0800 6.0800 7.2832 7.2832 7.3084 7.3084 8.1866 8.1866 8.2660 8.2660 8.8996 8.8996 9.5617 9.5617 16.2081 16.2081 16.5557 16.5557 16.7941 16.7941 16.8359 16.8359 k = 0.3846 0.5000-0.0000 ( 2546 PWs) bands (ev): -49.5099 -49.5099 -23.9945 -23.9945 -23.4084 -23.4084 -16.6756 -16.6756 -16.4856 -16.4856 -6.9258 -6.9258 -6.4330 -6.4330 -6.2396 -6.2396 -5.4249 -5.4249 -4.7709 -4.7709 -4.6981 -4.6981 5.5331 5.5331 5.6071 5.6071 6.0157 6.0157 7.2716 7.2716 7.2950 7.2950 8.1996 8.1996 8.2662 8.2662 8.8932 8.8932 9.5852 9.5852 16.2645 16.2645 16.5616 16.5616 16.8095 16.8095 16.8259 16.8259 k = 0.3974 0.5000-0.0000 ( 2550 PWs) bands (ev): -49.5099 -49.5099 -23.9950 -23.9950 -23.4082 -23.4082 -16.6790 -16.6790 -16.4870 -16.4870 -6.9046 -6.9046 -6.4444 -6.4444 -6.2398 -6.2398 -5.4161 -5.4161 -4.7629 -4.7629 -4.6937 -4.6937 5.5193 5.5193 5.5786 5.5786 5.9598 5.9598 7.2610 7.2610 7.2830 7.2830 8.2112 8.2112 8.2670 8.2670 8.8876 8.8876 9.6060 9.6060 16.3141 16.3141 16.5680 16.5680 16.7878 16.7878 16.8540 16.8540 k = 0.4103 0.5000-0.0000 ( 2546 PWs) bands (ev): -49.5099 -49.5099 -23.9953 -23.9953 -23.4080 -23.4080 -16.6820 -16.6820 -16.4881 -16.4881 -6.8848 -6.8848 -6.4554 -6.4554 -6.2403 -6.2403 -5.4081 -5.4081 -4.7554 -4.7554 -4.6896 -4.6896 5.5038 5.5038 5.5533 5.5533 5.9127 5.9127 7.2513 7.2513 7.2723 7.2723 8.2213 8.2213 8.2684 8.2684 8.8828 8.8828 9.6242 9.6242 16.3565 16.3565 16.5752 16.5752 16.7680 16.7680 16.8808 16.8808 k = 0.4231 0.5000-0.0000 ( 2542 PWs) bands (ev): -49.5098 -49.5098 -23.9956 -23.9956 -23.4079 -23.4079 -16.6847 -16.6847 -16.4890 -16.4890 -6.8666 -6.8666 -6.4658 -6.4658 -6.2410 -6.2410 -5.4011 -5.4011 -4.7485 -4.7485 -4.6859 -4.6859 5.4870 5.4870 5.5312 5.5312 5.8743 5.8743 7.2428 7.2428 7.2631 7.2631 8.2296 8.2296 8.2702 8.2702 8.8786 8.8786 9.6399 9.6399 16.3914 16.3914 16.5834 16.5834 16.7508 16.7508 16.9051 16.9051 k = 0.4359 0.5000-0.0000 ( 2546 PWs) bands (ev): -49.5098 -49.5098 -23.9959 -23.9959 -23.4077 -23.4077 -16.6871 -16.6871 -16.4898 -16.4898 -6.8503 -6.8503 -6.4754 -6.4754 -6.2418 -6.2418 -5.3951 -5.3951 -4.7423 -4.7423 -4.6826 -4.6826 5.4698 5.4698 5.5125 5.5125 5.8441 5.8441 7.2353 7.2353 7.2553 7.2553 8.2362 8.2362 8.2725 8.2725 8.8751 8.8751 9.6530 9.6530 16.4186 16.4186 16.5925 16.5925 16.7363 16.7363 16.9265 16.9265 k = 0.4487 0.5000-0.0000 ( 2540 PWs) bands (ev): -49.5098 -49.5098 -23.9961 -23.9961 -23.4076 -23.4076 -16.6890 -16.6890 -16.4904 -16.4904 -6.8363 -6.8363 -6.4839 -6.4839 -6.2427 -6.2427 -5.3901 -5.3901 -4.7371 -4.7371 -4.6798 -4.6798 5.4535 5.4535 5.4972 5.4972 5.8212 5.8212 7.2291 7.2291 7.2489 7.2489 8.2412 8.2412 8.2750 8.2750 8.8723 8.8723 9.6637 9.6637 16.4388 16.4388 16.6021 16.6021 16.7244 16.7244 16.9444 16.9444 k = 0.4615 0.5000-0.0000 ( 2538 PWs) bands (ev): -49.5098 -49.5098 -23.9962 -23.9962 -23.4076 -23.4076 -16.6905 -16.6905 -16.4909 -16.4909 -6.8248 -6.8248 -6.4909 -6.4909 -6.2435 -6.2435 -5.3862 -5.3862 -4.7329 -4.7329 -4.6775 -4.6775 5.4392 5.4392 5.4854 5.4854 5.8047 5.8047 7.2242 7.2242 7.2439 7.2439 8.2447 8.2447 8.2774 8.2774 8.8702 8.8702 9.6719 9.6719 16.4529 16.4529 16.6111 16.6111 16.7152 16.7152 16.9587 16.9587 k = 0.4744 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9964 -23.9964 -23.4075 -23.4075 -16.6916 -16.6916 -16.4913 -16.4913 -6.8163 -6.8163 -6.4963 -6.4963 -6.2441 -6.2441 -5.3834 -5.3834 -4.7298 -4.7298 -4.6759 -4.6759 5.4280 5.4280 5.4769 5.4769 5.7935 5.7935 7.2207 7.2207 7.2404 7.2404 8.2469 8.2469 8.2793 8.2793 8.8686 8.8686 9.6778 9.6778 16.4620 16.4620 16.6185 16.6185 16.7087 16.7087 16.9691 16.9691 k = 0.4872 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9965 -23.9965 -23.4075 -23.4075 -16.6923 -16.6923 -16.4915 -16.4915 -6.8110 -6.8110 -6.4996 -6.4996 -6.2445 -6.2445 -5.3817 -5.3817 -4.7279 -4.7279 -4.6749 -4.6749 5.4210 5.4210 5.4718 5.4718 5.7872 5.7872 7.2186 7.2186 7.2382 7.2382 8.2482 8.2482 8.2806 8.2806 8.8677 8.8677 9.6813 9.6813 16.4671 16.4671 16.6233 16.6233 16.7048 16.7048 16.9754 16.9754 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9965 -23.9965 -23.4075 -23.4075 -16.6925 -16.6925 -16.4915 -16.4915 -6.8093 -6.8093 -6.5008 -6.5008 -6.2446 -6.2446 -5.3811 -5.3811 -4.7273 -4.7273 -4.6745 -4.6745 5.4186 5.4186 5.4702 5.4702 5.7851 5.7851 7.2178 7.2178 7.2375 7.2375 8.2486 8.2486 8.2811 8.2811 8.8674 8.8674 9.6825 9.6825 16.4687 16.4687 16.6249 16.6249 16.7035 16.7035 16.9775 16.9775 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9965 -23.9965 -23.4075 -23.4075 -16.6925 -16.6925 -16.4915 -16.4915 -6.8093 -6.8093 -6.5008 -6.5008 -6.2446 -6.2446 -5.3811 -5.3811 -4.7273 -4.7273 -4.6745 -4.6745 5.4186 5.4186 5.4702 5.4702 5.7851 5.7851 7.2178 7.2178 7.2375 7.2375 8.2486 8.2486 8.2811 8.2811 8.8674 8.8674 9.6825 9.6825 16.4687 16.4687 16.6249 16.6249 16.7035 16.7035 16.9775 16.9775 k = 0.4909 0.4909-0.0000 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9965 -23.9965 -23.4075 -23.4075 -16.6923 -16.6923 -16.4915 -16.4915 -6.8110 -6.8110 -6.4996 -6.4996 -6.2445 -6.2445 -5.3817 -5.3817 -4.7279 -4.7279 -4.6749 -4.6749 5.4210 5.4210 5.4719 5.4719 5.7872 5.7872 7.2186 7.2186 7.2382 7.2382 8.2482 8.2482 8.2806 8.2806 8.8677 8.8677 9.6813 9.6813 16.4671 16.4671 16.6232 16.6232 16.7048 16.7048 16.9754 16.9754 k = 0.4818 0.4818-0.0000 ( 2540 PWs) bands (ev): -49.5098 -49.5098 -23.9964 -23.9964 -23.4075 -23.4075 -16.6916 -16.6916 -16.4913 -16.4913 -6.8163 -6.8163 -6.4963 -6.4963 -6.2441 -6.2441 -5.3834 -5.3834 -4.7298 -4.7298 -4.6759 -4.6759 5.4283 5.4283 5.4770 5.4770 5.7934 5.7934 7.2207 7.2207 7.2404 7.2404 8.2468 8.2468 8.2794 8.2794 8.8686 8.8686 9.6778 9.6778 16.4622 16.4622 16.6181 16.6181 16.7086 16.7086 16.9692 16.9692 k = 0.4727 0.4727-0.0000 ( 2538 PWs) bands (ev): -49.5098 -49.5098 -23.9962 -23.9962 -23.4076 -23.4076 -16.6904 -16.6904 -16.4909 -16.4909 -6.8247 -6.8247 -6.4911 -6.4911 -6.2434 -6.2434 -5.3863 -5.3863 -4.7329 -4.7329 -4.6776 -4.6776 5.4401 5.4401 5.4857 5.4857 5.8038 5.8038 7.2242 7.2242 7.2440 7.2440 8.2442 8.2442 8.2778 8.2778 8.8702 8.8702 9.6719 9.6719 16.4540 16.4540 16.6096 16.6096 16.7143 16.7143 16.9595 16.9595 k = 0.4636 0.4636-0.0000 ( 2540 PWs) bands (ev): -49.5098 -49.5098 -23.9961 -23.9961 -23.4076 -23.4076 -16.6889 -16.6889 -16.4904 -16.4904 -6.8358 -6.8358 -6.4845 -6.4845 -6.2424 -6.2424 -5.3903 -5.3903 -4.7372 -4.7372 -4.6799 -4.6799 5.4563 5.4563 5.4983 5.4983 5.8182 5.8182 7.2290 7.2290 7.2492 7.2492 8.2399 8.2399 8.2764 8.2764 8.8723 8.8723 9.6638 9.6638 16.4422 16.4422 16.5975 16.5975 16.7210 16.7210 16.9472 16.9472 k = 0.4545 0.4545-0.0000 ( 2550 PWs) bands (ev): -49.5098 -49.5098 -23.9959 -23.9959 -23.4078 -23.4078 -16.6870 -16.6870 -16.4899 -16.4899 -6.8492 -6.8492 -6.4770 -6.4770 -6.2412 -6.2412 -5.3955 -5.3955 -4.7426 -4.7426 -4.6829 -4.6829 5.4762 5.4762 5.5152 5.5152 5.8368 5.8368 7.2350 7.2350 7.2560 7.2560 8.2336 8.2336 8.2755 8.2755 8.8751 8.8751 9.6534 9.6534 16.4267 16.4267 16.5818 16.5818 16.7267 16.7267 16.9343 16.9343 k = 0.4455 0.4455-0.0000 ( 2550 PWs) bands (ev): -49.5099 -49.5099 -23.9957 -23.9957 -23.4079 -23.4079 -16.6845 -16.6845 -16.4891 -16.4891 -6.8643 -6.8643 -6.4690 -6.4690 -6.2397 -6.2397 -5.4020 -5.4020 -4.7491 -4.7491 -4.6864 -4.6864 5.4988 5.4988 5.5373 5.5373 5.8594 5.8594 7.2421 7.2421 7.2645 7.2645 8.2252 8.2252 8.2754 8.2754 8.8786 8.8786 9.6409 9.6409 16.4074 16.4074 16.5626 16.5626 16.7285 16.7285 16.9237 16.9237 k = 0.4364 0.4364-0.0000 ( 2546 PWs) bands (ev): -49.5099 -49.5099 -23.9953 -23.9953 -23.4080 -23.4080 -16.6816 -16.6816 -16.4882 -16.4882 -6.8807 -6.8807 -6.4610 -6.4610 -6.2381 -6.2381 -5.4097 -5.4097 -4.7564 -4.7564 -4.6905 -4.6905 5.5232 5.5232 5.5654 5.5654 5.8859 5.8859 7.2501 7.2501 7.2748 7.2748 8.2150 8.2150 8.2761 8.2761 8.8826 8.8826 9.6263 9.6263 16.3839 16.3839 16.5397 16.5397 16.7223 16.7223 16.9189 16.9189 k = 0.4273 0.4273-0.0000 ( 2546 PWs) bands (ev): -49.5099 -49.5099 -23.9949 -23.9949 -23.4082 -23.4082 -16.6784 -16.6784 -16.4872 -16.4872 -6.8982 -6.8982 -6.4531 -6.4531 -6.2363 -6.2363 -5.4187 -5.4187 -4.7646 -4.7646 -4.6950 -4.6950 5.5491 5.5491 5.5997 5.5997 5.9164 5.9164 7.2590 7.2590 7.2869 7.2869 8.2032 8.2032 8.2775 8.2775 8.8874 8.8874 9.6096 9.6096 16.3563 16.3563 16.5130 16.5130 16.7053 16.7053 16.9226 16.9226 k = 0.4182 0.4182-0.0000 ( 2554 PWs) bands (ev): -49.5099 -49.5099 -23.9945 -23.9945 -23.4084 -23.4084 -16.6747 -16.6747 -16.4862 -16.4862 -6.9162 -6.9162 -6.4459 -6.4459 -6.2344 -6.2344 -5.4290 -5.4290 -4.7734 -4.7734 -4.7000 -4.7000 5.5766 5.5766 5.6398 5.6398 5.9507 5.9507 7.2688 7.2688 7.3008 7.3008 8.1903 8.1903 8.2795 8.2795 8.8928 8.8928 9.5911 9.5911 16.3244 16.3244 16.4823 16.4823 16.6777 16.6777 16.9342 16.9342 k = 0.4091 0.4091-0.0000 ( 2562 PWs) bands (ev): -49.5100 -49.5100 -23.9941 -23.9941 -23.4087 -23.4087 -16.6707 -16.6707 -16.4850 -16.4850 -6.9348 -6.9348 -6.4393 -6.4393 -6.2326 -6.2326 -5.4406 -5.4406 -4.7829 -4.7829 -4.7054 -4.7054 5.6061 5.6061 5.6852 5.6852 5.9888 5.9888 7.2794 7.2794 7.3165 7.3165 8.1765 8.1765 8.2820 8.2820 8.8988 8.8988 9.5707 9.5707 16.2883 16.2883 16.4474 16.4474 16.6412 16.6412 16.9514 16.9514 k = 0.4000 0.4000-0.0000 ( 2558 PWs) bands (ev): -49.5100 -49.5100 -23.9935 -23.9935 -23.4089 -23.4089 -16.6661 -16.6661 -16.4836 -16.4836 -6.9534 -6.9534 -6.4335 -6.4335 -6.2309 -6.2309 -5.4536 -5.4536 -4.7928 -4.7928 -4.7111 -4.7111 5.6378 5.6378 5.7352 5.7352 6.0306 6.0306 7.2908 7.2908 7.3339 7.3339 8.1622 8.1622 8.2851 8.2851 8.9056 8.9056 9.5486 9.5486 16.2479 16.2479 16.4079 16.4079 16.5981 16.5981 16.9713 16.9713 k = 0.3909 0.3909-0.0000 ( 2560 PWs) bands (ev): -49.5100 -49.5100 -23.9930 -23.9930 -23.4092 -23.4092 -16.6613 -16.6613 -16.4821 -16.4821 -6.9721 -6.9721 -6.4287 -6.4287 -6.2294 -6.2294 -5.4679 -5.4679 -4.8030 -4.8030 -4.7170 -4.7170 5.6720 5.6720 5.7896 5.7896 6.0759 6.0759 7.3030 7.3030 7.3531 7.3531 8.1476 8.1476 8.2887 8.2887 8.9130 8.9130 9.5250 9.5250 16.2035 16.2035 16.3636 16.3636 16.5497 16.5497 16.9917 16.9917 k = 0.3818 0.3818-0.0000 ( 2562 PWs) bands (ev): -49.5101 -49.5101 -23.9924 -23.9924 -23.4095 -23.4095 -16.6560 -16.6560 -16.4806 -16.4806 -6.9907 -6.9907 -6.4249 -6.4249 -6.2283 -6.2283 -5.4836 -5.4836 -4.8135 -4.8135 -4.7232 -4.7232 5.7085 5.7085 5.8479 5.8479 6.1247 6.1247 7.3160 7.3160 7.3739 7.3739 8.1331 8.1331 8.2928 8.2928 8.9211 8.9211 9.5000 9.5000 16.1551 16.1551 16.3143 16.3143 16.4971 16.4971 17.0106 17.0106 k = 0.3727 0.3727-0.0000 ( 2562 PWs) bands (ev): -49.5101 -49.5101 -23.9917 -23.9917 -23.4098 -23.4098 -16.6505 -16.6505 -16.4789 -16.4789 -7.0090 -7.0090 -6.4219 -6.4219 -6.2277 -6.2277 -5.5006 -5.5006 -4.8240 -4.8240 -4.7295 -4.7295 5.7475 5.7475 5.9100 5.9100 6.1770 6.1770 7.3297 7.3297 7.3963 7.3963 8.1191 8.1191 8.2974 8.2974 8.9298 8.9298 9.4736 9.4736 16.1028 16.1028 16.2601 16.2601 16.4407 16.4407 17.0262 17.0262 k = 0.3636 0.3636-0.0000 ( 2564 PWs) bands (ev): -49.5102 -49.5102 -23.9909 -23.9909 -23.4102 -23.4102 -16.6446 -16.6446 -16.4771 -16.4771 -7.0268 -7.0268 -6.4200 -6.4200 -6.2278 -6.2278 -5.5188 -5.5188 -4.8346 -4.8346 -4.7359 -4.7359 5.7888 5.7888 5.9754 5.9754 6.2325 6.2325 7.3442 7.3442 7.4203 7.4203 8.1057 8.1057 8.3026 8.3026 8.9393 8.9393 9.4462 9.4462 16.0470 16.0470 16.2010 16.2010 16.3809 16.3809 17.0369 17.0369 k = 0.3545 0.3545-0.0000 ( 2564 PWs) bands (ev): -49.5102 -49.5102 -23.9902 -23.9902 -23.4106 -23.4106 -16.6384 -16.6384 -16.4752 -16.4752 -7.0442 -7.0442 -6.4189 -6.4189 -6.2286 -6.2286 -5.5382 -5.5382 -4.8452 -4.8452 -4.7424 -4.7424 5.8324 5.8324 6.0440 6.0440 6.2911 6.2911 7.3593 7.3593 7.4458 7.4458 8.0934 8.0934 8.3083 8.3083 8.9494 8.9494 9.4177 9.4177 15.9876 15.9876 16.1374 16.1374 16.3176 16.3176 17.0415 17.0415 k = 0.3455 0.3455-0.0000 ( 2562 PWs) bands (ev): -49.5103 -49.5103 -23.9893 -23.9893 -23.4110 -23.4110 -16.6319 -16.6319 -16.4732 -16.4732 -7.0611 -7.0611 -6.4187 -6.4187 -6.2304 -6.2304 -5.5587 -5.5587 -4.8557 -4.8557 -4.7490 -4.7490 5.8781 5.8781 6.1152 6.1152 6.3529 6.3529 7.3752 7.3752 7.4728 7.4728 8.0824 8.0824 8.3147 8.3147 8.9601 8.9601 9.3884 9.3884 15.9251 15.9251 16.0697 16.0697 16.2511 16.2511 17.0386 17.0386 k = 0.3364 0.3364-0.0000 ( 2562 PWs) bands (ev): -49.5103 -49.5103 -23.9884 -23.9884 -23.4114 -23.4114 -16.6251 -16.6251 -16.4712 -16.4712 -7.0773 -7.0773 -6.4193 -6.4193 -6.2331 -6.2331 -5.5801 -5.5801 -4.8659 -4.8659 -4.7556 -4.7556 5.9260 5.9260 6.1888 6.1888 6.4176 6.4176 7.3917 7.3917 7.5012 7.5012 8.0731 8.0731 8.3217 8.3217 8.9715 8.9715 9.3585 9.3585 15.8594 15.8594 15.9983 15.9983 16.1813 16.1813 17.0273 17.0273 k = 0.3273 0.3273-0.0000 ( 2562 PWs) bands (ev): -49.5104 -49.5104 -23.9875 -23.9875 -23.4119 -23.4119 -16.6181 -16.6181 -16.4690 -16.4690 -7.0928 -7.0928 -6.4207 -6.4207 -6.2368 -6.2368 -5.6025 -5.6025 -4.8760 -4.8760 -4.7622 -4.7622 5.9758 5.9758 6.2645 6.2645 6.4852 6.4852 7.4088 7.4088 7.5311 7.5311 8.0656 8.0656 8.3294 8.3294 8.9835 8.9835 9.3280 9.3280 15.7909 15.7909 15.9237 15.9237 16.1087 16.1087 17.0072 17.0072 k = 0.3182 0.3182-0.0000 ( 2562 PWs) bands (ev): -49.5104 -49.5104 -23.9866 -23.9866 -23.4123 -23.4123 -16.6109 -16.6109 -16.4669 -16.4669 -7.1076 -7.1076 -6.4228 -6.4228 -6.2417 -6.2417 -5.6255 -5.6255 -4.8858 -4.8858 -4.7690 -4.7690 6.0274 6.0274 6.3417 6.3417 6.5555 6.5555 7.4265 7.4265 7.5622 7.5622 8.0603 8.0603 8.3379 8.3379 8.9961 8.9961 9.2973 9.2973 15.7197 15.7197 15.8464 15.8464 16.0333 16.0333 16.9780 16.9780 k = 0.3091 0.3091-0.0000 ( 2570 PWs) bands (ev): -49.5105 -49.5105 -23.9857 -23.9857 -23.4129 -23.4129 -16.6035 -16.6035 -16.4646 -16.4646 -7.1216 -7.1216 -6.4257 -6.4257 -6.2477 -6.2477 -5.6491 -5.6491 -4.8954 -4.8954 -4.7757 -4.7757 6.0806 6.0806 6.4201 6.4201 6.6284 6.6284 7.4448 7.4448 7.5946 7.5946 8.0574 8.0574 8.3472 8.3472 9.0092 9.0092 9.2664 9.2664 15.6459 15.6459 15.7668 15.7668 15.9558 15.9558 16.9401 16.9401 k = 0.3000 0.3000-0.0000 ( 2578 PWs) bands (ev): -49.5105 -49.5105 -23.9847 -23.9847 -23.4134 -23.4134 -16.5960 -16.5960 -16.4624 -16.4624 -7.1349 -7.1349 -6.4292 -6.4292 -6.2549 -6.2549 -5.6731 -5.6731 -4.9046 -4.9046 -4.7826 -4.7826 6.1354 6.1354 6.4992 6.4992 6.7039 6.7039 7.4638 7.4638 7.6283 7.6283 8.0573 8.0573 8.3574 8.3574 9.0228 9.0228 9.2356 9.2356 15.5699 15.5699 15.6853 15.6853 15.8766 15.8766 16.8939 16.8939 k = 0.2909 0.2909-0.0000 ( 2574 PWs) bands (ev): -49.5106 -49.5106 -23.9836 -23.9836 -23.4139 -23.4139 -16.5882 -16.5882 -16.4600 -16.4600 -7.1473 -7.1473 -6.4333 -6.4333 -6.2632 -6.2632 -5.6974 -5.6974 -4.9135 -4.9135 -4.7896 -4.7896 6.1915 6.1915 6.5787 6.5787 6.7816 6.7816 7.4833 7.4833 7.6631 7.6631 8.0600 8.0600 8.3686 8.3686 9.0368 9.0368 9.2051 9.2051 15.4916 15.4916 15.6023 15.6023 15.7960 15.7960 16.8401 16.8401 k = 0.2818 0.2818-0.0000 ( 2572 PWs) bands (ev): -49.5106 -49.5106 -23.9825 -23.9825 -23.4145 -23.4145 -16.5803 -16.5803 -16.4575 -16.4575 -7.1589 -7.1589 -6.4380 -6.4380 -6.2727 -6.2727 -5.7218 -5.7218 -4.9221 -4.9221 -4.7967 -4.7967 6.2487 6.2487 6.6580 6.6580 6.8615 6.8615 7.5034 7.5034 7.6989 7.6989 8.0660 8.0660 8.3808 8.3808 9.0510 9.0510 9.1753 9.1753 15.4114 15.4114 15.5183 15.5183 15.7147 15.7147 16.7795 16.7795 k = 0.2727 0.2727-0.0000 ( 2576 PWs) bands (ev): -49.5107 -49.5107 -23.9815 -23.9815 -23.4151 -23.4151 -16.5723 -16.5723 -16.4551 -16.4551 -7.1696 -7.1696 -6.4433 -6.4433 -6.2831 -6.2831 -5.7461 -5.7461 -4.9303 -4.9303 -4.8040 -4.8040 6.3068 6.3068 6.7368 6.7368 6.9431 6.9431 7.5241 7.5241 7.7358 7.7358 8.0755 8.0755 8.3942 8.3942 9.0647 9.0647 9.1470 9.1470 15.3294 15.3294 15.4336 15.4336 15.6330 15.6330 16.7128 16.7128 k = 0.2636 0.2636-0.0000 ( 2564 PWs) bands (ev): -49.5108 -49.5108 -23.9802 -23.9802 -23.4157 -23.4157 -16.5641 -16.5641 -16.4526 -16.4526 -7.1796 -7.1796 -6.4491 -6.4491 -6.2946 -6.2946 -5.7703 -5.7703 -4.9382 -4.9382 -4.8115 -4.8115 6.3656 6.3656 6.8147 6.8147 7.0262 7.0262 7.5453 7.5453 7.7737 7.7737 8.0886 8.0886 8.4089 8.4089 9.0754 9.0754 9.1229 9.1229 15.2459 15.2459 15.3486 15.3486 15.5512 15.5512 16.6308 16.6308 k = 0.2545 0.2545-0.0000 ( 2556 PWs) bands (ev): -49.5108 -49.5108 -23.9790 -23.9790 -23.4164 -23.4164 -16.5559 -16.5559 -16.4501 -16.4501 -7.1887 -7.1887 -6.4554 -6.4554 -6.3070 -6.3070 -5.7941 -5.7941 -4.9458 -4.9458 -4.8193 -4.8193 6.4247 6.4247 6.8913 6.8913 7.1103 7.1103 7.5672 7.5672 7.8123 7.8123 8.1055 8.1055 8.4249 8.4249 9.0713 9.0713 9.1149 9.1149 15.1612 15.1612 15.2636 15.2636 15.4697 15.4697 16.5275 16.5275 k = 0.2455 0.2455-0.0000 ( 2556 PWs) bands (ev): -49.5109 -49.5109 -23.9778 -23.9778 -23.4170 -23.4170 -16.5477 -16.5477 -16.4477 -16.4477 -7.1971 -7.1971 -6.4622 -6.4622 -6.3201 -6.3201 -5.8176 -5.8176 -4.9530 -4.9530 -4.8273 -4.8273 6.4840 6.4840 6.9663 6.9663 7.1949 7.1949 7.5898 7.5898 7.8518 7.8518 8.1266 8.1266 8.4425 8.4425 9.0507 9.0507 9.1249 9.1249 15.0757 15.0757 15.1788 15.1788 15.3886 15.3886 16.4252 16.4252 k = 0.2364 0.2364-0.0000 ( 2552 PWs) bands (ev): -49.5109 -49.5109 -23.9766 -23.9766 -23.4177 -23.4177 -16.5395 -16.5395 -16.4452 -16.4452 -7.2047 -7.2047 -6.4693 -6.4693 -6.3340 -6.3340 -5.8406 -5.8406 -4.9598 -4.9598 -4.8356 -4.8356 6.5432 6.5432 7.0394 7.0394 7.2795 7.2795 7.6129 7.6129 7.8919 7.8919 8.1521 8.1521 8.4616 8.4616 9.0267 9.0267 9.1400 9.1400 14.9898 14.9898 15.0944 15.0944 15.3081 15.3081 16.3248 16.3248 k = 0.2273 0.2273-0.0000 ( 2566 PWs) bands (ev): -49.5110 -49.5110 -23.9755 -23.9755 -23.4183 -23.4183 -16.5314 -16.5314 -16.4428 -16.4428 -7.2116 -7.2116 -6.4769 -6.4769 -6.3484 -6.3484 -5.8631 -5.8631 -4.9663 -4.9663 -4.8442 -4.8442 6.6018 6.6018 7.1101 7.1101 7.3635 7.3635 7.6367 7.6367 7.9325 7.9325 8.1820 8.1820 8.4825 8.4825 9.0032 9.0032 9.1566 9.1566 14.9038 14.9038 15.0106 15.0106 15.2283 15.2283 16.2264 16.2264 k = 0.2182 0.2182-0.0000 ( 2558 PWs) bands (ev): -49.5110 -49.5110 -23.9743 -23.9743 -23.4190 -23.4190 -16.5232 -16.5232 -16.4404 -16.4404 -7.2178 -7.2178 -6.4848 -6.4848 -6.3631 -6.3631 -5.8849 -5.8849 -4.9724 -4.9724 -4.8531 -4.8531 6.6597 6.6597 7.1782 7.1782 7.4464 7.4464 7.6612 7.6612 7.9736 7.9736 8.2166 8.2166 8.5050 8.5050 8.9811 8.9811 9.1739 9.1739 14.8183 14.8183 14.9275 14.9275 15.1493 15.1493 16.1303 16.1303 k = 0.2091 0.2091-0.0000 ( 2558 PWs) bands (ev): -49.5111 -49.5111 -23.9731 -23.9731 -23.4197 -23.4197 -16.5152 -16.5152 -16.4380 -16.4380 -7.2234 -7.2234 -6.4929 -6.4929 -6.3781 -6.3781 -5.9060 -5.9060 -4.9782 -4.9782 -4.8623 -4.8623 6.7165 6.7165 7.2433 7.2433 7.5276 7.5276 7.6862 7.6862 8.0151 8.0151 8.2560 8.2560 8.5292 8.5292 8.9611 8.9611 9.1916 9.1916 14.7337 14.7337 14.8452 14.8452 15.0711 15.0711 16.0365 16.0365 k = 0.2000 0.2000-0.0000 ( 2562 PWs) bands (ev): -49.5112 -49.5112 -23.9719 -23.9719 -23.4204 -23.4204 -16.5073 -16.5073 -16.4356 -16.4356 -7.2284 -7.2284 -6.5012 -6.5012 -6.3932 -6.3932 -5.9265 -5.9265 -4.9836 -4.9836 -4.8718 -4.8718 6.7718 6.7718 7.3052 7.3052 7.6067 7.6067 7.7118 7.7118 8.0567 8.0567 8.3001 8.3001 8.5548 8.5548 8.9439 8.9439 9.2097 9.2097 14.6503 14.6503 14.7639 14.7639 14.9938 14.9938 15.9453 15.9453 k = 0.1909 0.1909-0.0000 ( 2554 PWs) bands (ev): -49.5112 -49.5112 -23.9707 -23.9707 -23.4211 -23.4211 -16.4995 -16.4995 -16.4332 -16.4332 -7.2329 -7.2329 -6.5096 -6.5096 -6.4083 -6.4083 -5.9463 -5.9463 -4.9887 -4.9887 -4.8815 -4.8815 6.8254 6.8254 7.3636 7.3636 7.6828 7.6828 7.7384 7.7384 8.0984 8.0984 8.3487 8.3487 8.5813 8.5813 8.9302 8.9302 9.2280 9.2280 14.5684 14.5684 14.6836 14.6836 14.9173 14.9173 15.8567 15.8567 k = 0.1818 0.1818-0.0000 ( 2560 PWs) bands (ev): -49.5113 -49.5113 -23.9696 -23.9696 -23.4218 -23.4218 -16.4919 -16.4919 -16.4310 -16.4310 -7.2370 -7.2370 -6.5180 -6.5180 -6.4232 -6.4232 -5.9655 -5.9655 -4.9935 -4.9935 -4.8914 -4.8914 6.8769 6.8769 7.4185 7.4185 7.7490 7.7490 7.7724 7.7724 8.1401 8.1401 8.4016 8.4016 8.6079 8.6079 8.9211 8.9211 9.2464 9.2464 14.4885 14.4885 14.6046 14.6046 14.8417 14.8417 15.7710 15.7710 k = 0.1727 0.1727-0.0000 ( 2558 PWs) bands (ev): -49.5113 -49.5113 -23.9684 -23.9684 -23.4225 -23.4225 -16.4844 -16.4844 -16.4287 -16.4287 -7.2406 -7.2406 -6.5263 -6.5263 -6.4378 -6.4378 -5.9839 -5.9839 -4.9980 -4.9980 -4.9015 -4.9015 6.9260 6.9260 7.4698 7.4698 7.7829 7.7829 7.8358 7.8358 8.1815 8.1815 8.4580 8.4580 8.6333 8.6333 8.9179 8.9179 9.2649 9.2649 14.4107 14.4107 14.5271 14.5271 14.7668 14.7668 15.6883 15.6883 k = 0.1636 0.1636-0.0000 ( 2558 PWs) bands (ev): -49.5114 -49.5114 -23.9672 -23.9672 -23.4232 -23.4232 -16.4771 -16.4771 -16.4266 -16.4266 -7.2439 -7.2439 -6.5344 -6.5344 -6.4520 -6.4520 -6.0017 -6.0017 -5.0021 -5.0021 -4.9118 -4.9118 6.9724 6.9724 7.5179 7.5179 7.8080 7.8080 7.9049 7.9049 8.2225 8.2225 8.5171 8.5171 8.6560 8.6560 8.9225 8.9225 9.2834 9.2834 14.3353 14.3353 14.4511 14.4511 14.6928 14.6928 15.6087 15.6087 k = 0.1545 0.1545-0.0000 ( 2564 PWs) bands (ev): -49.5114 -49.5114 -23.9662 -23.9662 -23.4238 -23.4238 -16.4701 -16.4701 -16.4245 -16.4245 -7.2469 -7.2469 -6.5422 -6.5422 -6.4657 -6.4657 -6.0188 -6.0188 -5.0060 -5.0060 -4.9220 -4.9220 7.0160 7.0160 7.5628 7.5628 7.8310 7.8310 7.9728 7.9728 8.2629 8.2629 8.5774 8.5774 8.6750 8.6750 8.9362 8.9362 9.3020 9.3020 14.2627 14.2627 14.3769 14.3769 14.6196 14.6196 15.5325 15.5325 k = 0.1455 0.1455-0.0000 ( 2552 PWs) bands (ev): -49.5115 -49.5115 -23.9650 -23.9650 -23.4245 -23.4245 -16.4633 -16.4633 -16.4225 -16.4225 -7.2497 -7.2497 -6.5495 -6.5495 -6.4789 -6.4789 -6.0352 -6.0352 -5.0096 -5.0096 -4.9323 -4.9323 7.0564 7.0564 7.6051 7.6051 7.8522 7.8522 8.0390 8.0390 8.3026 8.3026 8.6351 8.6351 8.6920 8.6920 8.9598 8.9598 9.3205 9.3205 14.1928 14.1928 14.3046 14.3046 14.5474 14.5474 15.4596 15.4596 k = 0.1364 0.1364-0.0000 ( 2556 PWs) bands (ev): -49.5115 -49.5115 -23.9640 -23.9640 -23.4251 -23.4251 -16.4568 -16.4568 -16.4206 -16.4206 -7.2522 -7.2522 -6.5564 -6.5564 -6.4914 -6.4914 -6.0510 -6.0510 -5.0129 -5.0129 -4.9425 -4.9425 7.0937 7.0937 7.6449 7.6449 7.8714 7.8714 8.1033 8.1033 8.3414 8.3414 8.6739 8.6739 8.7228 8.7228 8.9923 8.9923 9.3390 9.3390 14.1261 14.1261 14.2344 14.2344 14.4764 14.4764 15.3904 15.3904 k = 0.1273 0.1273-0.0000 ( 2556 PWs) bands (ev): -49.5116 -49.5116 -23.9630 -23.9630 -23.4257 -23.4257 -16.4506 -16.4506 -16.4187 -16.4187 -7.2547 -7.2547 -6.5626 -6.5626 -6.5033 -6.5033 -6.0662 -6.0662 -5.0159 -5.0159 -4.9525 -4.9525 7.1278 7.1278 7.6826 7.6826 7.8887 7.8887 8.1658 8.1658 8.3791 8.3791 8.6850 8.6850 8.7765 8.7765 9.0322 9.0322 9.3574 9.3574 14.0626 14.0626 14.1665 14.1665 14.4066 14.4066 15.3249 15.3249 k = 0.1182 0.1182-0.0000 ( 2552 PWs) bands (ev): -49.5116 -49.5116 -23.9620 -23.9620 -23.4263 -23.4263 -16.4447 -16.4447 -16.4170 -16.4170 -7.2570 -7.2570 -6.5682 -6.5682 -6.5144 -6.5144 -6.0807 -6.0807 -5.0187 -5.0187 -4.9623 -4.9623 7.1586 7.1586 7.7183 7.7183 7.9040 7.9040 8.2263 8.2263 8.4154 8.4154 8.6876 8.6876 8.8341 8.8341 9.0774 9.0774 9.3756 9.3756 14.0025 14.0025 14.1010 14.1010 14.3387 14.3387 15.2632 15.2632 k = 0.1091 0.1091-0.0000 ( 2550 PWs) bands (ev): -49.5116 -49.5116 -23.9611 -23.9611 -23.4269 -23.4269 -16.4392 -16.4392 -16.4154 -16.4154 -7.2593 -7.2593 -6.5730 -6.5730 -6.5249 -6.5249 -6.0945 -6.0945 -5.0212 -5.0212 -4.9718 -4.9718 7.1861 7.1861 7.7523 7.7523 7.9173 7.9173 8.2845 8.2845 8.4502 8.4502 8.6875 8.6875 8.8901 8.8901 9.1263 9.1263 9.3937 9.3937 13.9460 13.9460 14.0381 14.0381 14.2729 14.2729 15.1990 15.1990 k = 0.1000 0.1000-0.0000 ( 2550 PWs) bands (ev): -49.5117 -49.5117 -23.9603 -23.9603 -23.4274 -23.4274 -16.4340 -16.4340 -16.4138 -16.4138 -7.2615 -7.2615 -6.5770 -6.5770 -6.5346 -6.5346 -6.1077 -6.1077 -5.0235 -5.0235 -4.9809 -4.9809 7.2106 7.2106 7.7844 7.7844 7.9287 7.9287 8.3401 8.3401 8.4832 8.4832 8.6862 8.6862 8.9428 8.9428 9.1771 9.1771 9.4116 9.4116 13.8932 13.8932 13.9779 13.9779 14.2098 14.2098 15.1268 15.1268 k = 0.0909 0.0909-0.0000 ( 2542 PWs) bands (ev): -49.5117 -49.5117 -23.9594 -23.9594 -23.4279 -23.4279 -16.4291 -16.4291 -16.4124 -16.4124 -7.2636 -7.2636 -6.5803 -6.5803 -6.5435 -6.5435 -6.1200 -6.1200 -5.0256 -5.0256 -4.9895 -4.9895 7.2322 7.2322 7.8148 7.8148 7.9385 7.9385 8.3929 8.3929 8.5143 8.5143 8.6846 8.6846 8.9916 8.9916 9.2286 9.2286 9.4293 9.4293 13.8443 13.8443 13.9207 13.9207 14.1502 14.1502 15.0584 15.0584 k = 0.0818 0.0818-0.0000 ( 2544 PWs) bands (ev): -49.5117 -49.5117 -23.9587 -23.9587 -23.4284 -23.4284 -16.4248 -16.4248 -16.4111 -16.4111 -7.2656 -7.2656 -6.5829 -6.5829 -6.5516 -6.5516 -6.1316 -6.1316 -5.0274 -5.0274 -4.9976 -4.9976 7.2510 7.2510 7.8430 7.8430 7.9468 7.9468 8.4424 8.4424 8.5432 8.5432 8.6829 8.6829 9.0360 9.0360 9.2793 9.2793 9.4465 9.4465 13.7994 13.7994 13.8667 13.8667 14.0945 14.0945 14.9943 14.9943 k = 0.0727 0.0727-0.0000 ( 2540 PWs) bands (ev): -49.5117 -49.5117 -23.9580 -23.9580 -23.4288 -23.4288 -16.4208 -16.4208 -16.4099 -16.4099 -7.2675 -7.2675 -6.5848 -6.5848 -6.5590 -6.5590 -6.1423 -6.1423 -5.0290 -5.0290 -5.0050 -5.0050 7.2672 7.2672 7.8692 7.8692 7.9537 7.9537 8.4881 8.4881 8.5697 8.5697 8.6813 8.6813 9.0757 9.0757 9.3282 9.3282 9.4633 9.4633 13.7587 13.7587 13.8162 13.8162 14.0434 14.0434 14.9352 14.9352 k = 0.0636 0.0636-0.0000 ( 2536 PWs) bands (ev): -49.5118 -49.5118 -23.9573 -23.9573 -23.4292 -23.4292 -16.4172 -16.4172 -16.4089 -16.4089 -7.2693 -7.2693 -6.5860 -6.5860 -6.5655 -6.5655 -6.1521 -6.1521 -5.0305 -5.0305 -5.0118 -5.0118 7.2810 7.2810 7.8929 7.8929 7.9594 7.9594 8.5297 8.5297 8.5936 8.5936 8.6800 8.6800 9.1105 9.1105 9.3740 9.3740 9.4792 9.4792 13.7223 13.7223 13.7696 13.7696 13.9975 13.9975 14.8815 14.8815 k = 0.0545 0.0545-0.0000 ( 2536 PWs) bands (ev): -49.5118 -49.5118 -23.9568 -23.9568 -23.4295 -23.4295 -16.4142 -16.4142 -16.4080 -16.4080 -7.2709 -7.2709 -6.5868 -6.5868 -6.5711 -6.5711 -6.1608 -6.1608 -5.0317 -5.0317 -5.0177 -5.0177 7.2926 7.2926 7.9140 7.9140 7.9641 7.9641 8.5666 8.5666 8.6148 8.6148 8.6790 8.6790 9.1404 9.1404 9.4158 9.4158 9.4941 9.4941 13.6904 13.6904 13.7275 13.7275 13.9572 13.9572 14.8337 14.8337 k = 0.0455 0.0455-0.0000 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9563 -23.9563 -23.4298 -23.4298 -16.4115 -16.4115 -16.4072 -16.4072 -7.2724 -7.2724 -6.5872 -6.5872 -6.5759 -6.5759 -6.1684 -6.1684 -5.0327 -5.0327 -5.0229 -5.0229 7.3021 7.3021 7.9323 7.9323 7.9678 7.9678 8.5986 8.5986 8.6330 8.6330 8.6784 8.6784 9.1655 9.1655 9.4527 9.4527 9.5077 9.5077 13.6631 13.6631 13.6904 13.6904 13.9228 13.9228 14.7924 14.7924 k = 0.0364 0.0364-0.0000 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9560 -23.9560 -23.4300 -23.4300 -16.4093 -16.4093 -16.4066 -16.4066 -7.2736 -7.2736 -6.5873 -6.5873 -6.5799 -6.5799 -6.1748 -6.1748 -5.0335 -5.0335 -5.0272 -5.0272 7.3096 7.3096 7.9476 7.9476 7.9706 7.9706 8.6250 8.6250 8.6480 8.6480 8.6783 8.6783 9.1857 9.1857 9.4840 9.4840 9.5194 9.5194 13.6406 13.6406 13.6589 13.6589 13.8945 13.8945 14.7580 14.7580 k = 0.0273 0.0273-0.0000 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9557 -23.9557 -23.4302 -23.4302 -16.4076 -16.4076 -16.4061 -16.4061 -7.2746 -7.2746 -6.5873 -6.5873 -6.5830 -6.5830 -6.1799 -6.1799 -5.0342 -5.0342 -5.0306 -5.0306 7.3154 7.3154 7.9597 7.9597 7.9728 7.9728 8.6456 8.6456 8.6594 8.6594 8.6791 8.6791 9.2013 9.2013 9.5091 9.5091 9.5291 9.5291 13.6230 13.6230 13.6336 13.6336 13.8724 13.8724 14.7309 14.7309 k = 0.0182 0.0182-0.0000 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9555 -23.9555 -23.4303 -23.4303 -16.4064 -16.4064 -16.4057 -16.4057 -7.2754 -7.2754 -6.5871 -6.5871 -6.5852 -6.5852 -6.1836 -6.1836 -5.0346 -5.0346 -5.0330 -5.0330 7.3195 7.3195 7.9684 7.9684 7.9743 7.9743 8.6598 8.6598 8.6666 8.6666 8.6813 8.6813 9.2123 9.2123 9.5273 9.5273 9.5362 9.5362 13.6103 13.6103 13.6152 13.6152 13.8567 13.8567 14.7112 14.7112 k = 0.0091 0.0091-0.0000 ( 2522 PWs) bands (ev): -49.5118 -49.5118 -23.9552 -23.9552 -23.4304 -23.4304 -16.4056 -16.4056 -16.4054 -16.4054 -7.2758 -7.2758 -6.5870 -6.5870 -6.5866 -6.5866 -6.1858 -6.1858 -5.0349 -5.0349 -5.0345 -5.0345 7.3219 7.3219 7.9737 7.9737 7.9752 7.9752 8.6679 8.6679 8.6697 8.6697 8.6844 8.6844 9.2189 9.2189 9.5384 9.5384 9.5407 9.5407 13.6027 13.6027 13.6039 13.6039 13.8472 13.8472 14.6994 14.6994 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -49.5118 -49.5118 -23.9551 -23.9551 -23.4304 -23.4304 -16.4053 -16.4053 -16.4053 -16.4053 -7.2760 -7.2760 -6.5870 -6.5870 -6.5870 -6.5870 -6.1865 -6.1865 -5.0350 -5.0350 -5.0350 -5.0350 7.3227 7.3227 7.9755 7.9755 7.9755 7.9755 8.6705 8.6705 8.6705 8.6705 8.6859 8.6859 9.2211 9.2211 9.5422 9.5422 9.5422 9.5422 13.6001 13.6001 13.6001 13.6001 13.8440 13.8440 14.6954 14.6954 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -49.5118 -49.5118 -23.9551 -23.9551 -23.4304 -23.4304 -16.4053 -16.4053 -16.4053 -16.4053 -7.2760 -7.2760 -6.5870 -6.5870 -6.5870 -6.5870 -6.1865 -6.1865 -5.0350 -5.0350 -5.0350 -5.0350 7.3227 7.3227 7.9755 7.9755 7.9755 7.9755 8.6705 8.6705 8.6705 8.6705 8.6859 8.6859 9.2211 9.2211 9.5422 9.5422 9.5422 9.5422 13.6001 13.6001 13.6001 13.6001 13.8440 13.8440 14.6954 14.6954 k = 0.0075 0.0075 0.0075 ( 2529 PWs) bands (ev): -49.5118 -49.5118 -23.9553 -23.9553 -23.4304 -23.4304 -16.4056 -16.4056 -16.4056 -16.4056 -7.2758 -7.2758 -6.5871 -6.5871 -6.5865 -6.5865 -6.1858 -6.1858 -5.0349 -5.0349 -5.0345 -5.0345 7.3218 7.3218 7.9736 7.9736 7.9752 7.9752 8.6678 8.6678 8.6698 8.6698 8.6844 8.6844 9.2188 9.2188 9.5391 9.5391 9.5399 9.5399 13.6032 13.6032 13.6035 13.6035 13.8472 13.8472 14.6994 14.6994 k = 0.0149 0.0149 0.0149 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9555 -23.9555 -23.4303 -23.4303 -16.4061 -16.4061 -16.4061 -16.4061 -7.2754 -7.2754 -6.5872 -6.5872 -6.5851 -6.5851 -6.1835 -6.1835 -5.0345 -5.0345 -5.0331 -5.0331 7.3194 7.3194 7.9681 7.9681 7.9745 7.9745 8.6598 8.6598 8.6656 8.6656 8.6821 8.6821 9.2123 9.2123 9.5301 9.5301 9.5332 9.5332 13.6122 13.6122 13.6136 13.6136 13.8568 13.8568 14.7114 14.7114 k = 0.0224 0.0224 0.0224 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9557 -23.9557 -23.4302 -23.4302 -16.4069 -16.4069 -16.4069 -16.4069 -7.2746 -7.2746 -6.5875 -6.5875 -6.5828 -6.5828 -6.1798 -6.1798 -5.0340 -5.0340 -5.0307 -5.0307 7.3153 7.3153 7.9590 7.9590 7.9733 7.9733 8.6465 8.6465 8.6547 8.6547 8.6825 8.6825 9.2014 9.2014 9.5152 9.5152 9.5220 9.5220 13.6273 13.6273 13.6302 13.6302 13.8725 13.8725 14.7313 14.7313 k = 0.0299 0.0299 0.0299 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9560 -23.9560 -23.4300 -23.4300 -16.4080 -16.4080 -16.4079 -16.4079 -7.2734 -7.2734 -6.5879 -6.5879 -6.5795 -6.5795 -6.1746 -6.1746 -5.0332 -5.0332 -5.0275 -5.0275 7.3095 7.3095 7.9464 7.9464 7.9715 7.9715 8.6283 8.6283 8.6372 8.6372 8.6852 8.6852 9.1863 9.1863 9.4947 9.4947 9.5066 9.5066 13.6481 13.6481 13.6530 13.6530 13.8943 13.8943 14.7587 14.7587 k = 0.0373 0.0373 0.0373 ( 2532 PWs) bands (ev): -49.5118 -49.5118 -23.9563 -23.9563 -23.4298 -23.4298 -16.4094 -16.4094 -16.4093 -16.4093 -7.2719 -7.2719 -6.5883 -6.5883 -6.5752 -6.5752 -6.1681 -6.1681 -5.0322 -5.0322 -5.0233 -5.0233 7.3018 7.3018 7.9304 7.9304 7.9690 7.9690 8.6053 8.6053 8.6144 8.6144 8.6896 8.6896 9.1670 9.1670 9.4690 9.4690 9.4872 9.4872 13.6746 13.6746 13.6818 13.6818 13.9218 13.9218 14.7936 14.7936 k = 0.0448 0.0448 0.0448 ( 2535 PWs) bands (ev): -49.5118 -49.5118 -23.9568 -23.9568 -23.4295 -23.4295 -16.4112 -16.4112 -16.4111 -16.4111 -7.2700 -7.2700 -6.5887 -6.5887 -6.5701 -6.5701 -6.1603 -6.1603 -5.0310 -5.0310 -5.0183 -5.0183 7.2922 7.2922 7.9113 7.9113 7.9657 7.9657 8.5778 8.5778 8.5866 8.5866 8.6951 8.6951 9.1438 9.1438 9.4384 9.4384 9.4638 9.4638 13.7066 13.7066 13.7161 13.7161 13.9548 13.9548 14.8354 14.8354 k = 0.0522 0.0522 0.0522 ( 2544 PWs) bands (ev): -49.5118 -49.5118 -23.9575 -23.9575 -23.4292 -23.4292 -16.4133 -16.4133 -16.4132 -16.4132 -7.2676 -7.2676 -6.5891 -6.5891 -6.5640 -6.5640 -6.1513 -6.1513 -5.0296 -5.0296 -5.0124 -5.0124 7.2805 7.2805 7.8893 7.8893 7.9615 7.9615 8.5464 8.5464 8.5544 8.5544 8.7018 8.7018 9.1166 9.1166 9.4036 9.4036 9.4369 9.4369 13.7438 13.7438 13.7555 13.7555 13.9929 13.9929 14.8837 14.8837 k = 0.0597 0.0597 0.0597 ( 2544 PWs) bands (ev): -49.5118 -49.5118 -23.9581 -23.9581 -23.4288 -23.4288 -16.4157 -16.4157 -16.4155 -16.4155 -7.2647 -7.2647 -6.5894 -6.5894 -6.5570 -6.5570 -6.1412 -6.1412 -5.0280 -5.0280 -5.0058 -5.0058 7.2666 7.2666 7.8645 7.8645 7.9562 7.9562 8.5114 8.5114 8.5181 8.5181 8.7095 8.7095 9.0856 9.0856 9.3650 9.3650 9.4066 9.4066 13.7860 13.7860 13.7994 13.7994 14.0356 14.0356 14.9381 14.9381 k = 0.0672 0.0672 0.0672 ( 2538 PWs) bands (ev): -49.5117 -49.5117 -23.9587 -23.9587 -23.4284 -23.4284 -16.4184 -16.4184 -16.4180 -16.4180 -7.2613 -7.2613 -6.5895 -6.5895 -6.5491 -6.5491 -6.1301 -6.1301 -5.0262 -5.0262 -4.9984 -4.9984 7.2502 7.2502 7.8374 7.8374 7.9495 7.9495 8.4734 8.4734 8.4780 8.4780 8.7183 8.7183 9.0508 9.0508 9.3235 9.3235 9.3734 9.3734 13.8330 13.8330 13.8474 13.8474 14.0826 14.0826 14.9981 14.9981 k = 0.0746 0.0746 0.0746 ( 2538 PWs) bands (ev): -49.5117 -49.5117 -23.9594 -23.9594 -23.4279 -23.4279 -16.4213 -16.4213 -16.4209 -16.4209 -7.2572 -7.2572 -6.5895 -6.5895 -6.5402 -6.5402 -6.1181 -6.1181 -5.0243 -5.0243 -4.9904 -4.9904 7.2311 7.2311 7.8081 7.8081 7.9411 7.9411 8.4330 8.4330 8.4345 8.4345 8.7281 8.7281 9.0121 9.0121 9.2798 9.2798 9.3376 9.3376 13.8845 13.8845 13.8988 13.8988 14.1335 14.1335 15.0630 15.0630 k = 0.0821 0.0821 0.0821 ( 2544 PWs) bands (ev): -49.5117 -49.5117 -23.9603 -23.9603 -23.4274 -23.4274 -16.4245 -16.4245 -16.4241 -16.4241 -7.2524 -7.2524 -6.5892 -6.5892 -6.5305 -6.5305 -6.1053 -6.1053 -5.0223 -5.0223 -4.9818 -4.9818 7.2093 7.2093 7.7769 7.7769 7.9306 7.9306 8.3880 8.3880 8.3907 8.3907 8.7389 8.7389 8.9695 8.9695 9.2348 9.2348 9.2996 9.2996 13.9403 13.9403 13.9533 13.9533 14.1878 14.1878 15.1322 15.1322 k = 0.0896 0.0896 0.0896 ( 2556 PWs) bands (ev): -49.5116 -49.5116 -23.9613 -23.9613 -23.4269 -23.4269 -16.4281 -16.4281 -16.4277 -16.4277 -7.2470 -7.2470 -6.5887 -6.5887 -6.5200 -6.5200 -6.0919 -6.0919 -5.0202 -5.0202 -4.9726 -4.9726 7.1845 7.1845 7.7443 7.7443 7.9175 7.9175 8.3389 8.3389 8.3472 8.3472 8.7506 8.7506 8.9227 8.9227 9.1893 9.1893 9.2599 9.2599 14.0000 14.0000 14.0104 14.0104 14.2454 14.2454 15.2052 15.2052 k = 0.0970 0.0970 0.0970 ( 2556 PWs) bands (ev): -49.5116 -49.5116 -23.9622 -23.9622 -23.4263 -23.4263 -16.4319 -16.4319 -16.4314 -16.4314 -7.2407 -7.2407 -6.5879 -6.5879 -6.5085 -6.5085 -6.0778 -6.0778 -5.0179 -5.0179 -4.9630 -4.9630 7.1567 7.1567 7.7103 7.7103 7.9013 7.9013 8.2874 8.2874 8.3032 8.3032 8.7632 8.7632 8.8718 8.8718 9.1444 9.1444 9.2189 9.2189 14.0634 14.0634 14.0697 14.0697 14.3059 14.3059 15.2812 15.2812 k = 0.1045 0.1045 0.1045 ( 2556 PWs) bands (ev): -49.5115 -49.5115 -23.9632 -23.9632 -23.4257 -23.4257 -16.4359 -16.4359 -16.4354 -16.4354 -7.2336 -7.2336 -6.5868 -6.5868 -6.4962 -6.4962 -6.0633 -6.0633 -5.0156 -5.0156 -4.9529 -4.9529 7.1258 7.1258 7.6752 7.6752 7.8815 7.8815 8.2339 8.2339 8.2593 8.2593 8.7763 8.7763 8.8169 8.8169 9.1007 9.1007 9.1773 9.1773 14.1300 14.1300 14.1308 14.1308 14.3692 14.3692 15.3596 15.3596 k = 0.1119 0.1119 0.1119 ( 2557 PWs) bands (ev): -49.5115 -49.5115 -23.9642 -23.9642 -23.4251 -23.4251 -16.4402 -16.4402 -16.4396 -16.4396 -7.2256 -7.2256 -6.5853 -6.5853 -6.4831 -6.4831 -6.0483 -6.0483 -5.0133 -5.0133 -4.9426 -4.9426 7.0917 7.0917 7.6392 7.6392 7.8574 7.8574 8.1788 8.1788 8.2162 8.2162 8.7555 8.7555 8.7926 8.7926 9.0590 9.0590 9.1355 9.1355 14.1934 14.1934 14.1995 14.1995 14.4353 14.4353 15.4397 15.4397 k = 0.1194 0.1194 0.1194 ( 2557 PWs) bands (ev): -49.5114 -49.5114 -23.9653 -23.9653 -23.4244 -23.4244 -16.4447 -16.4447 -16.4441 -16.4441 -7.2167 -7.2167 -6.5835 -6.5835 -6.4691 -6.4691 -6.0331 -6.0331 -5.0109 -5.0109 -4.9320 -4.9320 7.0547 7.0547 7.6023 7.6023 7.8287 7.8287 8.1222 8.1222 8.1742 8.1742 8.6923 8.6923 8.8074 8.8074 9.0199 9.0199 9.0941 9.0941 14.2574 14.2574 14.2714 14.2714 14.5044 14.5044 15.5208 15.5208 k = 0.1269 0.1269 0.1269 ( 2563 PWs) bands (ev): -49.5114 -49.5114 -23.9665 -23.9665 -23.4237 -23.4237 -16.4495 -16.4495 -16.4488 -16.4488 -7.2068 -7.2068 -6.5812 -6.5812 -6.4543 -6.4543 -6.0176 -6.0176 -5.0086 -5.0086 -4.9213 -4.9213 7.0149 7.0149 7.5645 7.5645 7.7952 7.7952 8.0646 8.0646 8.1335 8.1335 8.6248 8.6248 8.8235 8.8235 8.9836 8.9836 9.0539 9.0539 14.3224 14.3224 14.3452 14.3452 14.5765 14.5765 15.6021 15.6021 k = 0.1343 0.1343 0.1343 ( 2557 PWs) bands (ev): -49.5113 -49.5113 -23.9675 -23.9675 -23.4230 -23.4230 -16.4544 -16.4544 -16.4537 -16.4537 -7.1959 -7.1959 -6.5786 -6.5786 -6.4387 -6.4387 -6.0019 -6.0019 -5.0062 -5.0062 -4.9105 -4.9105 6.9725 6.9725 7.5260 7.5260 7.7570 7.7570 8.0060 8.0060 8.0936 8.0936 8.5538 8.5538 8.8406 8.8406 8.9504 8.9504 9.0155 9.0155 14.3885 14.3885 14.4202 14.4202 14.6520 14.6520 15.6830 15.6830 k = 0.1418 0.1418 0.1418 ( 2560 PWs) bands (ev): -49.5113 -49.5113 -23.9688 -23.9688 -23.4223 -23.4223 -16.4595 -16.4595 -16.4588 -16.4588 -7.1839 -7.1839 -6.5756 -6.5756 -6.4224 -6.4224 -5.9862 -5.9862 -5.0040 -5.0040 -4.8998 -4.8998 6.9279 6.9279 7.4865 7.4865 7.7146 7.7146 7.9467 7.9467 8.0541 8.0541 8.4797 8.4797 8.8584 8.8584 8.9205 8.9205 8.9796 8.9796 14.4554 14.4554 14.4960 14.4960 14.7311 14.7311 15.7626 15.7626 k = 0.1493 0.1493 0.1493 ( 2566 PWs) bands (ev): -49.5112 -49.5112 -23.9700 -23.9700 -23.4216 -23.4216 -16.4649 -16.4649 -16.4642 -16.4642 -7.1708 -7.1708 -6.5721 -6.5721 -6.4053 -6.4053 -5.9704 -5.9704 -5.0018 -5.0018 -4.8892 -4.8892 6.8813 6.8813 7.4461 7.4461 7.6686 7.6686 7.8868 7.8868 8.0142 8.0142 8.4030 8.4030 8.8770 8.8770 8.8941 8.8941 8.9467 8.9467 14.5233 14.5233 14.5720 14.5720 14.8139 14.8139 15.8403 15.8403 k = 0.1567 0.1567 0.1567 ( 2557 PWs) bands (ev): -49.5112 -49.5112 -23.9712 -23.9712 -23.4209 -23.4209 -16.4703 -16.4703 -16.4696 -16.4696 -7.1566 -7.1566 -6.5682 -6.5682 -6.3875 -6.3875 -5.9546 -5.9546 -4.9996 -4.9996 -4.8788 -4.8788 6.8333 6.8333 7.4048 7.4048 7.6198 7.6198 7.8264 7.8264 7.9731 7.9731 8.3239 8.3239 8.8710 8.8710 8.8965 8.8965 8.9174 8.9174 14.5919 14.5919 14.6479 14.6479 14.9006 14.9006 15.9155 15.9155 k = 0.1642 0.1642 0.1642 ( 2557 PWs) bands (ev): -49.5111 -49.5111 -23.9725 -23.9725 -23.4202 -23.4202 -16.4759 -16.4759 -16.4753 -16.4753 -7.1413 -7.1413 -6.5638 -6.5638 -6.3690 -6.3690 -5.9389 -5.9389 -4.9977 -4.9977 -4.8687 -4.8687 6.7841 6.7841 7.3626 7.3626 7.5688 7.5688 7.7657 7.7657 7.9299 7.9299 8.2429 8.2429 8.8517 8.8517 8.8922 8.8922 8.9165 8.9165 14.6613 14.6613 14.7234 14.7234 14.9908 14.9908 15.9874 15.9874 k = 0.1716 0.1716 0.1716 ( 2557 PWs) bands (ev): -49.5110 -49.5110 -23.9738 -23.9738 -23.4194 -23.4194 -16.4817 -16.4817 -16.4812 -16.4812 -7.1249 -7.1249 -6.5591 -6.5591 -6.3498 -6.3498 -5.9234 -5.9234 -4.9958 -4.9958 -4.8590 -4.8590 6.7342 6.7342 7.3193 7.3193 7.5163 7.5163 7.7047 7.7047 7.8842 7.8842 8.1603 8.1603 8.8359 8.8359 8.8714 8.8714 8.9373 8.9373 14.7315 14.7315 14.7986 14.7986 15.0844 15.0844 16.0557 16.0557 k = 0.1791 0.1791 0.1791 ( 2563 PWs) bands (ev): -49.5110 -49.5110 -23.9751 -23.9751 -23.4187 -23.4187 -16.4876 -16.4876 -16.4873 -16.4873 -7.1073 -7.1073 -6.5538 -6.5538 -6.3300 -6.3300 -5.9079 -5.9079 -4.9942 -4.9942 -4.8498 -4.8498 6.6840 6.6840 7.2753 7.2753 7.4629 7.4629 7.6436 7.6436 7.8356 7.8356 8.0764 8.0764 8.8237 8.8237 8.8551 8.8551 8.9587 8.9587 14.8025 14.8025 14.8735 14.8735 15.1806 15.1806 16.1202 16.1202 k = 0.1866 0.1866 0.1866 ( 2572 PWs) bands (ev): -49.5109 -49.5109 -23.9766 -23.9766 -23.4179 -23.4179 -16.4938 -16.4938 -16.4934 -16.4934 -7.0886 -7.0886 -6.5482 -6.5482 -6.3095 -6.3095 -5.8927 -5.8927 -4.9928 -4.9928 -4.8412 -4.8412 6.6339 6.6339 7.2304 7.2304 7.4090 7.4090 7.5822 7.5822 7.7840 7.7840 7.9913 7.9913 8.8150 8.8150 8.8433 8.8433 8.9806 8.9806 14.8742 14.8742 14.9481 14.9481 15.2788 15.2788 16.1807 16.1807 k = 0.1940 0.1940 0.1940 ( 2566 PWs) bands (ev): -49.5109 -49.5109 -23.9778 -23.9778 -23.4172 -23.4172 -16.4999 -16.4999 -16.4996 -16.4996 -7.0688 -7.0688 -6.5421 -6.5421 -6.2885 -6.2885 -5.8777 -5.8777 -4.9915 -4.9915 -4.8332 -4.8332 6.5841 6.5841 7.1848 7.1848 7.3551 7.3551 7.5208 7.5208 7.7295 7.7295 7.9054 7.9054 8.8099 8.8099 8.8360 8.8360 9.0031 9.0031 14.9467 14.9467 15.0225 15.0225 15.3781 15.3781 16.2374 16.2374 k = 0.2015 0.2015 0.2015 ( 2566 PWs) bands (ev): -49.5108 -49.5108 -23.9792 -23.9792 -23.4164 -23.4164 -16.5061 -16.5061 -16.5060 -16.5060 -7.0479 -7.0479 -6.5357 -6.5357 -6.2668 -6.2668 -5.8630 -5.8630 -4.9906 -4.9906 -4.8260 -4.8260 6.5350 6.5350 7.1387 7.1387 7.3013 7.3013 7.4594 7.4594 7.6721 7.6721 7.8190 7.8190 8.8081 8.8081 8.8329 8.8329 9.0261 9.0261 15.0198 15.0198 15.0969 15.0969 15.4774 15.4774 16.2911 16.2911 k = 0.2090 0.2090 0.2090 ( 2563 PWs) bands (ev): -49.5107 -49.5107 -23.9805 -23.9805 -23.4157 -23.4157 -16.5124 -16.5124 -16.5124 -16.5124 -7.0260 -7.0260 -6.5288 -6.5288 -6.2447 -6.2447 -5.8485 -5.8485 -4.9899 -4.9899 -4.8195 -4.8195 6.4870 6.4870 7.0923 7.0923 7.2481 7.2481 7.3980 7.3980 7.6123 7.6123 7.7321 7.7321 8.8097 8.8097 8.8338 8.8338 9.0496 9.0496 15.0936 15.0936 15.1712 15.1712 15.5754 15.5754 16.3426 16.3426 k = 0.2164 0.2164 0.2164 ( 2566 PWs) bands (ev): -49.5107 -49.5107 -23.9819 -23.9819 -23.4150 -23.4150 -16.5189 -16.5189 -16.5187 -16.5187 -7.0030 -7.0030 -6.5215 -6.5215 -6.2220 -6.2220 -5.8342 -5.8342 -4.9895 -4.9895 -4.8139 -4.8139 6.4402 6.4402 7.0455 7.0455 7.1955 7.1955 7.3367 7.3367 7.5502 7.5502 7.6452 7.6452 8.8145 8.8145 8.8385 8.8385 9.0735 9.0735 15.1679 15.1679 15.2456 15.2456 15.6706 15.6706 16.3934 16.3934 k = 0.2239 0.2239 0.2239 ( 2566 PWs) bands (ev): -49.5106 -49.5106 -23.9833 -23.9833 -23.4142 -23.4142 -16.5255 -16.5255 -16.5251 -16.5251 -6.9790 -6.9790 -6.5138 -6.5138 -6.1988 -6.1988 -5.8203 -5.8203 -4.9893 -4.9893 -4.8093 -4.8093 6.3949 6.3949 6.9987 6.9987 7.1438 7.1438 7.2757 7.2757 7.4863 7.4863 7.5583 7.5583 8.8223 8.8223 8.8466 8.8466 9.0977 9.0977 15.2427 15.2427 15.3199 15.3199 15.7611 15.7611 16.4452 16.4452 k = 0.2313 0.2313 0.2313 ( 2566 PWs) bands (ev): -49.5105 -49.5105 -23.9846 -23.9846 -23.4135 -23.4135 -16.5320 -16.5320 -16.5315 -16.5315 -6.9541 -6.9541 -6.5058 -6.5058 -6.1752 -6.1752 -5.8066 -5.8066 -4.9896 -4.9896 -4.8057 -4.8057 6.3513 6.3513 6.9519 6.9519 7.0931 7.0931 7.2150 7.2150 7.4209 7.4209 7.4717 7.4717 8.8329 8.8329 8.8579 8.8579 9.1223 9.1223 15.3178 15.3178 15.3940 15.3940 15.8450 15.8450 16.5001 16.5001 k = 0.2388 0.2388 0.2388 ( 2560 PWs) bands (ev): -49.5104 -49.5104 -23.9859 -23.9859 -23.4128 -23.4128 -16.5386 -16.5386 -16.5379 -16.5379 -6.9283 -6.9283 -6.4973 -6.4973 -6.1511 -6.1511 -5.7932 -5.7932 -4.9901 -4.9901 -4.8031 -4.8031 6.3095 6.3095 6.9051 6.9051 7.0435 7.0435 7.1546 7.1546 7.3543 7.3543 7.3857 7.3857 8.8463 8.8463 8.8720 8.8720 9.1472 9.1472 15.3932 15.3932 15.4679 15.4679 15.9202 15.9202 16.5600 16.5600 k = 0.2463 0.2463 0.2463 ( 2560 PWs) bands (ev): -49.5104 -49.5104 -23.9873 -23.9873 -23.4121 -23.4121 -16.5451 -16.5451 -16.5444 -16.5444 -6.9017 -6.9017 -6.4886 -6.4886 -6.1267 -6.1267 -5.7801 -5.7801 -4.9910 -4.9910 -4.8016 -4.8016 6.2698 6.2698 6.8585 6.8585 6.9951 6.9951 7.0948 7.0948 7.2870 7.2870 7.3006 7.3006 8.8623 8.8623 8.8888 8.8888 9.1722 9.1722 15.4686 15.4686 15.5414 15.5414 15.9852 15.9852 16.6267 16.6267 k = 0.2537 0.2537 0.2537 ( 2560 PWs) bands (ev): -49.5103 -49.5103 -23.9886 -23.9886 -23.4114 -23.4114 -16.5517 -16.5517 -16.5508 -16.5508 -6.8744 -6.8744 -6.4795 -6.4795 -6.1020 -6.1020 -5.7672 -5.7672 -4.9923 -4.9923 -4.8012 -4.8012 6.2320 6.2320 6.8121 6.8121 6.9479 6.9479 7.0355 7.0355 7.2166 7.2166 7.2191 7.2191 8.8808 8.8808 8.9081 8.9081 9.1974 9.1974 15.5439 15.5439 15.6141 15.6141 16.0396 16.0396 16.7007 16.7007 k = 0.2612 0.2612 0.2612 ( 2554 PWs) bands (ev): -49.5102 -49.5102 -23.9899 -23.9899 -23.4107 -23.4107 -16.5582 -16.5582 -16.5572 -16.5572 -6.8464 -6.8464 -6.4701 -6.4701 -6.0769 -6.0769 -5.7546 -5.7546 -4.9940 -4.9940 -4.8020 -4.8020 6.1964 6.1964 6.7660 6.7660 6.9021 6.9021 6.9768 6.9768 7.1342 7.1342 7.1510 7.1510 8.9015 8.9015 8.9295 8.9295 9.2228 9.2228 15.6187 15.6187 15.6857 15.6857 16.0837 16.0837 16.7816 16.7816 k = 0.2687 0.2687 0.2687 ( 2542 PWs) bands (ev): -49.5101 -49.5101 -23.9911 -23.9911 -23.4100 -23.4100 -16.5646 -16.5646 -16.5634 -16.5634 -6.8178 -6.8178 -6.4603 -6.4603 -6.0516 -6.0516 -5.7422 -5.7422 -4.9961 -4.9961 -4.8039 -4.8039 6.1630 6.1630 6.7200 6.7200 6.8577 6.8577 6.9186 6.9186 7.0539 7.0539 7.0831 7.0831 8.9243 8.9243 8.9530 8.9530 9.2482 9.2482 15.6929 15.6929 15.7558 15.7558 16.1189 16.1189 16.8682 16.8682 k = 0.2761 0.2761 0.2761 ( 2542 PWs) bands (ev): -49.5100 -49.5100 -23.9924 -23.9924 -23.4093 -23.4093 -16.5710 -16.5710 -16.5697 -16.5697 -6.7888 -6.7888 -6.4503 -6.4503 -6.0260 -6.0260 -5.7301 -5.7301 -4.9985 -4.9985 -4.8071 -4.8071 6.1316 6.1316 6.6743 6.6743 6.8146 6.8146 6.8606 6.8606 6.9765 6.9765 7.0154 7.0154 8.9491 8.9491 8.9783 8.9783 9.2736 9.2736 15.7661 15.7661 15.8238 15.8238 16.1470 16.1470 16.9588 16.9588 k = 0.2836 0.2836 0.2836 ( 2533 PWs) bands (ev): -49.5100 -49.5100 -23.9936 -23.9936 -23.4086 -23.4086 -16.5773 -16.5773 -16.5759 -16.5759 -6.7594 -6.7594 -6.4399 -6.4399 -6.0003 -6.0003 -5.7181 -5.7181 -5.0014 -5.0014 -4.8115 -4.8115 6.1022 6.1022 6.6287 6.6287 6.7728 6.7728 6.8023 6.8023 6.9030 6.9030 6.9484 6.9484 8.9756 8.9756 9.0052 9.0052 9.2989 9.2989 15.8379 15.8379 15.8890 15.8890 16.1698 16.1698 17.0516 17.0516 k = 0.2910 0.2910 0.2910 ( 2533 PWs) bands (ev): -49.5099 -49.5099 -23.9949 -23.9949 -23.4080 -23.4080 -16.5835 -16.5835 -16.5820 -16.5820 -6.7298 -6.7298 -6.4293 -6.4293 -5.9744 -5.9744 -5.7063 -5.7063 -5.0047 -5.0047 -4.8171 -4.8171 6.0746 6.0746 6.5832 6.5832 6.7324 6.7324 6.7429 6.7429 6.8346 6.8346 6.8823 6.8823 9.0039 9.0039 9.0337 9.0337 9.3241 9.3241 15.9079 15.9079 15.9502 15.9502 16.1894 16.1894 17.1450 17.1450 k = 0.2985 0.2985 0.2985 ( 2539 PWs) bands (ev): -49.5098 -49.5098 -23.9962 -23.9962 -23.4073 -23.4073 -16.5897 -16.5897 -16.5882 -16.5882 -6.7001 -6.7001 -6.4183 -6.4183 -5.9484 -5.9484 -5.6946 -5.6946 -5.0085 -5.0085 -4.8239 -4.8239 6.0486 6.0486 6.5379 6.5379 6.6819 6.6819 6.6930 6.6930 6.7725 6.7725 6.8175 6.8175 9.0337 9.0337 9.0636 9.0636 9.3492 9.3492 15.9755 15.9755 16.0058 16.0058 16.2079 16.2079 17.2377 17.2377 k = 0.3060 0.3060 0.3060 ( 2527 PWs) bands (ev): -49.5098 -49.5098 -23.9973 -23.9973 -23.4067 -23.4067 -16.5956 -16.5956 -16.5940 -16.5940 -6.6705 -6.6705 -6.4069 -6.4069 -5.9223 -5.9223 -5.6831 -5.6831 -5.0126 -5.0126 -4.8318 -4.8318 6.0239 6.0239 6.4926 6.4926 6.6195 6.6195 6.6545 6.6545 6.7168 6.7168 6.7544 6.7544 9.0648 9.0648 9.0946 9.0946 9.3740 9.3740 16.0403 16.0403 16.0539 16.0539 16.2274 16.2274 17.3284 17.3284 k = 0.3134 0.3134 0.3134 ( 2527 PWs) bands (ev): -49.5097 -49.5097 -23.9986 -23.9986 -23.4061 -23.4061 -16.6015 -16.6015 -16.5999 -16.5999 -6.6411 -6.6411 -6.3951 -6.3951 -5.8961 -5.8961 -5.6716 -5.6716 -5.0173 -5.0173 -4.8409 -4.8409 6.0000 6.0000 6.4478 6.4478 6.5570 6.5570 6.6161 6.6161 6.6670 6.6670 6.6940 6.6940 9.0971 9.0971 9.1267 9.1267 9.3986 9.3986 16.0921 16.0921 16.1015 16.1015 16.2503 16.2503 17.4163 17.4163 k = 0.3209 0.3209 0.3209 ( 2533 PWs) bands (ev): -49.5096 -49.5096 -23.9998 -23.9998 -23.4055 -23.4055 -16.6073 -16.6073 -16.6056 -16.6056 -6.6123 -6.6123 -6.3828 -6.3828 -5.8700 -5.8700 -5.6602 -5.6602 -5.0223 -5.0223 -4.8512 -4.8512 5.9764 5.9764 6.4037 6.4037 6.4959 6.4959 6.5761 6.5761 6.6218 6.6218 6.6380 6.6380 9.1304 9.1304 9.1597 9.1597 9.4228 9.4228 16.1193 16.1193 16.1584 16.1584 16.2772 16.2772 17.5003 17.5003 k = 0.3284 0.3284 0.3284 ( 2533 PWs) bands (ev): -49.5096 -49.5096 -24.0010 -24.0010 -23.4049 -23.4049 -16.6129 -16.6129 -16.6111 -16.6111 -6.5841 -6.5841 -6.3698 -6.3698 -5.8439 -5.8439 -5.6488 -5.6488 -5.0278 -5.0278 -4.8626 -4.8626 5.9523 5.9523 6.3608 6.3608 6.4371 6.4371 6.5320 6.5320 6.5805 6.5805 6.5892 6.5892 9.1646 9.1646 9.1935 9.1935 9.4466 9.4466 16.1370 16.1370 16.2102 16.2102 16.3065 16.3065 17.5796 17.5796 k = 0.3358 0.3358 0.3358 ( 2533 PWs) bands (ev): -49.5095 -49.5095 -24.0021 -24.0021 -23.4043 -23.4043 -16.6183 -16.6183 -16.6165 -16.6165 -6.5569 -6.5569 -6.3562 -6.3562 -5.8179 -5.8179 -5.6374 -5.6374 -5.0338 -5.0338 -4.8750 -4.8750 5.9270 5.9270 6.3202 6.3202 6.3815 6.3815 6.4825 6.4825 6.5425 6.5425 6.5490 6.5490 9.1995 9.1995 9.2278 9.2278 9.4699 9.4699 16.1477 16.1477 16.2561 16.2561 16.3349 16.3349 17.6534 17.6534 k = 0.3433 0.3433 0.3433 ( 2533 PWs) bands (ev): -49.5094 -49.5094 -24.0032 -24.0032 -23.4038 -23.4038 -16.6235 -16.6235 -16.6217 -16.6217 -6.5310 -6.5310 -6.3416 -6.3416 -5.7921 -5.7921 -5.6259 -5.6259 -5.0402 -5.0402 -4.8884 -4.8884 5.8996 5.8996 6.2828 6.2828 6.3292 6.3292 6.4300 6.4300 6.5073 6.5073 6.5150 6.5150 9.2349 9.2349 9.2626 9.2626 9.4927 9.4927 16.1538 16.1538 16.2953 16.2953 16.3596 16.3596 17.7205 17.7205 k = 0.3507 0.3507 0.3507 ( 2530 PWs) bands (ev): -49.5094 -49.5094 -24.0043 -24.0043 -23.4032 -23.4032 -16.6285 -16.6285 -16.6268 -16.6268 -6.5067 -6.5067 -6.3261 -6.3261 -5.7664 -5.7664 -5.6144 -5.6144 -5.0470 -5.0470 -4.9028 -4.9028 5.8695 5.8695 6.2495 6.2495 6.2804 6.2804 6.3771 6.3771 6.4747 6.4747 6.4849 6.4849 9.2707 9.2707 9.2976 9.2976 9.5149 9.5149 16.1568 16.1568 16.3271 16.3271 16.3787 16.3787 17.7799 17.7799 k = 0.3582 0.3582 0.3582 ( 2536 PWs) bands (ev): -49.5093 -49.5093 -24.0054 -24.0054 -23.4027 -23.4027 -16.6334 -16.6334 -16.6317 -16.6317 -6.4841 -6.4841 -6.3093 -6.3093 -5.7409 -5.7409 -5.6028 -5.6028 -5.0543 -5.0543 -4.9180 -4.9180 5.8363 5.8363 6.2197 6.2197 6.2363 6.2363 6.3250 6.3250 6.4445 6.4445 6.4574 6.4574 9.3066 9.3066 9.3327 9.3327 9.5364 9.5364 16.1577 16.1577 16.3510 16.3510 16.3910 16.3910 17.8306 17.8306 k = 0.3657 0.3657 0.3657 ( 2524 PWs) bands (ev): -49.5093 -49.5093 -24.0063 -24.0063 -23.4022 -23.4022 -16.6379 -16.6379 -16.6363 -16.6363 -6.4636 -6.4636 -6.2913 -6.2913 -5.7156 -5.7156 -5.5911 -5.5911 -5.0620 -5.0620 -4.9341 -4.9341 5.8001 5.8001 6.1852 6.1852 6.2052 6.2052 6.2744 6.2744 6.4165 6.4165 6.4320 6.4320 9.3425 9.3425 9.3678 9.3678 9.5573 9.5573 16.1570 16.1570 16.3667 16.3667 16.3961 16.3961 17.8725 17.8725 k = 0.3731 0.3731 0.3731 ( 2524 PWs) bands (ev): -49.5092 -49.5092 -24.0073 -24.0073 -23.4017 -23.4017 -16.6424 -16.6424 -16.6408 -16.6408 -6.4453 -6.4453 -6.2722 -6.2722 -5.6906 -5.6906 -5.5792 -5.5792 -5.0701 -5.0701 -4.9509 -4.9509 5.7615 5.7615 6.1457 6.1457 6.1870 6.1870 6.2257 6.2257 6.3906 6.3906 6.4084 6.4084 9.3782 9.3782 9.4025 9.4025 9.5774 9.5774 16.1549 16.1549 16.3743 16.3743 16.3940 16.3940 17.8764 17.8764 k = 0.3806 0.3806 0.3806 ( 2527 PWs) bands (ev): -49.5092 -49.5092 -24.0082 -24.0082 -23.4012 -23.4012 -16.6466 -16.6466 -16.6451 -16.6451 -6.4290 -6.4290 -6.2520 -6.2520 -5.6660 -5.6660 -5.5672 -5.5672 -5.0787 -5.0787 -4.9684 -4.9684 5.7213 5.7213 6.1073 6.1073 6.1750 6.1750 6.1791 6.1791 6.3666 6.3666 6.3864 6.3864 9.4134 9.4134 9.4368 9.4368 9.5967 9.5967 16.1518 16.1518 16.3743 16.3743 16.3852 16.3852 17.8867 17.8867 k = 0.3881 0.3881 0.3881 ( 2533 PWs) bands (ev): -49.5091 -49.5091 -24.0092 -24.0092 -23.4007 -23.4007 -16.6506 -16.6506 -16.6491 -16.6491 -6.4147 -6.4147 -6.2311 -6.2311 -5.6418 -5.6418 -5.5551 -5.5551 -5.0877 -5.0877 -4.9865 -4.9865 5.6803 5.6803 6.0708 6.0708 6.1348 6.1348 6.1673 6.1673 6.3444 6.3444 6.3660 6.3660 9.4480 9.4480 9.4704 9.4704 9.6152 9.6152 16.1478 16.1478 16.3673 16.3673 16.3706 16.3706 17.9030 17.9030 k = 0.3955 0.3955 0.3955 ( 2521 PWs) bands (ev): -49.5090 -49.5090 -24.0099 -24.0099 -23.4003 -23.4003 -16.6542 -16.6542 -16.6529 -16.6529 -6.4022 -6.4022 -6.2097 -6.2097 -5.6179 -5.6179 -5.5427 -5.5427 -5.0971 -5.0971 -5.0051 -5.0051 5.6395 5.6395 6.0365 6.0365 6.0929 6.0929 6.1631 6.1631 6.3241 6.3241 6.3471 6.3471 9.4818 9.4818 9.5032 9.5032 9.6327 9.6327 16.1430 16.1430 16.3511 16.3511 16.3544 16.3544 17.9246 17.9246 k = 0.4030 0.4030 0.4030 ( 2527 PWs) bands (ev): -49.5090 -49.5090 -24.0108 -24.0108 -23.3999 -23.3999 -16.6577 -16.6577 -16.6566 -16.6566 -6.3913 -6.3913 -6.1882 -6.1882 -5.5946 -5.5946 -5.5302 -5.5302 -5.1069 -5.1069 -5.0241 -5.0241 5.5994 5.5994 6.0043 6.0043 6.0534 6.0534 6.1616 6.1616 6.3055 6.3055 6.3296 6.3296 9.5144 9.5144 9.5349 9.5349 9.6493 9.6493 16.1374 16.1374 16.3278 16.3278 16.3367 16.3367 17.9504 17.9504 k = 0.4104 0.4104 0.4104 ( 2527 PWs) bands (ev): -49.5090 -49.5090 -24.0115 -24.0115 -23.3995 -23.3995 -16.6609 -16.6609 -16.6600 -16.6600 -6.3819 -6.3819 -6.1669 -6.1669 -5.5717 -5.5717 -5.5175 -5.5175 -5.1170 -5.1170 -5.0435 -5.0435 5.5608 5.5608 5.9743 5.9743 6.0165 6.0165 6.1620 6.1620 6.2886 6.2886 6.3135 6.3135 9.5458 9.5458 9.5653 9.5653 9.6648 9.6648 16.1311 16.1311 16.3020 16.3020 16.3154 16.3154 17.9795 17.9795 k = 0.4179 0.4179 0.4179 ( 2527 PWs) bands (ev): -49.5089 -49.5089 -24.0122 -24.0122 -23.3992 -23.3992 -16.6639 -16.6639 -16.6631 -16.6631 -6.3736 -6.3736 -6.1462 -6.1462 -5.5494 -5.5494 -5.5046 -5.5046 -5.1275 -5.1275 -5.0630 -5.0630 5.5240 5.5240 5.9466 5.9466 5.9823 5.9823 6.1639 6.1639 6.2735 6.2735 6.2988 6.2988 9.5756 9.5756 9.5943 9.5943 9.6794 9.6794 16.1242 16.1242 16.2747 16.2747 16.2917 16.2917 18.0106 18.0106 k = 0.4254 0.4254 0.4254 ( 2527 PWs) bands (ev): -49.5089 -49.5089 -24.0129 -24.0129 -23.3988 -23.3988 -16.6667 -16.6667 -16.6660 -16.6660 -6.3664 -6.3664 -6.1263 -6.1263 -5.5278 -5.5278 -5.4916 -5.4916 -5.1383 -5.1383 -5.0826 -5.0826 5.4895 5.4895 5.9211 5.9211 5.9508 5.9508 6.1666 6.1666 6.2601 6.2601 6.2855 6.2855 9.6037 9.6037 9.6216 9.6216 9.6928 9.6928 16.1166 16.1166 16.2470 16.2470 16.2666 16.2666 18.0429 18.0429 k = 0.4328 0.4328 0.4328 ( 2527 PWs) bands (ev): -49.5089 -49.5089 -24.0135 -24.0135 -23.3985 -23.3985 -16.6691 -16.6691 -16.6686 -16.6686 -6.3602 -6.3602 -6.1075 -6.1075 -5.5069 -5.5069 -5.4784 -5.4784 -5.1494 -5.1494 -5.1022 -5.1022 5.4576 5.4576 5.8979 5.8979 5.9222 5.9222 6.1696 6.1696 6.2486 6.2486 6.2736 6.2736 9.6298 9.6298 9.6470 9.6470 9.7052 9.7052 16.1086 16.1086 16.2200 16.2200 16.2411 16.2411 18.0753 18.0753 k = 0.4403 0.4403 0.4403 ( 2527 PWs) bands (ev): -49.5089 -49.5089 -24.0140 -24.0140 -23.3982 -23.3982 -16.6714 -16.6714 -16.6709 -16.6709 -6.3548 -6.3548 -6.0900 -6.0900 -5.4867 -5.4867 -5.4651 -5.4651 -5.1605 -5.1605 -5.1215 -5.1215 5.4284 5.4284 5.8771 5.8771 5.8964 5.8964 6.1725 6.1725 6.2391 6.2391 6.2629 6.2629 9.6538 9.6538 9.6703 9.6703 9.7164 9.7164 16.0999 16.0999 16.1946 16.1946 16.2161 16.2161 18.1069 18.1069 k = 0.4478 0.4478 0.4478 ( 2527 PWs) bands (ev): -49.5088 -49.5088 -24.0145 -24.0145 -23.3980 -23.3980 -16.6734 -16.6734 -16.6730 -16.6730 -6.3503 -6.3503 -6.0741 -6.0741 -5.4676 -5.4676 -5.4519 -5.4519 -5.1718 -5.1718 -5.1405 -5.1405 5.4023 5.4023 5.8587 5.8587 5.8735 5.8735 6.1748 6.1748 6.2318 6.2318 6.2535 6.2535 9.6753 9.6753 9.6914 9.6914 9.7264 9.7264 16.0906 16.0906 16.1716 16.1716 16.1923 16.1923 18.1369 18.1369 k = 0.4552 0.4552 0.4552 ( 2524 PWs) bands (ev): -49.5088 -49.5088 -24.0149 -24.0149 -23.3978 -23.3978 -16.6751 -16.6751 -16.6747 -16.6747 -6.3464 -6.3464 -6.0598 -6.0598 -5.4495 -5.4495 -5.4387 -5.4387 -5.1829 -5.1829 -5.1588 -5.1588 5.3794 5.3794 5.8426 5.8426 5.8535 5.8535 6.1760 6.1760 6.2267 6.2267 6.2454 6.2454 9.6943 9.6943 9.7100 9.7100 9.7354 9.7354 16.0807 16.0807 16.1519 16.1519 16.1705 16.1705 18.1646 18.1646 k = 0.4627 0.4627 0.4627 ( 2521 PWs) bands (ev): -49.5088 -49.5088 -24.0152 -24.0152 -23.3976 -23.3976 -16.6765 -16.6765 -16.6762 -16.6762 -6.3432 -6.3432 -6.0475 -6.0475 -5.4328 -5.4328 -5.4260 -5.4260 -5.1938 -5.1938 -5.1761 -5.1761 5.3598 5.3598 5.8290 5.8290 5.8366 5.8366 6.1761 6.1761 6.2237 6.2237 6.2386 6.2386 9.7104 9.7104 9.7261 9.7261 9.7432 9.7432 16.0705 16.0705 16.1358 16.1358 16.1511 16.1511 18.1894 18.1894 k = 0.4701 0.4701 0.4701 ( 2515 PWs) bands (ev): -49.5088 -49.5088 -24.0154 -24.0154 -23.3974 -23.3974 -16.6777 -16.6777 -16.6775 -16.6775 -6.3406 -6.3406 -6.0372 -6.0372 -5.4178 -5.4178 -5.4140 -5.4140 -5.2039 -5.2039 -5.1920 -5.1920 5.3436 5.3436 5.8178 5.8178 5.8227 5.8227 6.1752 6.1752 6.2225 6.2225 6.2330 6.2330 9.7235 9.7235 9.7394 9.7394 9.7499 9.7499 16.0605 16.0605 16.1235 16.1235 16.1346 16.1346 18.2105 18.2108 k = 0.4776 0.4776 0.4776 ( 2512 PWs) bands (ev): -49.5088 -49.5088 -24.0156 -24.0156 -23.3973 -23.3973 -16.6785 -16.6785 -16.6785 -16.6785 -6.3387 -6.3387 -6.0291 -6.0291 -5.4050 -5.4050 -5.4032 -5.4032 -5.2129 -5.2129 -5.2059 -5.2059 5.3309 5.3309 5.8091 5.8091 5.8119 5.8119 6.1739 6.1739 6.2224 6.2224 6.2287 6.2287 9.7335 9.7335 9.7499 9.7499 9.7555 9.7555 16.0515 16.0515 16.1146 16.1146 16.1215 16.1215 18.2276 18.2276 k = 0.4851 0.4851 0.4851 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0158 -24.0158 -23.3972 -23.3972 -16.6792 -16.6792 -16.6792 -16.6792 -6.3373 -6.3373 -6.0232 -6.0232 -5.3951 -5.3951 -5.3944 -5.3944 -5.2202 -5.2202 -5.2169 -5.2169 5.3218 5.3218 5.8029 5.8029 5.8041 5.8041 6.1726 6.1726 6.2227 6.2227 6.2256 6.2256 9.7403 9.7403 9.7575 9.7575 9.7598 9.7598 16.0444 16.0444 16.1086 16.1086 16.1119 16.1119 18.2401 18.2401 k = 0.4925 0.4925 0.4925 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0159 -24.0159 -23.3972 -23.3972 -16.6796 -16.6796 -16.6796 -16.6796 -6.3364 -6.3364 -6.0196 -6.0196 -5.3886 -5.3886 -5.3885 -5.3885 -5.2250 -5.2250 -5.2242 -5.2242 5.3163 5.3163 5.7991 5.7991 5.7994 5.7994 6.1718 6.1718 6.2230 6.2230 6.2238 6.2238 9.7443 9.7443 9.7621 9.7621 9.7626 9.7626 16.0399 16.0399 16.1052 16.1052 16.1060 16.1060 18.2478 18.2479 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0159 -24.0159 -23.3972 -23.3972 -16.6797 -16.6797 -16.6797 -16.6797 -6.3362 -6.3362 -6.0184 -6.0184 -5.3864 -5.3864 -5.3864 -5.3864 -5.2267 -5.2267 -5.2267 -5.2267 5.3145 5.3145 5.7979 5.7979 5.7979 5.7979 6.1714 6.1714 6.2232 6.2232 6.2232 6.2232 9.7456 9.7456 9.7636 9.7636 9.7636 9.7636 16.0384 16.0384 16.1041 16.1041 16.1041 16.1041 18.2503 18.2503 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0159 -24.0159 -23.3972 -23.3972 -16.6797 -16.6797 -16.6797 -16.6797 -6.3362 -6.3362 -6.0184 -6.0184 -5.3864 -5.3864 -5.3864 -5.3864 -5.2267 -5.2267 -5.2267 -5.2267 5.3145 5.3145 5.7979 5.7979 5.7979 5.7979 6.1714 6.1714 6.2232 6.2232 6.2232 6.2232 9.7456 9.7456 9.7636 9.7636 9.7636 9.7636 16.0384 16.0384 16.1041 16.1041 16.1041 16.1041 18.2503 18.2503 k = 0.4909 0.5000 0.4909 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0159 -24.0159 -23.3972 -23.3972 -16.6797 -16.6797 -16.6795 -16.6795 -6.3364 -6.3364 -6.0196 -6.0196 -5.3891 -5.3891 -5.3880 -5.3880 -5.2250 -5.2250 -5.2242 -5.2242 5.3163 5.3163 5.7986 5.7986 5.8000 5.8000 6.1717 6.1717 6.2229 6.2229 6.2239 6.2239 9.7443 9.7443 9.7620 9.7620 9.7627 9.7627 16.0399 16.0399 16.1052 16.1052 16.1060 16.1060 18.2478 18.2478 k = 0.4818 0.5000 0.4818 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0158 -24.0158 -23.3972 -23.3972 -16.6795 -16.6795 -16.6789 -16.6789 -6.3372 -6.3372 -6.0231 -6.0231 -5.3968 -5.3968 -5.3925 -5.3925 -5.2201 -5.2201 -5.2172 -5.2172 5.3217 5.3217 5.8006 5.8006 5.8063 5.8063 6.1726 6.1726 6.2222 6.2222 6.2261 6.2261 9.7403 9.7403 9.7573 9.7573 9.7603 9.7603 16.0444 16.0444 16.1087 16.1087 16.1117 16.1117 18.2401 18.2401 k = 0.4727 0.5000 0.4727 ( 2512 PWs) bands (ev): -49.5088 -49.5088 -24.0156 -24.0156 -23.3973 -23.3973 -16.6792 -16.6792 -16.6778 -16.6778 -6.3386 -6.3386 -6.0289 -6.0289 -5.4086 -5.4086 -5.3994 -5.3994 -5.2127 -5.2127 -5.2063 -5.2063 5.3305 5.3305 5.8041 5.8041 5.8168 5.8168 6.1736 6.1736 6.2214 6.2214 6.2299 6.2299 9.7331 9.7331 9.7496 9.7496 9.7565 9.7565 16.0515 16.0515 16.1146 16.1146 16.1211 16.1211 18.2274 18.2274 k = 0.4636 0.5000 0.4636 ( 2516 PWs) bands (ev): -49.5088 -49.5088 -24.0154 -24.0154 -23.3974 -23.3974 -16.6788 -16.6788 -16.6764 -16.6764 -6.3406 -6.3406 -6.0370 -6.0370 -5.4236 -5.4236 -5.4080 -5.4080 -5.2033 -5.2033 -5.1927 -5.1927 5.3425 5.3425 5.8092 5.8092 5.8315 5.8315 6.1741 6.1741 6.2210 6.2210 6.2354 6.2354 9.7224 9.7224 9.7391 9.7391 9.7519 9.7519 16.0607 16.0607 16.1233 16.1233 16.1342 16.1342 18.2097 18.2097 k = 0.4545 0.5000 0.4545 ( 2518 PWs) bands (ev): -49.5088 -49.5088 -24.0152 -24.0152 -23.3976 -23.3976 -16.6783 -16.6783 -16.6745 -16.6745 -6.3431 -6.3431 -6.0471 -6.0471 -5.4410 -5.4410 -5.4179 -5.4179 -5.1926 -5.1926 -5.1770 -5.1770 5.3574 5.3574 5.8162 5.8162 5.8504 5.8504 6.1736 6.1736 6.2217 6.2217 6.2428 6.2428 9.7079 9.7079 9.7262 9.7262 9.7463 9.7463 16.0714 16.0714 16.1348 16.1348 16.1508 16.1508 18.1871 18.1871 k = 0.4455 0.5000 0.4455 ( 2526 PWs) bands (ev): -49.5088 -49.5088 -24.0149 -24.0149 -23.3978 -23.3978 -16.6778 -16.6778 -16.6722 -16.6722 -6.3462 -6.3462 -6.0593 -6.0593 -5.4604 -5.4604 -5.4285 -5.4285 -5.1811 -5.1811 -5.1597 -5.1597 5.3747 5.3747 5.8254 5.8254 5.8733 5.8733 6.1713 6.1713 6.2240 6.2240 6.2522 6.2522 9.6899 9.6899 9.7109 9.7109 9.7399 9.7399 16.0827 16.0827 16.1494 16.1494 16.1710 16.1710 18.1596 18.1596 k = 0.4364 0.5000 0.4364 ( 2520 PWs) bands (ev): -49.5088 -49.5088 -24.0144 -24.0144 -23.3980 -23.3980 -16.6770 -16.6770 -16.6695 -16.6695 -6.3500 -6.3500 -6.0733 -6.0733 -5.4813 -5.4813 -5.4395 -5.4395 -5.1692 -5.1692 -5.1413 -5.1413 5.3939 5.3939 5.8371 5.8371 5.9003 5.9003 6.1670 6.1670 6.2282 6.2282 6.2638 6.2638 9.6683 9.6683 9.6934 9.6934 9.7325 9.7325 16.0942 16.0942 16.1666 16.1666 16.1947 16.1947 18.1270 18.1270 k = 0.4273 0.5000 0.4273 ( 2520 PWs) bands (ev): -49.5088 -49.5088 -24.0140 -24.0140 -23.3982 -23.3982 -16.6761 -16.6761 -16.6663 -16.6663 -6.3545 -6.3545 -6.0889 -6.0889 -5.5035 -5.5035 -5.4507 -5.4507 -5.1569 -5.1569 -5.1220 -5.1220 5.4143 5.4143 5.8518 5.8518 5.9313 5.9313 6.1612 6.1612 6.2341 6.2341 6.2778 6.2778 9.6436 9.6436 9.6739 9.6739 9.7241 9.7241 16.1056 16.1056 16.1859 16.1859 16.2221 16.2221 18.0895 18.0895 k = 0.4182 0.5000 0.4182 ( 2528 PWs) bands (ev): -49.5089 -49.5089 -24.0135 -24.0135 -23.3985 -23.3985 -16.6753 -16.6753 -16.6629 -16.6629 -6.3598 -6.3598 -6.1060 -6.1060 -5.5269 -5.5269 -5.4619 -5.4619 -5.1446 -5.1446 -5.1020 -5.1020 5.4353 5.4353 5.8701 5.8701 5.9663 5.9663 6.1541 6.1541 6.2415 6.2415 6.2942 6.2942 9.6159 9.6159 9.6524 9.6524 9.7146 9.7146 16.1166 16.1166 16.2065 16.2065 16.2532 16.2532 18.0471 18.0471 k = 0.4091 0.5000 0.4091 ( 2532 PWs) bands (ev): -49.5089 -49.5089 -24.0130 -24.0130 -23.3988 -23.3988 -16.6742 -16.6742 -16.6590 -16.6590 -6.3660 -6.3660 -6.1243 -6.1243 -5.5513 -5.5513 -5.4730 -5.4730 -5.1322 -5.1322 -5.0817 -5.0817 5.4560 5.4560 5.8923 5.8923 6.0050 6.0050 6.1464 6.1464 6.2501 6.2501 6.3130 6.3130 9.5856 9.5856 9.6290 9.6290 9.7039 9.7039 16.1273 16.1273 16.2275 16.2275 16.2879 16.2879 18.0000 18.0000 k = 0.4000 0.5000 0.4000 ( 2528 PWs) bands (ev): -49.5089 -49.5089 -24.0123 -24.0123 -23.3991 -23.3991 -16.6730 -16.6730 -16.6547 -16.6547 -6.3734 -6.3734 -6.1435 -6.1435 -5.5765 -5.5765 -5.4838 -5.4838 -5.1199 -5.1199 -5.0611 -5.0611 5.4758 5.4758 5.9188 5.9188 6.0472 6.0472 6.1387 6.1387 6.2598 6.2598 6.3345 6.3345 9.5528 9.5528 9.6040 9.6040 9.6920 9.6920 16.1374 16.1374 16.2482 16.2482 16.3260 16.3260 17.9487 17.9487 k = 0.3909 0.5000 0.3909 ( 2528 PWs) bands (ev): -49.5090 -49.5090 -24.0116 -24.0116 -23.3995 -23.3995 -16.6718 -16.6718 -16.6500 -16.6500 -6.3821 -6.3821 -6.1632 -6.1632 -5.6026 -5.6026 -5.4942 -5.4942 -5.1076 -5.1076 -5.0404 -5.0404 5.4941 5.4941 5.9497 5.9497 6.0911 6.0911 6.1331 6.1331 6.2706 6.2706 6.3585 6.3585 9.5177 9.5177 9.5774 9.5774 9.6789 9.6789 16.1468 16.1468 16.2681 16.2681 16.3673 16.3673 17.8936 17.8936 k = 0.3818 0.5000 0.3818 ( 2524 PWs) bands (ev): -49.5090 -49.5090 -24.0109 -24.0109 -23.3998 -23.3998 -16.6703 -16.6703 -16.6450 -16.6450 -6.3926 -6.3926 -6.1830 -6.1830 -5.6294 -5.6294 -5.5042 -5.5042 -5.0955 -5.0955 -5.0199 -5.0199 5.5105 5.5105 5.9846 5.9846 6.1149 6.1149 6.1519 6.1519 6.2827 6.2827 6.3854 6.3854 9.4807 9.4807 9.5493 9.5493 9.6646 9.6646 16.1552 16.1552 16.2867 16.2867 16.4115 16.4115 17.8350 17.8350 k = 0.3727 0.5000 0.3727 ( 2528 PWs) bands (ev): -49.5091 -49.5091 -24.0101 -24.0101 -23.4002 -23.4002 -16.6689 -16.6689 -16.6398 -16.6398 -6.4053 -6.4053 -6.2022 -6.2022 -5.6569 -5.6569 -5.5137 -5.5137 -5.0836 -5.0836 -4.9995 -4.9995 5.5249 5.5249 6.0220 6.0220 6.1130 6.1130 6.2019 6.2019 6.2961 6.2961 6.4152 6.4152 9.4420 9.4420 9.5200 9.5200 9.6490 9.6490 16.1623 16.1623 16.3037 16.3037 16.4583 16.4583 17.7737 17.7737 k = 0.3636 0.5000 0.3636 ( 2536 PWs) bands (ev): -49.5091 -49.5091 -24.0094 -24.0094 -23.4006 -23.4006 -16.6674 -16.6674 -16.6342 -16.6342 -6.4205 -6.4205 -6.2204 -6.2204 -5.6848 -5.6848 -5.5226 -5.5226 -5.0718 -5.0718 -4.9795 -4.9795 5.5372 5.5372 6.0565 6.0565 6.1156 6.1156 6.2571 6.2571 6.3119 6.3119 6.4482 6.4482 9.4018 9.4018 9.4894 9.4894 9.6320 9.6320 16.1678 16.1678 16.3188 16.3188 16.5075 16.5075 17.7101 17.7101 k = 0.3545 0.5000 0.3545 ( 2536 PWs) bands (ev): -49.5091 -49.5091 -24.0086 -24.0086 -23.4011 -23.4011 -16.6657 -16.6657 -16.6282 -16.6282 -6.4387 -6.4387 -6.2370 -6.2370 -5.7133 -5.7133 -5.5309 -5.5309 -5.0602 -5.0602 -4.9600 -4.9600 5.5475 5.5475 6.0733 6.0733 6.1394 6.1394 6.3071 6.3071 6.3380 6.3380 6.4847 6.4847 9.3604 9.3604 9.4579 9.4579 9.6136 9.6136 16.1713 16.1713 16.3317 16.3317 16.5589 16.5589 17.6446 17.6446 k = 0.3455 0.5000 0.3455 ( 2532 PWs) bands (ev): -49.5092 -49.5092 -24.0076 -24.0076 -23.4015 -23.4015 -16.6639 -16.6639 -16.6220 -16.6220 -6.4602 -6.4602 -6.2515 -6.2515 -5.7421 -5.7421 -5.5385 -5.5385 -5.0488 -5.0488 -4.9411 -4.9411 5.5561 5.5561 6.0744 6.0744 6.1821 6.1821 6.3333 6.3333 6.3923 6.3923 6.5251 6.5251 9.3181 9.3181 9.4253 9.4253 9.5939 9.5939 16.1724 16.1724 16.3425 16.3425 16.6122 16.6122 17.5780 17.5780 k = 0.3364 0.5000 0.3364 ( 2536 PWs) bands (ev): -49.5092 -49.5092 -24.0068 -24.0068 -23.4020 -23.4020 -16.6621 -16.6621 -16.6155 -16.6155 -6.4849 -6.4849 -6.2638 -6.2638 -5.7711 -5.7711 -5.5455 -5.5455 -5.0376 -5.0376 -4.9229 -4.9229 5.5633 5.5633 6.0718 6.0718 6.2311 6.2311 6.3524 6.3524 6.4579 6.4579 6.5701 6.5701 9.2750 9.2750 9.3919 9.3919 9.5726 9.5726 16.1705 16.1705 16.3511 16.3511 16.6671 16.6671 17.5106 17.5106 k = 0.3273 0.5000 0.3273 ( 2532 PWs) bands (ev): -49.5093 -49.5093 -24.0058 -24.0058 -23.4025 -23.4025 -16.6602 -16.6602 -16.6087 -16.6087 -6.5128 -6.5128 -6.2739 -6.2739 -5.8004 -5.8004 -5.5519 -5.5519 -5.0266 -5.0266 -4.9055 -4.9055 5.5692 5.5692 6.0692 6.0692 6.2820 6.2820 6.3715 6.3715 6.5268 6.5268 6.6205 6.6205 9.2314 9.2314 9.3578 9.3578 9.5499 9.5499 16.1653 16.1653 16.3574 16.3574 16.7236 16.7236 17.4429 17.4429 k = 0.3182 0.5000 0.3182 ( 2532 PWs) bands (ev): -49.5093 -49.5093 -24.0048 -24.0048 -23.4029 -23.4029 -16.6582 -16.6582 -16.6017 -16.6017 -6.5435 -6.5435 -6.2819 -6.2819 -5.8297 -5.8297 -5.5575 -5.5575 -5.0159 -5.0159 -4.8890 -4.8890 5.5741 5.5741 6.0678 6.0678 6.3329 6.3329 6.3920 6.3920 6.5968 6.5968 6.6776 6.6776 9.1877 9.1877 9.3228 9.3228 9.5257 9.5257 16.1563 16.1563 16.3617 16.3617 16.7813 16.7813 17.3753 17.3753 k = 0.3091 0.5000 0.3091 ( 2544 PWs) bands (ev): -49.5094 -49.5094 -24.0040 -24.0040 -23.4034 -23.4034 -16.6562 -16.6562 -16.5946 -16.5946 -6.5766 -6.5766 -6.2882 -6.2882 -5.8590 -5.8590 -5.5626 -5.5626 -5.0055 -5.0055 -4.8735 -4.8735 5.5782 5.5782 6.0679 6.0679 6.3813 6.3813 6.4158 6.4158 6.6661 6.6661 6.7429 6.7429 9.1441 9.1441 9.2872 9.2872 9.4999 9.4999 16.1431 16.1431 16.3640 16.3640 16.8400 16.8400 17.3082 17.3082 k = 0.3000 0.5000 0.3000 ( 2540 PWs) bands (ev): -49.5095 -49.5095 -24.0030 -24.0030 -23.4039 -23.4039 -16.6541 -16.6541 -16.5872 -16.5872 -6.6116 -6.6116 -6.2929 -6.2929 -5.8882 -5.8882 -5.5670 -5.5670 -4.9953 -4.9953 -4.8590 -4.8590 5.5816 5.5816 6.0700 6.0700 6.4200 6.4200 6.4498 6.4498 6.7340 6.7340 6.8166 6.8166 9.1008 9.1008 9.2510 9.2510 9.4726 9.4726 16.1252 16.1252 16.3645 16.3645 16.8995 16.8995 17.2421 17.2421 k = 0.2909 0.5000 0.2909 ( 2544 PWs) bands (ev): -49.5095 -49.5095 -24.0020 -24.0020 -23.4044 -23.4044 -16.6519 -16.6519 -16.5796 -16.5796 -6.6483 -6.6483 -6.2963 -6.2963 -5.9171 -5.9171 -5.5709 -5.5709 -4.9855 -4.9855 -4.8455 -4.8455 5.5844 5.5844 6.0742 6.0742 6.4476 6.4476 6.4954 6.4954 6.8010 6.8010 6.8973 6.8973 9.0581 9.0581 9.2142 9.2142 9.4436 9.4436 16.1022 16.1022 16.3635 16.3635 16.9595 16.9595 17.1774 17.1774 k = 0.2818 0.5000 0.2818 ( 2544 PWs) bands (ev): -49.5096 -49.5096 -24.0010 -24.0010 -23.4049 -23.4049 -16.6497 -16.6497 -16.5719 -16.5719 -6.6863 -6.6863 -6.2986 -6.2986 -5.9457 -5.9457 -5.5742 -5.5742 -4.9761 -4.9761 -4.8332 -4.8332 5.5869 5.5869 6.0808 6.0808 6.4726 6.4726 6.5438 6.5438 6.8684 6.8684 6.9834 6.9834 9.0164 9.0164 9.1767 9.1767 9.4130 9.4130 16.0738 16.0738 16.3611 16.3611 17.0193 17.0193 17.1151 17.1151 k = 0.2727 0.5000 0.2727 ( 2544 PWs) bands (ev): -49.5096 -49.5096 -24.0000 -24.0000 -23.4054 -23.4054 -16.6474 -16.6474 -16.5641 -16.5641 -6.7253 -6.7253 -6.3000 -6.3000 -5.9738 -5.9738 -5.5771 -5.5771 -4.9671 -4.9671 -4.8220 -4.8220 5.5890 5.5890 6.0899 6.0899 6.4979 6.4979 6.5924 6.5924 6.9365 6.9365 7.0733 7.0733 8.9760 8.9760 9.1387 9.1387 9.3808 9.3808 16.0399 16.0399 16.3576 16.3576 17.0465 17.0465 17.0873 17.0873 k = 0.2636 0.5000 0.2636 ( 2542 PWs) bands (ev): -49.5097 -49.5097 -23.9989 -23.9989 -23.4059 -23.4059 -16.6450 -16.6450 -16.5561 -16.5561 -6.7649 -6.7649 -6.3008 -6.3008 -6.0011 -6.0011 -5.5794 -5.5794 -4.9586 -4.9586 -4.8120 -4.8120 5.5909 5.5909 6.1017 6.1017 6.5240 6.5240 6.6409 6.6409 7.0055 7.0055 7.1662 7.1662 8.9372 8.9372 9.1000 9.1000 9.3470 9.3470 16.0002 16.0002 16.3533 16.3533 16.9908 16.9908 17.1447 17.1447 k = 0.2545 0.5000 0.2545 ( 2542 PWs) bands (ev): -49.5098 -49.5098 -23.9979 -23.9979 -23.4064 -23.4064 -16.6427 -16.6427 -16.5481 -16.5481 -6.8051 -6.8051 -6.3011 -6.3011 -6.0275 -6.0275 -5.5814 -5.5814 -4.9506 -4.9506 -4.8030 -4.8030 5.5925 5.5925 6.1163 6.1163 6.5512 6.5512 6.6891 6.6891 7.0750 7.0750 7.2613 7.2613 8.9004 8.9004 9.0608 9.0608 9.3115 9.3115 15.9548 15.9548 16.3484 16.3484 16.9341 16.9341 17.2054 17.2054 k = 0.2455 0.5000 0.2455 ( 2546 PWs) bands (ev): -49.5098 -49.5098 -23.9969 -23.9969 -23.4069 -23.4069 -16.6403 -16.6403 -16.5401 -16.5401 -6.8455 -6.8455 -6.3012 -6.3012 -6.0526 -6.0526 -5.5830 -5.5830 -4.9432 -4.9432 -4.7951 -4.7951 5.5941 5.5941 6.1337 6.1337 6.5795 6.5795 6.7371 6.7371 7.1446 7.1446 7.3580 7.3580 8.8660 8.8660 9.0209 9.0209 9.2743 9.2743 15.9038 15.9038 16.3432 16.3432 16.8795 16.8795 17.2661 17.2661 k = 0.2364 0.5000 0.2364 ( 2546 PWs) bands (ev): -49.5099 -49.5099 -23.9959 -23.9959 -23.4074 -23.4074 -16.6379 -16.6379 -16.5320 -16.5320 -6.8860 -6.8860 -6.3016 -6.3016 -6.0762 -6.0762 -5.5843 -5.5843 -4.9365 -4.9365 -4.7882 -4.7882 5.5955 5.5955 6.1542 6.1542 6.6089 6.6089 6.7849 6.7849 7.2136 7.2136 7.4560 7.4560 8.8344 8.8344 8.9804 8.9804 9.2355 9.2355 15.8475 15.8475 16.3379 16.3379 16.8277 16.8277 17.3265 17.3265 k = 0.2273 0.5000 0.2273 ( 2546 PWs) bands (ev): -49.5099 -49.5099 -23.9949 -23.9949 -23.4079 -23.4079 -16.6355 -16.6355 -16.5239 -16.5239 -6.9263 -6.9263 -6.3026 -6.3026 -6.0976 -6.0976 -5.5854 -5.5854 -4.9305 -4.9305 -4.7822 -4.7822 5.5968 5.5968 6.1776 6.1776 6.6396 6.6396 6.8326 6.8326 7.2814 7.2814 7.5547 7.5547 8.8063 8.8063 8.9392 8.9392 9.1952 9.1952 15.7861 15.7861 16.3327 16.3327 16.7787 16.7787 17.3862 17.3862 k = 0.2182 0.5000 0.2182 ( 2546 PWs) bands (ev): -49.5100 -49.5100 -23.9939 -23.9939 -23.4084 -23.4084 -16.6330 -16.6330 -16.5158 -16.5158 -6.9663 -6.9663 -6.3049 -6.3049 -6.1162 -6.1162 -5.5862 -5.5862 -4.9255 -4.9255 -4.7769 -4.7769 5.5981 5.5981 6.2041 6.2041 6.6714 6.6714 6.8801 6.8801 7.3474 7.3474 7.6538 7.6538 8.7821 8.7821 8.8972 8.8972 9.1532 9.1532 15.7202 15.7202 16.3277 16.3277 16.7327 16.7327 17.4448 17.4448 k = 0.2091 0.5000 0.2091 ( 2546 PWs) bands (ev): -49.5100 -49.5100 -23.9930 -23.9930 -23.4088 -23.4088 -16.6306 -16.6306 -16.5078 -16.5078 -7.0059 -7.0059 -6.3091 -6.3091 -6.1314 -6.1314 -5.5869 -5.5869 -4.9214 -4.9214 -4.7724 -4.7724 5.5994 5.5994 6.2337 6.2337 6.7045 6.7045 6.9273 6.9273 7.4107 7.4107 7.7527 7.7527 8.7626 8.7626 8.8545 8.8545 9.1097 9.1097 15.6503 15.6503 16.3231 16.3231 16.6900 16.6900 17.5008 17.5008 k = 0.2000 0.5000 0.2000 ( 2548 PWs) bands (ev): -49.5101 -49.5101 -23.9920 -23.9920 -23.4093 -23.4093 -16.6282 -16.6282 -16.4998 -16.4998 -7.0449 -7.0449 -6.3159 -6.3159 -6.1426 -6.1426 -5.5875 -5.5875 -4.9183 -4.9183 -4.7684 -4.7684 5.6007 5.6007 6.2663 6.2663 6.7388 6.7388 6.9743 6.9743 7.4705 7.4705 7.8511 7.8511 8.7484 8.7484 8.8111 8.8111 9.0646 9.0646 15.5770 15.5770 16.3191 16.3191 16.6506 16.6506 17.5379 17.5379 k = 0.1909 0.5000 0.1909 ( 2556 PWs) bands (ev): -49.5102 -49.5102 -23.9912 -23.9912 -23.4097 -23.4097 -16.6259 -16.6259 -16.4921 -16.4921 -7.0831 -7.0831 -6.3255 -6.3255 -6.1495 -6.1495 -5.5881 -5.5881 -4.9164 -4.9164 -4.7648 -4.7648 5.6019 5.6019 6.3019 6.3019 6.7743 6.7743 7.0209 7.0209 7.5261 7.5261 7.9485 7.9485 8.7402 8.7402 8.7668 8.7668 9.0182 9.0182 15.5007 15.5007 16.3157 16.3157 16.6147 16.6147 17.4977 17.4977 k = 0.1818 0.5000 0.1818 ( 2552 PWs) bands (ev): -49.5102 -49.5102 -23.9902 -23.9902 -23.4101 -23.4101 -16.6235 -16.6235 -16.4843 -16.4843 -7.1204 -7.1204 -6.3377 -6.3377 -6.1521 -6.1521 -5.5886 -5.5886 -4.9158 -4.9158 -4.7614 -4.7614 5.6031 5.6031 6.3405 6.3405 6.8111 6.8111 7.0669 7.0669 7.5766 7.5766 8.0443 8.0443 8.7216 8.7216 8.7388 8.7388 8.9703 8.9703 15.4222 15.4222 16.3130 16.3130 16.5824 16.5824 17.4469 17.4469 k = 0.1727 0.5000 0.1727 ( 2556 PWs) bands (ev): -49.5103 -49.5103 -23.9894 -23.9894 -23.4105 -23.4105 -16.6212 -16.6212 -16.4769 -16.4769 -7.1567 -7.1567 -6.3521 -6.3521 -6.1511 -6.1511 -5.5892 -5.5892 -4.9164 -4.9164 -4.7582 -4.7582 5.6044 5.6044 6.3820 6.3820 6.8490 6.8490 7.1122 7.1122 7.6214 7.6214 8.1379 8.1379 8.6758 8.6758 8.7446 8.7446 8.9211 8.9211 15.3420 15.3420 16.3111 16.3111 16.5537 16.5537 17.3947 17.3947 k = 0.1636 0.5000 0.1636 ( 2556 PWs) bands (ev): -49.5103 -49.5103 -23.9886 -23.9886 -23.4109 -23.4109 -16.6189 -16.6189 -16.4695 -16.4695 -7.1918 -7.1918 -6.3679 -6.3679 -6.1471 -6.1471 -5.5899 -5.5899 -4.9182 -4.9182 -4.7551 -4.7551 5.6056 5.6056 6.4263 6.4263 6.8882 6.8882 7.1566 7.1566 7.6600 7.6600 8.2287 8.2287 8.6292 8.6292 8.7582 8.7582 8.8708 8.8708 15.2608 15.2608 16.3100 16.3100 16.5287 16.5287 17.3417 17.3417 k = 0.1545 0.5000 0.1545 ( 2552 PWs) bands (ev): -49.5104 -49.5104 -23.9877 -23.9877 -23.4113 -23.4113 -16.6167 -16.6167 -16.4624 -16.4624 -7.2257 -7.2257 -6.3845 -6.3845 -6.1407 -6.1407 -5.5907 -5.5907 -4.9212 -4.9212 -4.7520 -4.7520 5.6069 5.6069 6.4733 6.4733 6.9285 6.9285 7.2000 7.2000 7.6924 7.6924 8.3157 8.3157 8.5823 8.5823 8.7795 8.7795 8.8194 8.8194 15.1793 15.1793 16.3098 16.3098 16.5075 16.5075 17.2882 17.2882 k = 0.1455 0.5000 0.1455 ( 2550 PWs) bands (ev): -49.5104 -49.5104 -23.9870 -23.9870 -23.4116 -23.4116 -16.6146 -16.6146 -16.4555 -16.4555 -7.2582 -7.2582 -6.4015 -6.4015 -6.1325 -6.1325 -5.5917 -5.5917 -4.9254 -4.9254 -4.7488 -4.7488 5.6081 5.6081 6.5229 6.5229 6.9700 6.9700 7.2419 7.2419 7.7187 7.7187 8.3959 8.3959 8.5372 8.5372 8.7662 8.7662 8.8093 8.8093 15.0979 15.0979 16.3105 16.3105 16.4899 16.4899 17.2344 17.2344 k = 0.1364 0.5000 0.1364 ( 2538 PWs) bands (ev): -49.5105 -49.5105 -23.9861 -23.9861 -23.4119 -23.4119 -16.6124 -16.6124 -16.4488 -16.4488 -7.2893 -7.2893 -6.4183 -6.4183 -6.1229 -6.1229 -5.5928 -5.5928 -4.9306 -4.9306 -4.7456 -4.7456 5.6093 5.6093 6.5749 6.5749 7.0126 7.0126 7.2822 7.2822 7.7394 7.7394 8.4466 8.4466 8.5165 8.5165 8.7130 8.7130 8.8454 8.8454 15.0174 15.0174 16.3122 16.3122 16.4759 16.4759 17.1803 17.1803 k = 0.1273 0.5000 0.1273 ( 2546 PWs) bands (ev): -49.5105 -49.5105 -23.9855 -23.9855 -23.4122 -23.4122 -16.6105 -16.6105 -16.4426 -16.4426 -7.3188 -7.3188 -6.4348 -6.4348 -6.1124 -6.1124 -5.5942 -5.5942 -4.9367 -4.9367 -4.7424 -4.7424 5.6105 5.6105 6.6292 6.6292 7.0563 7.0563 7.3207 7.3207 7.7552 7.7552 8.4172 8.4172 8.5696 8.5696 8.6590 8.6590 8.8879 8.8879 14.9383 14.9383 16.3150 16.3150 16.4655 16.4655 17.1263 17.1263 k = 0.1182 0.5000 0.1182 ( 2542 PWs) bands (ev): -49.5105 -49.5105 -23.9848 -23.9848 -23.4125 -23.4125 -16.6086 -16.6086 -16.4365 -16.4365 -7.3466 -7.3466 -6.4507 -6.4507 -6.1010 -6.1010 -5.5959 -5.5959 -4.9435 -4.9435 -4.7392 -4.7392 5.6117 5.6117 6.6855 6.6855 7.1011 7.1011 7.3569 7.3569 7.7671 7.7671 8.3680 8.3680 8.6018 8.6018 8.6389 8.6389 8.9355 8.9355 14.8613 14.8613 16.3189 16.3189 16.4583 16.4583 17.0725 17.0725 k = 0.1091 0.5000 0.1091 ( 2542 PWs) bands (ev): -49.5106 -49.5106 -23.9842 -23.9842 -23.4128 -23.4128 -16.6068 -16.6068 -16.4309 -16.4309 -7.3727 -7.3727 -6.4659 -6.4659 -6.0892 -6.0892 -5.5977 -5.5977 -4.9508 -4.9508 -4.7360 -4.7360 5.6128 5.6128 6.7437 6.7437 7.1468 7.1468 7.3907 7.3907 7.7759 7.7759 8.3153 8.3153 8.5473 8.5473 8.7022 8.7022 8.9867 8.9867 14.7869 14.7869 16.3240 16.3240 16.4542 16.4542 17.0194 17.0194 k = 0.1000 0.5000 0.1000 ( 2562 PWs) bands (ev): -49.5106 -49.5106 -23.9838 -23.9838 -23.4130 -23.4130 -16.6053 -16.6053 -16.4257 -16.4257 -7.3970 -7.3970 -6.4801 -6.4801 -6.0771 -6.0771 -5.5999 -5.5999 -4.9584 -4.9584 -4.7330 -4.7330 5.6139 5.6139 6.8036 6.8036 7.1933 7.1933 7.4216 7.4216 7.7827 7.7827 8.2607 8.2607 8.4914 8.4914 8.7621 8.7621 9.0398 9.0398 14.7158 14.7158 16.3305 16.3305 16.4527 16.4527 16.9673 16.9673 k = 0.0909 0.5000 0.0909 ( 2552 PWs) bands (ev): -49.5107 -49.5107 -23.9832 -23.9832 -23.4133 -23.4133 -16.6037 -16.6037 -16.4207 -16.4207 -7.4194 -7.4194 -6.4934 -6.4934 -6.0649 -6.0649 -5.6023 -5.6023 -4.9662 -4.9662 -4.7300 -4.7300 5.6149 5.6149 6.8648 6.8648 7.2406 7.2406 7.4495 7.4495 7.7883 7.7883 8.2046 8.2046 8.4352 8.4352 8.8175 8.8175 9.0932 9.0932 14.6484 14.6484 16.3385 16.3385 16.4537 16.4537 16.9167 16.9167 k = 0.0818 0.5000 0.0818 ( 2552 PWs) bands (ev): -49.5107 -49.5107 -23.9828 -23.9828 -23.4135 -23.4135 -16.6023 -16.6023 -16.4163 -16.4163 -7.4399 -7.4399 -6.5056 -6.5056 -6.0528 -6.0528 -5.6048 -5.6048 -4.9738 -4.9738 -4.7272 -4.7272 5.6159 5.6159 6.9273 6.9273 7.2885 7.2885 7.4741 7.4741 7.7932 7.7932 8.1474 8.1474 8.3790 8.3790 8.8682 8.8682 9.1456 9.1456 14.5854 14.5854 16.3481 16.3481 16.4566 16.4566 16.8682 16.8682 k = 0.0727 0.5000 0.0727 ( 2558 PWs) bands (ev): -49.5107 -49.5107 -23.9824 -23.9824 -23.4136 -23.4136 -16.6010 -16.6010 -16.4123 -16.4123 -7.4584 -7.4584 -6.5166 -6.5166 -6.0412 -6.0412 -5.6076 -5.6076 -4.9813 -4.9813 -4.7247 -4.7247 5.6168 5.6168 6.9905 6.9905 7.3368 7.3368 7.4954 7.4954 7.7980 7.7980 8.0891 8.0891 8.3230 8.3230 8.9141 8.9141 9.1955 9.1955 14.5272 14.5272 16.3592 16.3592 16.4610 16.4610 16.8220 16.8220 k = 0.0636 0.5000 0.0636 ( 2558 PWs) bands (ev): -49.5108 -49.5108 -23.9820 -23.9820 -23.4138 -23.4138 -16.5999 -16.5999 -16.4086 -16.4086 -7.4748 -7.4748 -6.5265 -6.5265 -6.0301 -6.0301 -5.6104 -5.6104 -4.9883 -4.9883 -4.7223 -4.7223 5.6176 5.6176 7.0542 7.0542 7.3852 7.3852 7.5135 7.5135 7.8029 7.8029 8.0299 8.0299 8.2676 8.2676 8.9552 8.9552 9.2418 9.2418 14.4745 14.4745 16.3719 16.3719 16.4666 16.4666 16.7785 16.7785 k = 0.0545 0.5000 0.0545 ( 2550 PWs) bands (ev): -49.5108 -49.5108 -23.9816 -23.9816 -23.4139 -23.4139 -16.5988 -16.5988 -16.4053 -16.4053 -7.4892 -7.4892 -6.5351 -6.5351 -6.0198 -6.0198 -5.6132 -5.6132 -4.9948 -4.9948 -4.7203 -4.7203 5.6183 5.6183 7.1178 7.1178 7.4333 7.4333 7.5288 7.5288 7.8080 7.8080 7.9701 7.9701 8.2132 8.2132 8.9914 8.9914 9.2837 9.2837 14.4277 14.4277 16.3859 16.3859 16.4731 16.4731 16.7380 16.7380 k = 0.0455 0.5000 0.0455 ( 2546 PWs) bands (ev): -49.5108 -49.5108 -23.9813 -23.9813 -23.4141 -23.4141 -16.5979 -16.5979 -16.4026 -16.4026 -7.5014 -7.5014 -6.5424 -6.5424 -6.0106 -6.0106 -5.6158 -5.6158 -5.0005 -5.0005 -4.7185 -4.7185 5.6189 5.6189 7.1806 7.1806 7.4800 7.4800 7.5420 7.5420 7.8129 7.8129 7.9101 7.9101 8.1606 8.1606 9.0224 9.0224 9.3204 9.3204 14.3873 14.3873 16.4009 16.4009 16.4804 16.4804 16.7004 16.7004 k = 0.0364 0.5000 0.0364 ( 2554 PWs) bands (ev): -49.5108 -49.5108 -23.9812 -23.9812 -23.4142 -23.4142 -16.5973 -16.5973 -16.4005 -16.4005 -7.5114 -7.5114 -6.5485 -6.5485 -6.0027 -6.0027 -5.6183 -5.6183 -5.0054 -5.0054 -4.7170 -4.7170 5.6195 5.6195 7.2415 7.2415 7.5235 7.5235 7.5551 7.5551 7.8170 7.8170 7.8509 7.8509 8.1107 8.1107 9.0480 9.0480 9.3512 9.3512 14.3536 14.3536 16.4160 16.4160 16.4886 16.4886 16.6657 16.6657 k = 0.0273 0.5000 0.0273 ( 2566 PWs) bands (ev): -49.5108 -49.5108 -23.9811 -23.9811 -23.4142 -23.4142 -16.5968 -16.5968 -16.3988 -16.3988 -7.5192 -7.5192 -6.5533 -6.5533 -5.9963 -5.9963 -5.6203 -5.6203 -5.0093 -5.0093 -4.7158 -4.7158 5.6199 5.6199 7.2985 7.2985 7.5549 7.5549 7.5764 7.5764 7.7897 7.7897 7.8235 7.8235 8.0652 8.0653 9.0682 9.0682 9.3756 9.3756 14.3270 14.3270 16.4299 16.4299 16.4986 16.4986 16.6335 16.6335 k = 0.0182 0.5000 0.0182 ( 2566 PWs) bands (ev): -49.5108 -49.5108 -23.9810 -23.9810 -23.4143 -23.4143 -16.5964 -16.5964 -16.3976 -16.3976 -7.5248 -7.5248 -6.5567 -6.5567 -5.9915 -5.9915 -5.6219 -5.6219 -5.0121 -5.0121 -4.7149 -4.7149 5.6201 5.6201 7.3479 7.3479 7.5722 7.5722 7.6072 7.6072 7.7347 7.7347 7.8260 7.8260 8.0271 8.0271 9.0827 9.0827 9.3934 9.3934 14.3078 14.3078 16.4410 16.4410 16.5117 16.5117 16.6039 16.6039 k = 0.0091 0.5000 0.0091 ( 2560 PWs) bands (ev): -49.5108 -49.5108 -23.9809 -23.9809 -23.4143 -23.4143 -16.5961 -16.5961 -16.3968 -16.3968 -7.5282 -7.5282 -6.5587 -6.5587 -5.9886 -5.9886 -5.6229 -5.6229 -5.0139 -5.0139 -4.7144 -4.7144 5.6203 5.6203 7.3833 7.3833 7.5917 7.5917 7.6285 7.6285 7.6874 7.6874 7.8278 7.8278 8.0006 8.0006 9.0915 9.0915 9.4041 9.4041 14.2962 14.2962 16.4478 16.4478 16.5287 16.5287 16.5770 16.5770 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -49.5108 -49.5108 -23.9808 -23.9808 -23.4143 -23.4143 -16.5960 -16.5960 -16.3965 -16.3965 -7.5293 -7.5293 -6.5594 -6.5594 -5.9876 -5.9876 -5.6232 -5.6232 -5.0145 -5.0145 -4.7143 -4.7143 5.6204 5.6204 7.3964 7.3964 7.6102 7.6102 7.6278 7.6278 7.6670 7.6670 7.8285 7.8285 7.9909 7.9909 9.0944 9.0944 9.4077 9.4077 14.2923 14.2923 16.4501 16.4501 16.5442 16.5442 16.5582 16.5582 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9965 -23.9965 -23.4075 -23.4075 -16.6925 -16.6925 -16.4915 -16.4915 -6.8093 -6.8093 -6.5008 -6.5008 -6.2446 -6.2446 -5.3811 -5.3811 -4.7273 -4.7273 -4.6745 -4.6745 5.4186 5.4186 5.4702 5.4702 5.7851 5.7851 7.2178 7.2178 7.2375 7.2375 8.2486 8.2486 8.2811 8.2811 8.8674 8.8674 9.6825 9.6825 16.4687 16.4687 16.6249 16.6249 16.7035 16.7035 16.9775 16.9775 k = 0.5000 0.5000 0.0128 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9966 -23.9966 -23.4074 -23.4074 -16.6925 -16.6925 -16.4919 -16.4919 -6.8077 -6.8077 -6.5005 -6.5005 -6.2440 -6.2440 -5.3814 -5.3814 -4.7279 -4.7279 -4.6752 -4.6752 5.4187 5.4187 5.4713 5.4713 5.7851 5.7851 7.2140 7.2140 7.2335 7.2335 8.2531 8.2531 8.2858 8.2858 8.8613 8.8613 9.6826 9.6826 16.4693 16.4693 16.6254 16.6254 16.7027 16.7027 16.9791 16.9791 k = 0.5000 0.5000 0.0256 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9967 -23.9967 -23.4074 -23.4074 -16.6924 -16.6924 -16.4928 -16.4928 -6.8030 -6.8030 -6.4997 -6.4997 -6.2421 -6.2421 -5.3821 -5.3821 -4.7296 -4.7296 -4.6771 -4.6771 5.4189 5.4189 5.4747 5.4747 5.7852 5.7852 7.2028 7.2028 7.2217 7.2217 8.2661 8.2661 8.2995 8.2995 8.8430 8.8430 9.6829 9.6829 16.4710 16.4710 16.6268 16.6268 16.7002 16.7002 16.9838 16.9838 k = 0.5000 0.5000 0.0385 ( 2544 PWs) bands (ev): -49.5098 -49.5098 -23.9968 -23.9968 -23.4073 -23.4073 -16.6923 -16.6923 -16.4945 -16.4945 -6.7952 -6.7952 -6.4985 -6.4985 -6.2389 -6.2389 -5.3832 -5.3832 -4.7326 -4.7326 -4.6803 -4.6803 5.4193 5.4193 5.4804 5.4804 5.7854 5.7854 7.1847 7.1847 7.2028 7.2028 8.2870 8.2870 8.3218 8.3218 8.8129 8.8129 9.6835 9.6835 16.4738 16.4738 16.6291 16.6291 16.6961 16.6961 16.9918 16.9918 k = 0.5000 0.5000 0.0513 ( 2552 PWs) bands (ev): -49.5098 -49.5098 -23.9972 -23.9972 -23.4072 -23.4072 -16.6922 -16.6922 -16.4969 -16.4969 -6.7843 -6.7843 -6.4967 -6.4967 -6.2344 -6.2344 -5.3848 -5.3848 -4.7367 -4.7367 -4.6847 -4.6847 5.4199 5.4199 5.4884 5.4884 5.7857 5.7857 7.1607 7.1607 7.1776 7.1776 8.3147 8.3147 8.3516 8.3516 8.7717 8.7717 9.6844 9.6844 16.4776 16.4776 16.6321 16.6321 16.6903 16.6903 17.0029 17.0029 k = 0.5000 0.5000 0.0641 ( 2536 PWs) bands (ev): -49.5097 -49.5097 -23.9973 -23.9973 -23.4070 -23.4070 -16.6919 -16.6919 -16.4996 -16.4996 -6.7705 -6.7705 -6.4945 -6.4945 -6.2285 -6.2285 -5.3868 -5.3868 -4.7419 -4.7419 -4.6904 -4.6904 5.4206 5.4206 5.4985 5.4985 5.7860 5.7860 7.1317 7.1317 7.1473 7.1473 8.3477 8.3477 8.3878 8.3878 8.7203 8.7203 9.6854 9.6854 16.4822 16.4822 16.6357 16.6357 16.6828 16.6828 17.0172 17.0172 k = 0.5000 0.5000 0.0769 ( 2536 PWs) bands (ev): -49.5097 -49.5097 -23.9976 -23.9976 -23.4069 -23.4069 -16.6917 -16.6917 -16.5030 -16.5030 -6.7539 -6.7539 -6.4918 -6.4918 -6.2213 -6.2213 -5.3892 -5.3892 -4.7482 -4.7482 -4.6974 -4.6974 5.4215 5.4215 5.5107 5.5107 5.7864 5.7864 7.0987 7.0987 7.1128 7.1128 8.3833 8.3833 8.4293 8.4293 8.6609 8.6609 9.6867 9.6867 16.4874 16.4874 16.6397 16.6397 16.6736 16.6736 17.0346 17.0346 k = 0.5000 0.5000 0.0897 ( 2536 PWs) bands (ev): -49.5097 -49.5097 -23.9980 -23.9980 -23.4067 -23.4067 -16.6915 -16.6915 -16.5069 -16.5069 -6.7345 -6.7345 -6.4886 -6.4886 -6.2128 -6.2128 -5.3920 -5.3920 -4.7556 -4.7556 -4.7055 -4.7055 5.4225 5.4225 5.5250 5.5250 5.7869 5.7869 7.0627 7.0627 7.0751 7.0751 8.4152 8.4152 8.4753 8.4753 8.5997 8.5997 9.6882 9.6882 16.4929 16.4929 16.6439 16.6439 16.6628 16.6628 17.0552 17.0552 k = 0.5000 0.5000 0.1026 ( 2536 PWs) bands (ev): -49.5097 -49.5097 -23.9984 -23.9984 -23.4064 -23.4064 -16.6912 -16.6912 -16.5114 -16.5114 -6.7126 -6.7126 -6.4850 -6.4850 -6.2028 -6.2028 -5.3950 -5.3950 -4.7641 -4.7641 -4.7149 -4.7149 5.4236 5.4236 5.5412 5.5412 5.7874 5.7874 7.0245 7.0245 7.0351 7.0351 8.4193 8.4193 8.5247 8.5247 8.5607 8.5607 9.6899 9.6899 16.4985 16.4985 16.6479 16.6479 16.6504 16.6504 17.0788 17.0788 k = 0.5000 0.5000 0.1154 ( 2536 PWs) bands (ev): -49.5097 -49.5097 -23.9989 -23.9989 -23.4062 -23.4062 -16.6909 -16.6909 -16.5164 -16.5164 -6.6884 -6.6884 -6.4810 -6.4810 -6.1913 -6.1913 -5.3984 -5.3984 -4.7737 -4.7737 -4.7253 -4.7253 5.4248 5.4248 5.5592 5.5592 5.7881 5.7881 6.9846 6.9846 6.9935 6.9935 8.3642 8.3642 8.5754 8.5754 8.5768 8.5768 9.6918 9.6918 16.5037 16.5037 16.6367 16.6367 16.6514 16.6514 17.1055 17.1055 k = 0.5000 0.5000 0.1282 ( 2540 PWs) bands (ev): -49.5096 -49.5096 -23.9995 -23.9995 -23.4059 -23.4059 -16.6905 -16.6905 -16.5219 -16.5219 -6.6620 -6.6620 -6.4766 -6.4766 -6.1783 -6.1783 -5.4019 -5.4019 -4.7843 -4.7843 -4.7369 -4.7369 5.4261 5.4261 5.5789 5.5789 5.7888 5.7888 6.9438 6.9438 6.9509 6.9509 8.2763 8.2763 8.6176 8.6176 8.6310 8.6310 9.6938 9.6938 16.5080 16.5080 16.6218 16.6218 16.6542 16.6542 17.1351 17.1351 k = 0.5000 0.5000 0.1410 ( 2540 PWs) bands (ev): -49.5096 -49.5096 -24.0001 -24.0001 -23.4056 -23.4056 -16.6902 -16.6902 -16.5278 -16.5278 -6.6338 -6.6338 -6.4718 -6.4718 -6.1637 -6.1637 -5.4057 -5.4057 -4.7958 -4.7958 -4.7496 -4.7496 5.4274 5.4274 5.6002 5.6002 5.7897 5.7897 6.9025 6.9025 6.9076 6.9076 8.1751 8.1751 8.6682 8.6682 8.6868 8.6868 9.6961 9.6961 16.5107 16.5107 16.6063 16.6063 16.6556 16.6556 17.1677 17.1677 k = 0.5000 0.5000 0.1538 ( 2540 PWs) bands (ev): -49.5096 -49.5096 -24.0008 -24.0008 -23.4052 -23.4052 -16.6898 -16.6898 -16.5341 -16.5341 -6.6039 -6.6039 -6.4666 -6.4666 -6.1473 -6.1473 -5.4096 -5.4096 -4.8082 -4.8082 -4.7632 -4.7632 5.4288 5.4288 5.6228 5.6228 5.7908 5.7908 6.8609 6.8609 6.8643 6.8643 8.0661 8.0661 8.7222 8.7222 8.7436 8.7436 9.6984 9.6984 16.5106 16.5106 16.5908 16.5908 16.6554 16.6554 17.2032 17.2032 k = 0.5000 0.5000 0.1667 ( 2556 PWs) bands (ev): -49.5096 -49.5096 -24.0016 -24.0016 -23.4049 -23.4049 -16.6895 -16.6895 -16.5408 -16.5408 -6.5727 -6.5727 -6.4612 -6.4612 -6.1292 -6.1292 -5.4135 -5.4135 -4.8215 -4.8215 -4.7779 -4.7779 5.4302 5.4302 5.6466 5.6466 5.7920 5.7920 6.8196 6.8196 6.8211 6.8211 7.9515 7.9515 8.7780 8.7780 8.8010 8.8010 9.7010 9.7010 16.5065 16.5065 16.5764 16.5764 16.6530 16.6530 17.2414 17.2414 k = 0.5000 0.5000 0.1795 ( 2540 PWs) bands (ev): -49.5095 -49.5095 -24.0021 -24.0021 -23.4045 -23.4045 -16.6889 -16.6889 -16.5475 -16.5475 -6.5406 -6.5406 -6.4554 -6.4554 -6.1091 -6.1091 -5.4174 -5.4174 -4.8357 -4.8357 -4.7935 -4.7935 5.4316 5.4316 5.6713 5.6713 5.7937 5.7937 6.7783 6.7783 6.7787 6.7787 7.8326 7.8326 8.8348 8.8348 8.8587 8.8587 9.7036 9.7036 16.4972 16.4972 16.5641 16.5641 16.6481 16.6481 17.2823 17.2823 k = 0.5000 0.5000 0.1923 ( 2540 PWs) bands (ev): -49.5095 -49.5095 -24.0029 -24.0029 -23.4041 -23.4041 -16.6885 -16.6885 -16.5547 -16.5547 -6.5079 -6.5079 -6.4494 -6.4494 -6.0871 -6.0871 -5.4212 -5.4212 -4.8506 -4.8506 -4.8099 -4.8099 5.4329 5.4329 5.6965 5.6965 5.7959 5.7959 6.7363 6.7363 6.7385 6.7385 7.7105 7.7105 8.8919 8.8919 8.9164 8.9164 9.7064 9.7064 16.4826 16.4826 16.5535 16.5535 16.6403 16.6403 17.3256 17.3256 k = 0.5000 0.5000 0.2051 ( 2540 PWs) bands (ev): -49.5094 -49.5094 -24.0036 -24.0036 -23.4038 -23.4038 -16.6880 -16.6880 -16.5620 -16.5620 -6.4749 -6.4749 -6.4431 -6.4431 -6.0630 -6.0630 -5.4249 -5.4249 -4.8662 -4.8662 -4.8272 -4.8272 5.4341 5.4341 5.7215 5.7215 5.7993 5.7993 6.6951 6.6951 6.6990 6.6990 7.5864 7.5864 8.9490 8.9490 8.9738 8.9738 9.7093 9.7093 16.4639 16.4639 16.5434 16.5434 16.6293 16.6293 17.3714 17.3714 k = 0.5000 0.5000 0.2179 ( 2536 PWs) bands (ev): -49.5094 -49.5094 -24.0043 -24.0043 -23.4033 -23.4033 -16.6875 -16.6875 -16.5694 -16.5694 -6.4419 -6.4419 -6.4367 -6.4367 -6.0367 -6.0367 -5.4284 -5.4284 -4.8825 -4.8825 -4.8452 -4.8452 5.4352 5.4352 5.7447 5.7447 5.8051 5.8051 6.6549 6.6549 6.6606 6.6606 7.4610 7.4610 9.0058 9.0058 9.0305 9.0305 9.7122 9.7122 16.4425 16.4425 16.5321 16.5321 16.6149 16.6149 17.4193 17.4193 k = 0.5000 0.5000 0.2308 ( 2536 PWs) bands (ev): -49.5093 -49.5093 -24.0051 -24.0051 -23.4029 -23.4029 -16.6870 -16.6870 -16.5769 -16.5769 -6.4302 -6.4302 -6.4094 -6.4094 -6.0082 -6.0082 -5.4317 -5.4317 -4.8994 -4.8994 -4.8639 -4.8639 5.4360 5.4360 5.7633 5.7633 5.8160 5.8160 6.6159 6.6159 6.6232 6.6232 7.3353 7.3353 9.0619 9.0619 9.0865 9.0865 9.7152 9.7152 16.4194 16.4194 16.5187 16.5187 16.5970 16.5970 17.4692 17.4692 k = 0.5000 0.5000 0.2436 ( 2528 PWs) bands (ev): -49.5093 -49.5093 -24.0058 -24.0058 -23.4025 -23.4025 -16.6864 -16.6864 -16.5845 -16.5845 -6.4235 -6.4235 -6.3776 -6.3776 -5.9776 -5.9776 -5.4345 -5.4345 -4.9169 -4.9169 -4.8831 -4.8831 5.4367 5.4367 5.7750 5.7750 5.8342 5.8342 6.5782 6.5782 6.5870 6.5870 7.2101 7.2101 9.1171 9.1171 9.1414 9.1414 9.7182 9.7182 16.3952 16.3952 16.5026 16.5026 16.5758 16.5758 17.5209 17.5209 k = 0.5000 0.5000 0.2564 ( 2528 PWs) bands (ev): -49.5092 -49.5092 -24.0066 -24.0066 -23.4021 -23.4021 -16.6859 -16.6859 -16.5920 -16.5920 -6.4168 -6.4168 -6.3467 -6.3467 -5.9449 -5.9449 -5.4370 -5.4370 -4.9348 -4.9348 -4.9029 -4.9029 5.4370 5.4370 5.7813 5.7813 5.8580 5.8580 6.5420 6.5420 6.5520 6.5520 7.0863 7.0863 9.1713 9.1713 9.1951 9.1951 9.7212 9.7212 16.3705 16.3705 16.4836 16.4836 16.5515 16.5515 17.5739 17.5739 k = 0.5000 0.5000 0.2692 ( 2536 PWs) bands (ev): -49.5092 -49.5092 -24.0074 -24.0074 -23.4017 -23.4017 -16.6854 -16.6854 -16.5996 -16.5996 -6.4101 -6.4101 -6.3169 -6.3169 -5.9104 -5.9104 -5.4390 -5.4390 -4.9531 -4.9531 -4.9231 -4.9231 5.4369 5.4369 5.7849 5.7849 5.8845 5.8845 6.5072 6.5072 6.5184 6.5184 6.9646 6.9646 9.2240 9.2240 9.2473 9.2473 9.7243 9.7243 16.3456 16.3456 16.4616 16.4616 16.5244 16.5244 17.6280 17.6280 k = 0.5000 0.5000 0.2821 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0080 -24.0080 -23.4013 -23.4013 -16.6848 -16.6848 -16.6069 -16.6069 -6.4035 -6.4035 -6.2883 -6.2883 -5.8743 -5.8743 -5.4404 -5.4404 -4.9718 -4.9718 -4.9437 -4.9437 5.4364 5.4364 5.7872 5.7872 5.9119 5.9119 6.4740 6.4740 6.4859 6.4859 6.8461 6.8461 9.2753 9.2753 9.2979 9.2979 9.7273 9.7273 16.3207 16.3207 16.4371 16.4371 16.4949 16.4949 17.6827 17.6827 k = 0.5000 0.5000 0.2949 ( 2532 PWs) bands (ev): -49.5091 -49.5091 -24.0090 -24.0090 -23.4009 -23.4009 -16.6844 -16.6844 -16.6143 -16.6143 -6.3969 -6.3969 -6.2609 -6.2609 -5.8369 -5.8369 -5.4413 -5.4413 -4.9907 -4.9907 -4.9646 -4.9646 5.4352 5.4352 5.7889 5.7889 5.9395 5.9395 6.4424 6.4424 6.4546 6.4546 6.7315 6.7315 9.3248 9.3248 9.3467 9.3467 9.7303 9.7303 16.2960 16.2960 16.4104 16.4104 16.4637 16.4637 17.7376 17.7376 k = 0.5000 0.5000 0.3077 ( 2524 PWs) bands (ev): -49.5091 -49.5091 -24.0096 -24.0096 -23.4005 -23.4005 -16.6838 -16.6838 -16.6213 -16.6213 -6.3905 -6.3905 -6.2348 -6.2348 -5.7987 -5.7987 -5.4415 -5.4415 -5.0098 -5.0098 -4.9856 -4.9856 5.4334 5.4334 5.7903 5.7903 5.9668 5.9668 6.4126 6.4126 6.4238 6.4238 6.6223 6.6223 9.3723 9.3723 9.3935 9.3935 9.7332 9.7332 16.2717 16.2717 16.3821 16.3821 16.4311 16.4311 17.7921 17.7921 k = 0.5000 0.5000 0.3205 ( 2524 PWs) bands (ev): -49.5090 -49.5090 -24.0104 -24.0104 -23.4001 -23.4001 -16.6834 -16.6834 -16.6281 -16.6281 -6.3842 -6.3842 -6.2100 -6.2100 -5.7599 -5.7599 -5.4410 -5.4410 -5.0290 -5.0290 -5.0067 -5.0067 5.4307 5.4307 5.7915 5.7915 5.9935 5.9935 6.3845 6.3845 6.3920 6.3920 6.5208 6.5208 9.4178 9.4178 9.4382 9.4382 9.7360 9.7360 16.2480 16.2480 16.3526 16.3526 16.3979 16.3979 17.8456 17.8456 k = 0.5000 0.5000 0.3333 ( 2516 PWs) bands (ev): -49.5090 -49.5090 -24.0110 -24.0110 -23.3997 -23.3997 -16.6829 -16.6829 -16.6346 -16.6346 -6.3782 -6.3782 -6.1864 -6.1864 -5.7211 -5.7211 -5.4398 -5.4398 -5.0481 -5.0481 -5.0277 -5.0277 5.4271 5.4271 5.7925 5.7925 6.0194 6.0194 6.3525 6.3525 6.3583 6.3583 6.4345 6.4345 9.4609 9.4609 9.4805 9.4805 9.7387 9.7387 16.2250 16.2250 16.3228 16.3228 16.3646 16.3646 17.8975 17.8975 k = 0.5000 0.5000 0.3462 ( 2524 PWs) bands (ev): -49.5090 -49.5090 -24.0118 -24.0118 -23.3994 -23.3994 -16.6826 -16.6826 -16.6408 -16.6408 -6.3725 -6.3725 -6.1640 -6.1640 -5.6826 -5.6826 -5.4378 -5.4378 -5.0672 -5.0672 -5.0486 -5.0486 5.4223 5.4223 5.7933 5.7933 6.0441 6.0441 6.2903 6.2903 6.3339 6.3339 6.3790 6.3790 9.5016 9.5016 9.5204 9.5204 9.7414 9.7414 16.2027 16.2027 16.2931 16.2931 16.3316 16.3316 17.9469 17.9469 k = 0.5000 0.5000 0.3590 ( 2524 PWs) bands (ev): -49.5089 -49.5089 -24.0124 -24.0124 -23.3991 -23.3991 -16.6821 -16.6821 -16.6467 -16.6467 -6.3670 -6.3670 -6.1430 -6.1430 -5.6449 -5.6449 -5.4351 -5.4351 -5.0861 -5.0861 -5.0693 -5.0693 5.4162 5.4162 5.7941 5.7941 6.0675 6.0675 6.2134 6.2134 6.3115 6.3115 6.3471 6.3471 9.5397 9.5397 9.5577 9.5577 9.7439 9.7439 16.1813 16.1813 16.2642 16.2642 16.2996 16.2996 17.9932 17.9932 k = 0.5000 0.5000 0.3718 ( 2524 PWs) bands (ev): -49.5089 -49.5089 -24.0130 -24.0130 -23.3988 -23.3988 -16.6818 -16.6818 -16.6522 -16.6522 -6.3620 -6.3620 -6.1232 -6.1232 -5.6084 -5.6084 -5.4317 -5.4317 -5.1047 -5.1047 -5.0895 -5.0895 5.4087 5.4087 5.7948 5.7948 6.0893 6.0893 6.1378 6.1378 6.2911 6.2911 6.3234 6.3234 9.5750 9.5750 9.5922 9.5922 9.7462 9.7462 16.1608 16.1608 16.2368 16.2368 16.2688 16.2688 18.0360 18.0360 k = 0.5000 0.5000 0.3846 ( 2528 PWs) bands (ev): -49.5089 -49.5089 -24.0136 -24.0136 -23.3985 -23.3985 -16.6814 -16.6814 -16.6572 -16.6572 -6.3573 -6.3573 -6.1048 -6.1048 -5.5733 -5.5733 -5.4275 -5.4275 -5.1229 -5.1229 -5.1092 -5.1092 5.3997 5.3997 5.7954 5.7954 6.0684 6.0684 6.1093 6.1093 6.2728 6.2728 6.3036 6.3036 9.6074 9.6074 9.6239 9.6239 9.7484 9.7484 16.1412 16.1412 16.2113 16.2113 16.2398 16.2398 18.0748 18.0748 k = 0.5000 0.5000 0.3974 ( 2528 PWs) bands (ev): -49.5089 -49.5089 -24.0141 -24.0141 -23.3982 -23.3982 -16.6811 -16.6811 -16.6618 -16.6618 -6.3530 -6.3530 -6.0879 -6.0879 -5.5402 -5.5402 -5.4227 -5.4227 -5.1404 -5.1404 -5.1283 -5.1283 5.3892 5.3892 5.7959 5.7959 6.0070 6.0070 6.1273 6.1273 6.2568 6.2568 6.2863 6.2863 9.6367 9.6367 9.6526 9.6526 9.7505 9.7505 16.1226 16.1226 16.1882 16.1882 16.2130 16.2130 18.1096 18.1096 k = 0.5000 0.5000 0.4103 ( 2532 PWs) bands (ev): -49.5088 -49.5088 -24.0146 -24.0146 -23.3980 -23.3980 -16.6808 -16.6808 -16.6660 -16.6660 -6.3491 -6.3491 -6.0725 -6.0725 -5.5092 -5.5092 -5.4174 -5.4174 -5.1572 -5.1572 -5.1466 -5.1466 5.3775 5.3775 5.7964 5.7964 5.9539 5.9539 6.1428 6.1428 6.2432 6.2432 6.2714 6.2714 9.6628 9.6628 9.6782 9.6782 9.7524 9.7524 16.1051 16.1051 16.1678 16.1678 16.1885 16.1885 18.1405 18.1406 k = 0.5000 0.5000 0.4231 ( 2516 PWs) bands (ev): -49.5088 -49.5088 -24.0148 -24.0148 -23.3978 -23.3978 -16.6805 -16.6805 -16.6695 -16.6695 -6.3457 -6.3457 -6.0587 -6.0587 -5.4807 -5.4807 -5.4116 -5.4116 -5.1730 -5.1730 -5.1639 -5.1639 5.3650 5.3650 5.7968 5.7968 5.9095 5.9095 6.1556 6.1556 6.2324 6.2324 6.2585 6.2585 9.6856 9.6856 9.7005 9.7005 9.7542 9.7542 16.0889 16.0889 16.1504 16.1504 16.1668 16.1668 18.1676 18.1677 k = 0.5000 0.5000 0.4359 ( 2516 PWs) bands (ev): -49.5088 -49.5088 -24.0152 -24.0152 -23.3976 -23.3976 -16.6802 -16.6802 -16.6726 -16.6726 -6.3428 -6.3428 -6.0468 -6.0468 -5.4550 -5.4550 -5.4057 -5.4057 -5.1875 -5.1875 -5.1801 -5.1801 5.3523 5.3523 5.7971 5.7971 5.8733 5.8733 6.1649 6.1649 6.2249 6.2249 6.2477 6.2477 9.7049 9.7049 9.7196 9.7196 9.7559 9.7559 16.0744 16.0744 16.1359 16.1359 16.1481 16.1481 18.1913 18.1914 k = 0.5000 0.5000 0.4487 ( 2516 PWs) bands (ev): -49.5088 -49.5088 -24.0154 -24.0154 -23.3974 -23.3974 -16.6801 -16.6801 -16.6752 -16.6752 -6.3405 -6.3405 -6.0368 -6.0368 -5.4325 -5.4325 -5.3999 -5.3999 -5.2004 -5.2004 -5.1948 -5.1948 5.3403 5.3403 5.7974 5.7974 5.8449 5.8449 6.1704 6.1704 6.2211 6.2211 6.2388 6.2388 9.7205 9.7205 9.7354 9.7354 9.7576 9.7576 16.0619 16.0619 16.1242 16.1242 16.1324 16.1324 18.2113 18.2118 k = 0.5000 0.5000 0.4615 ( 2512 PWs) bands (ev): -49.5088 -49.5088 -24.0156 -24.0156 -23.3973 -23.3973 -16.6799 -16.6799 -16.6771 -16.6771 -6.3386 -6.3386 -6.0288 -6.0288 -5.4135 -5.4135 -5.3946 -5.3946 -5.2113 -5.2113 -5.2075 -5.2075 5.3297 5.3297 5.7976 5.7976 5.8238 5.8238 6.1724 6.1724 6.2204 6.2204 6.2320 6.2320 9.7322 9.7322 9.7477 9.7477 9.7594 9.7594 16.0518 16.0518 16.1153 16.1153 16.1201 16.1201 18.2276 18.2293 k = 0.5000 0.5000 0.4744 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0158 -24.0158 -23.3972 -23.3972 -16.6798 -16.6798 -16.6786 -16.6786 -6.3372 -6.3372 -6.0231 -6.0231 -5.3990 -5.3990 -5.3903 -5.3903 -5.2196 -5.2196 -5.2177 -5.2177 5.3215 5.3215 5.7978 5.7978 5.8092 5.8092 6.1724 6.1724 6.2214 6.2214 6.2271 6.2271 9.7401 9.7401 9.7565 9.7565 9.7613 9.7613 16.0444 16.0444 16.1090 16.1090 16.1112 16.1112 18.2400 18.2400 k = 0.5000 0.5000 0.4872 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0159 -24.0159 -23.3972 -23.3972 -16.6798 -16.6798 -16.6794 -16.6794 -6.3364 -6.3364 -6.0196 -6.0196 -5.3896 -5.3896 -5.3874 -5.3874 -5.2249 -5.2249 -5.2244 -5.2244 5.3163 5.3163 5.7979 5.7979 5.8007 5.8007 6.1717 6.1717 6.2227 6.2227 6.2242 6.2242 9.7443 9.7443 9.7618 9.7618 9.7629 9.7629 16.0399 16.0399 16.1053 16.1053 16.1059 16.1059 18.2477 18.2477 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -49.5087 -49.5087 -24.0159 -24.0159 -23.3972 -23.3972 -16.6797 -16.6797 -16.6797 -16.6797 -6.3362 -6.3362 -6.0184 -6.0184 -5.3864 -5.3864 -5.3864 -5.3864 -5.2267 -5.2267 -5.2267 -5.2267 5.3145 5.3145 5.7979 5.7979 5.7979 5.7979 6.1714 6.1714 6.2232 6.2232 6.2232 6.2232 9.7456 9.7456 9.7636 9.7636 9.7636 9.7636 16.0384 16.0384 16.1041 16.1041 16.1041 16.1041 18.2503 18.2503 Writing output data file SrHfO3.save init_run : 0.22s CPU 0.33s WALL ( 1 calls) electrons : 95.51s CPU 97.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 95.50s CPU 97.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 300 calls) cegterg : 89.13s CPU 90.51s WALL ( 385 calls) Called by sum_band: Called by *egterg: h_psi : 37.23s CPU 38.17s WALL ( 6935 calls) s_psi : 2.47s CPU 2.56s WALL ( 6935 calls) g_psi : 0.12s CPU 0.12s WALL ( 6250 calls) cdiaghg : 44.92s CPU 45.57s WALL ( 6550 calls) cegterg:over : 3.51s CPU 3.48s WALL ( 6250 calls) cegterg:upda : 2.61s CPU 2.46s WALL ( 6250 calls) cegterg:last : 1.48s CPU 1.53s WALL ( 1109 calls) cdiaghg:chol : 2.37s CPU 2.43s WALL ( 6550 calls) cdiaghg:inve : 1.55s CPU 1.70s WALL ( 6550 calls) cdiaghg:para : 2.80s CPU 2.73s WALL ( 13100 calls) Called by h_psi: h_psi:vloc : 31.46s CPU 32.19s WALL ( 6935 calls) h_psi:vnl : 5.68s CPU 5.87s WALL ( 6935 calls) add_vuspsi : 2.94s CPU 2.98s WALL ( 6935 calls) General routines calbec : 2.72s CPU 2.88s WALL ( 6935 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.19s CPU 29.91s WALL ( 674268 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.11s WALL ( 600 calls) Parallel routines fft_scatter : 14.62s CPU 15.08s WALL ( 674291 calls) PWSCF : 1m46.96s CPU 1m57.09s WALL This run was terminated on: 19:31: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=