Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55: 4 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: ./NaTaO3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 32 9 1119 841 135 Max 40 33 10 1122 859 140 Sum 1433 1185 349 40339 30551 4945 bravais-lattice index = 14 lattice parameter (alat) = 7.4247 a.u. unit-cell volume = 409.3008 (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 = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.424733 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ta 13.00 180.94790 Ta( 1.00) Na 9.00 22.98980 Na( 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= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032258 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032258 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032258 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032258 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032258 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032258 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032258 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032258 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032258 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032258 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032258 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032258 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032258 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032258 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032258 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032258 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032258 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032258 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032258 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032258 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032258 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032258 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032258 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032258 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032258 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032258 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032258 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032258 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032258 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032258 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032258 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032258 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032258 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032258 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032258 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032258 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032258 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032258 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032258 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032258 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032258 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032258 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032258 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032258 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032258 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032258 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032258 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032258 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032258 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032258 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032258 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032258 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032258 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032258 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032258 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032258 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032258 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032258 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032258 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032258 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032258 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032258 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032258 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032258 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032258 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032258 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032258 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032258 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0032258 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0032258 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0032258 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0032258 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0032258 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0032258 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0032258 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0032258 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0032258 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0032258 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0032258 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0032258 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0032258 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0032258 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0032258 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0032258 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0032258 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0032258 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032258 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0032258 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0032258 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0032258 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0032258 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0032258 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0032258 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0032258 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0032258 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0032258 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0032258 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0032258 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0032258 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0032258 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0032258 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0032258 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0032258 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0032258 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0032258 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032258 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0032258 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0032258 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0032258 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0032258 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0032258 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0032258 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0032258 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0032258 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0032258 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0032258 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0032258 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0032258 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0032258 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0032258 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0032258 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0032258 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0032258 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 142) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0032258 k( 143) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0032258 k( 144) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0032258 k( 145) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0032258 k( 146) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0032258 k( 147) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0032258 k( 148) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 149) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0032258 k( 150) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0032258 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032258 k( 152) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0032258 k( 153) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0032258 k( 154) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0032258 k( 155) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 156) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0032258 k( 157) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0032258 k( 158) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0032258 k( 159) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0032258 k( 160) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0032258 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032258 k( 162) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 163) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0032258 k( 164) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0032258 k( 165) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0032258 k( 166) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0032258 k( 167) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0032258 k( 168) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0032258 k( 169) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 170) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0032258 k( 171) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032258 k( 172) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0032258 k( 173) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0032258 k( 174) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0032258 k( 175) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0032258 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 177) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0032258 k( 178) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0032258 k( 179) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0032258 k( 180) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0032258 k( 181) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032258 k( 182) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0032258 k( 183) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 184) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0032258 k( 185) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0032258 k( 186) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0032258 k( 187) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0032258 k( 188) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0032258 k( 189) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0032258 k( 190) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 191) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032258 k( 192) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0032258 k( 193) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0032258 k( 194) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0032258 k( 195) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0032258 k( 196) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0032258 k( 197) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 198) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0032258 k( 199) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0032258 k( 200) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0032258 k( 201) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032258 k( 202) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0032258 k( 203) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0032258 k( 204) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 205) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0032258 k( 206) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0032258 k( 207) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0032258 k( 208) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0032258 k( 209) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0032258 k( 210) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0032258 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 213) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032258 k( 214) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032258 k( 215) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032258 k( 216) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032258 k( 217) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0032258 k( 218) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032258 k( 219) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032258 k( 220) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032258 k( 221) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032258 k( 222) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032258 k( 223) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032258 k( 224) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032258 k( 225) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032258 k( 226) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032258 k( 227) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0032258 k( 228) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032258 k( 229) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032258 k( 230) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032258 k( 231) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032258 k( 232) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032258 k( 233) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032258 k( 234) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032258 k( 235) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032258 k( 236) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032258 k( 237) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0032258 k( 238) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032258 k( 239) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032258 k( 240) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032258 k( 241) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032258 k( 242) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032258 k( 243) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032258 k( 244) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0032258 k( 245) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032258 k( 246) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032258 k( 247) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032258 k( 248) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032258 k( 249) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032258 k( 250) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032258 k( 251) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032258 k( 252) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032258 k( 253) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032258 k( 254) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0032258 k( 255) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032258 k( 256) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032258 k( 257) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032258 k( 258) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032258 k( 259) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032258 k( 260) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032258 k( 261) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032258 k( 262) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032258 k( 263) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032258 k( 264) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0032258 k( 265) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032258 k( 266) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032258 k( 267) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032258 k( 268) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032258 k( 269) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 270) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 271) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032258 k( 272) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032258 k( 273) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032258 k( 274) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032258 k( 275) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032258 k( 276) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032258 k( 277) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032258 k( 278) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032258 k( 279) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032258 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032258 k( 281) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032258 k( 282) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032258 k( 283) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032258 k( 284) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032258 k( 285) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032258 k( 286) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032258 k( 287) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032258 k( 288) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032258 k( 289) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032258 k( 290) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032258 k( 291) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032258 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032258 k( 293) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032258 k( 294) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032258 k( 295) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032258 k( 296) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032258 k( 297) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032258 k( 298) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032258 k( 299) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032258 k( 300) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032258 k( 301) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032258 k( 302) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032258 k( 303) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032258 k( 304) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032258 k( 305) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032258 k( 306) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032258 k( 307) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032258 k( 308) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032258 k( 309) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032258 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032258 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032258 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032258 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032258 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032258 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032258 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032258 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032258 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032258 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032258 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032258 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032258 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032258 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032258 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032258 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032258 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032258 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032258 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032258 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032258 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032258 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032258 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032258 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032258 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032258 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032258 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032258 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032258 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032258 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032258 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032258 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032258 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032258 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032258 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032258 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032258 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032258 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032258 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032258 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032258 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032258 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032258 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032258 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032258 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032258 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032258 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032258 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032258 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032258 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032258 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032258 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032258 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032258 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032258 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032258 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032258 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032258 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032258 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032258 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032258 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032258 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032258 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032258 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032258 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032258 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032258 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032258 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032258 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032258 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032258 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032258 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032258 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032258 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032258 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032258 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032258 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0032258 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0032258 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0032258 k( 87) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0032258 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0032258 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0032258 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0032258 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0032258 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0032258 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0032258 k( 94) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0032258 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0032258 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0032258 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0032258 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0032258 k( 99) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0032258 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0032258 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0032258 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 103) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0032258 k( 104) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0032258 k( 105) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0032258 k( 106) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0032258 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0032258 k( 108) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0032258 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0032258 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0032258 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0032258 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0032258 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0032258 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0032258 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0032258 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0032258 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0032258 k( 118) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0032258 k( 119) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0032258 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0032258 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032258 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0032258 k( 123) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0032258 k( 124) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0032258 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0032258 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0032258 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0032258 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0032258 k( 129) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0032258 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0032258 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0032258 k( 132) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0032258 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0032258 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0032258 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0032258 k( 136) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0032258 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0032258 k( 138) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0032258 k( 139) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 142) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0032258 k( 143) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0032258 k( 144) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0032258 k( 145) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0032258 k( 146) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0032258 k( 147) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0032258 k( 148) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 149) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0032258 k( 150) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0032258 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032258 k( 152) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0032258 k( 153) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0032258 k( 154) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0032258 k( 155) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 156) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0032258 k( 157) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0032258 k( 158) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0032258 k( 159) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0032258 k( 160) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0032258 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032258 k( 162) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 163) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0032258 k( 164) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0032258 k( 165) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0032258 k( 166) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0032258 k( 167) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0032258 k( 168) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0032258 k( 169) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 170) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0032258 k( 171) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032258 k( 172) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0032258 k( 173) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0032258 k( 174) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0032258 k( 175) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0032258 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 177) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0032258 k( 178) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0032258 k( 179) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0032258 k( 180) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0032258 k( 181) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032258 k( 182) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0032258 k( 183) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 184) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0032258 k( 185) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0032258 k( 186) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0032258 k( 187) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0032258 k( 188) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0032258 k( 189) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0032258 k( 190) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 191) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032258 k( 192) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0032258 k( 193) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0032258 k( 194) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0032258 k( 195) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0032258 k( 196) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0032258 k( 197) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 198) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0032258 k( 199) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0032258 k( 200) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0032258 k( 201) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032258 k( 202) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0032258 k( 203) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0032258 k( 204) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 205) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0032258 k( 206) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0032258 k( 207) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0032258 k( 208) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0032258 k( 209) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0032258 k( 210) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0032258 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 213) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032258 k( 214) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032258 k( 215) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032258 k( 216) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032258 k( 217) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0032258 k( 218) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032258 k( 219) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032258 k( 220) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032258 k( 221) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032258 k( 222) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032258 k( 223) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032258 k( 224) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032258 k( 225) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032258 k( 226) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032258 k( 227) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0032258 k( 228) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032258 k( 229) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032258 k( 230) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032258 k( 231) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032258 k( 232) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032258 k( 233) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032258 k( 234) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032258 k( 235) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032258 k( 236) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032258 k( 237) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0032258 k( 238) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032258 k( 239) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032258 k( 240) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032258 k( 241) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032258 k( 242) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032258 k( 243) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032258 k( 244) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0032258 k( 245) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032258 k( 246) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032258 k( 247) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032258 k( 248) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032258 k( 249) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032258 k( 250) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032258 k( 251) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032258 k( 252) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032258 k( 253) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032258 k( 254) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0032258 k( 255) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032258 k( 256) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032258 k( 257) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032258 k( 258) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032258 k( 259) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032258 k( 260) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032258 k( 261) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032258 k( 262) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032258 k( 263) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032258 k( 264) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0032258 k( 265) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032258 k( 266) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032258 k( 267) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032258 k( 268) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032258 k( 269) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 270) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 271) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032258 k( 272) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032258 k( 273) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032258 k( 274) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032258 k( 275) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032258 k( 276) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032258 k( 277) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032258 k( 278) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032258 k( 279) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032258 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032258 k( 281) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032258 k( 282) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032258 k( 283) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032258 k( 284) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032258 k( 285) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032258 k( 286) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032258 k( 287) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032258 k( 288) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032258 k( 289) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032258 k( 290) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032258 k( 291) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032258 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032258 k( 293) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032258 k( 294) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032258 k( 295) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032258 k( 296) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032258 k( 297) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032258 k( 298) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032258 k( 299) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032258 k( 300) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032258 k( 301) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032258 k( 302) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032258 k( 303) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032258 k( 304) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032258 k( 305) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032258 k( 306) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032258 k( 307) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032258 k( 308) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032258 k( 309) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032258 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 Dense grid: 40339 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 30551 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 212, 48) NL pseudopotentials 0.15 Mb ( 106, 90) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1122) G-vector shells 0.00 Mb ( 291) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 212, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.13 Mb ( 90, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaTaO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.1 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.3 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.9 secs Computing kpt #: 18 total cpu time spent up to now is 7.2 secs Computing kpt #: 19 total cpu time spent up to now is 7.5 secs Computing kpt #: 20 total cpu time spent up to now is 7.8 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.4 secs Computing kpt #: 23 total cpu time spent up to now is 8.7 secs Computing kpt #: 24 total cpu time spent up to now is 9.0 secs Computing kpt #: 25 total cpu time spent up to now is 9.3 secs Computing kpt #: 26 total cpu time spent up to now is 9.6 secs Computing kpt #: 27 total cpu time spent up to now is 10.0 secs Computing kpt #: 28 total cpu time spent up to now is 10.3 secs Computing kpt #: 29 total cpu time spent up to now is 10.6 secs Computing kpt #: 30 total cpu time spent up to now is 10.9 secs Computing kpt #: 31 total cpu time spent up to now is 11.3 secs Computing kpt #: 32 total cpu time spent up to now is 11.6 secs Computing kpt #: 33 total cpu time spent up to now is 12.0 secs Computing kpt #: 34 total cpu time spent up to now is 12.3 secs Computing kpt #: 35 total cpu time spent up to now is 12.7 secs Computing kpt #: 36 total cpu time spent up to now is 13.1 secs Computing kpt #: 37 total cpu time spent up to now is 13.5 secs Computing kpt #: 38 total cpu time spent up to now is 13.9 secs Computing kpt #: 39 total cpu time spent up to now is 14.5 secs Computing kpt #: 40 total cpu time spent up to now is 15.1 secs Computing kpt #: 41 total cpu time spent up to now is 15.5 secs Computing kpt #: 42 total cpu time spent up to now is 15.9 secs Computing kpt #: 43 total cpu time spent up to now is 16.3 secs Computing kpt #: 44 total cpu time spent up to now is 16.7 secs Computing kpt #: 45 total cpu time spent up to now is 17.1 secs Computing kpt #: 46 total cpu time spent up to now is 17.5 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.3 secs Computing kpt #: 49 total cpu time spent up to now is 18.7 secs Computing kpt #: 50 total cpu time spent up to now is 19.1 secs Computing kpt #: 51 total cpu time spent up to now is 19.5 secs Computing kpt #: 52 total cpu time spent up to now is 19.9 secs Computing kpt #: 53 total cpu time spent up to now is 20.2 secs Computing kpt #: 54 total cpu time spent up to now is 20.6 secs Computing kpt #: 55 total cpu time spent up to now is 21.0 secs Computing kpt #: 56 total cpu time spent up to now is 21.4 secs Computing kpt #: 57 total cpu time spent up to now is 21.7 secs Computing kpt #: 58 total cpu time spent up to now is 22.1 secs Computing kpt #: 59 total cpu time spent up to now is 22.5 secs Computing kpt #: 60 total cpu time spent up to now is 22.9 secs Computing kpt #: 61 total cpu time spent up to now is 23.2 secs Computing kpt #: 62 total cpu time spent up to now is 23.6 secs Computing kpt #: 63 total cpu time spent up to now is 24.0 secs Computing kpt #: 64 total cpu time spent up to now is 24.3 secs Computing kpt #: 65 total cpu time spent up to now is 24.7 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.4 secs Computing kpt #: 68 total cpu time spent up to now is 25.9 secs Computing kpt #: 69 total cpu time spent up to now is 26.2 secs Computing kpt #: 70 total cpu time spent up to now is 26.6 secs Computing kpt #: 71 total cpu time spent up to now is 26.9 secs Computing kpt #: 72 total cpu time spent up to now is 27.2 secs Computing kpt #: 73 total cpu time spent up to now is 27.6 secs Computing kpt #: 74 total cpu time spent up to now is 27.9 secs Computing kpt #: 75 total cpu time spent up to now is 28.2 secs Computing kpt #: 76 total cpu time spent up to now is 28.6 secs Computing kpt #: 77 total cpu time spent up to now is 28.9 secs Computing kpt #: 78 total cpu time spent up to now is 29.2 secs Computing kpt #: 79 total cpu time spent up to now is 29.6 secs Computing kpt #: 80 total cpu time spent up to now is 29.9 secs Computing kpt #: 81 total cpu time spent up to now is 30.2 secs Computing kpt #: 82 total cpu time spent up to now is 30.5 secs Computing kpt #: 83 total cpu time spent up to now is 30.8 secs Computing kpt #: 84 total cpu time spent up to now is 31.2 secs Computing kpt #: 85 total cpu time spent up to now is 31.5 secs Computing kpt #: 86 total cpu time spent up to now is 31.8 secs Computing kpt #: 87 total cpu time spent up to now is 32.1 secs Computing kpt #: 88 total cpu time spent up to now is 32.5 secs Computing kpt #: 89 total cpu time spent up to now is 32.8 secs Computing kpt #: 90 total cpu time spent up to now is 33.1 secs Computing kpt #: 91 total cpu time spent up to now is 33.5 secs Computing kpt #: 92 total cpu time spent up to now is 33.8 secs Computing kpt #: 93 total cpu time spent up to now is 34.2 secs Computing kpt #: 94 total cpu time spent up to now is 34.6 secs Computing kpt #: 95 total cpu time spent up to now is 34.9 secs Computing kpt #: 96 total cpu time spent up to now is 35.3 secs Computing kpt #: 97 total cpu time spent up to now is 35.6 secs Computing kpt #: 98 total cpu time spent up to now is 36.0 secs Computing kpt #: 99 total cpu time spent up to now is 36.3 secs Computing kpt #: 100 total cpu time spent up to now is 36.6 secs Computing kpt #: 101 total cpu time spent up to now is 37.0 secs Computing kpt #: 102 total cpu time spent up to now is 37.3 secs Computing kpt #: 103 total cpu time spent up to now is 37.7 secs Computing kpt #: 104 total cpu time spent up to now is 38.0 secs Computing kpt #: 105 total cpu time spent up to now is 38.3 secs Computing kpt #: 106 total cpu time spent up to now is 38.7 secs Computing kpt #: 107 total cpu time spent up to now is 39.0 secs Computing kpt #: 108 total cpu time spent up to now is 39.3 secs Computing kpt #: 109 total cpu time spent up to now is 39.7 secs Computing kpt #: 110 total cpu time spent up to now is 40.0 secs Computing kpt #: 111 total cpu time spent up to now is 40.3 secs Computing kpt #: 112 total cpu time spent up to now is 40.7 secs Computing kpt #: 113 total cpu time spent up to now is 41.0 secs Computing kpt #: 114 total cpu time spent up to now is 41.3 secs Computing kpt #: 115 total cpu time spent up to now is 41.6 secs Computing kpt #: 116 total cpu time spent up to now is 41.9 secs Computing kpt #: 117 total cpu time spent up to now is 42.3 secs Computing kpt #: 118 total cpu time spent up to now is 42.6 secs Computing kpt #: 119 total cpu time spent up to now is 42.9 secs Computing kpt #: 120 total cpu time spent up to now is 43.2 secs Computing kpt #: 121 total cpu time spent up to now is 43.5 secs Computing kpt #: 122 total cpu time spent up to now is 43.9 secs Computing kpt #: 123 total cpu time spent up to now is 44.2 secs Computing kpt #: 124 total cpu time spent up to now is 44.5 secs Computing kpt #: 125 total cpu time spent up to now is 44.8 secs Computing kpt #: 126 total cpu time spent up to now is 45.1 secs Computing kpt #: 127 total cpu time spent up to now is 45.4 secs Computing kpt #: 128 total cpu time spent up to now is 45.7 secs Computing kpt #: 129 total cpu time spent up to now is 46.0 secs Computing kpt #: 130 total cpu time spent up to now is 46.4 secs Computing kpt #: 131 total cpu time spent up to now is 46.6 secs Computing kpt #: 132 total cpu time spent up to now is 46.9 secs Computing kpt #: 133 total cpu time spent up to now is 47.2 secs Computing kpt #: 134 total cpu time spent up to now is 47.5 secs Computing kpt #: 135 total cpu time spent up to now is 47.8 secs Computing kpt #: 136 total cpu time spent up to now is 48.1 secs Computing kpt #: 137 total cpu time spent up to now is 48.4 secs Computing kpt #: 138 total cpu time spent up to now is 48.6 secs Computing kpt #: 139 total cpu time spent up to now is 48.9 secs Computing kpt #: 140 total cpu time spent up to now is 49.2 secs Computing kpt #: 141 total cpu time spent up to now is 49.4 secs Computing kpt #: 142 total cpu time spent up to now is 49.7 secs Computing kpt #: 143 total cpu time spent up to now is 50.0 secs Computing kpt #: 144 total cpu time spent up to now is 50.3 secs Computing kpt #: 145 total cpu time spent up to now is 50.5 secs Computing kpt #: 146 total cpu time spent up to now is 50.8 secs Computing kpt #: 147 total cpu time spent up to now is 51.1 secs Computing kpt #: 148 total cpu time spent up to now is 51.4 secs Computing kpt #: 149 total cpu time spent up to now is 51.7 secs Computing kpt #: 150 total cpu time spent up to now is 52.0 secs Computing kpt #: 151 total cpu time spent up to now is 52.3 secs Computing kpt #: 152 total cpu time spent up to now is 52.6 secs Computing kpt #: 153 total cpu time spent up to now is 52.9 secs Computing kpt #: 154 total cpu time spent up to now is 53.2 secs Computing kpt #: 155 total cpu time spent up to now is 53.5 secs Computing kpt #: 156 total cpu time spent up to now is 53.7 secs Computing kpt #: 157 total cpu time spent up to now is 54.1 secs Computing kpt #: 158 total cpu time spent up to now is 54.4 secs Computing kpt #: 159 total cpu time spent up to now is 54.7 secs Computing kpt #: 160 total cpu time spent up to now is 55.0 secs Computing kpt #: 161 total cpu time spent up to now is 55.3 secs Computing kpt #: 162 total cpu time spent up to now is 55.6 secs Computing kpt #: 163 total cpu time spent up to now is 55.9 secs Computing kpt #: 164 total cpu time spent up to now is 56.2 secs Computing kpt #: 165 total cpu time spent up to now is 56.5 secs Computing kpt #: 166 total cpu time spent up to now is 56.8 secs Computing kpt #: 167 total cpu time spent up to now is 57.1 secs Computing kpt #: 168 total cpu time spent up to now is 57.4 secs Computing kpt #: 169 total cpu time spent up to now is 57.7 secs Computing kpt #: 170 total cpu time spent up to now is 58.0 secs Computing kpt #: 171 total cpu time spent up to now is 58.3 secs Computing kpt #: 172 total cpu time spent up to now is 58.6 secs Computing kpt #: 173 total cpu time spent up to now is 58.9 secs Computing kpt #: 174 total cpu time spent up to now is 59.2 secs Computing kpt #: 175 total cpu time spent up to now is 59.5 secs Computing kpt #: 176 total cpu time spent up to now is 59.8 secs Computing kpt #: 177 total cpu time spent up to now is 60.1 secs Computing kpt #: 178 total cpu time spent up to now is 60.4 secs Computing kpt #: 179 total cpu time spent up to now is 60.7 secs Computing kpt #: 180 total cpu time spent up to now is 61.1 secs Computing kpt #: 181 total cpu time spent up to now is 61.4 secs Computing kpt #: 182 total cpu time spent up to now is 61.7 secs Computing kpt #: 183 total cpu time spent up to now is 62.0 secs Computing kpt #: 184 total cpu time spent up to now is 62.3 secs Computing kpt #: 185 total cpu time spent up to now is 62.7 secs Computing kpt #: 186 total cpu time spent up to now is 63.0 secs Computing kpt #: 187 total cpu time spent up to now is 63.3 secs Computing kpt #: 188 total cpu time spent up to now is 63.6 secs Computing kpt #: 189 total cpu time spent up to now is 63.9 secs Computing kpt #: 190 total cpu time spent up to now is 64.3 secs Computing kpt #: 191 total cpu time spent up to now is 64.6 secs Computing kpt #: 192 total cpu time spent up to now is 64.9 secs Computing kpt #: 193 total cpu time spent up to now is 65.2 secs Computing kpt #: 194 total cpu time spent up to now is 65.5 secs Computing kpt #: 195 total cpu time spent up to now is 65.8 secs Computing kpt #: 196 total cpu time spent up to now is 66.2 secs Computing kpt #: 197 total cpu time spent up to now is 66.5 secs Computing kpt #: 198 total cpu time spent up to now is 66.8 secs Computing kpt #: 199 total cpu time spent up to now is 67.1 secs Computing kpt #: 200 total cpu time spent up to now is 67.4 secs Computing kpt #: 201 total cpu time spent up to now is 67.7 secs Computing kpt #: 202 total cpu time spent up to now is 68.0 secs Computing kpt #: 203 total cpu time spent up to now is 68.3 secs Computing kpt #: 204 total cpu time spent up to now is 68.6 secs Computing kpt #: 205 total cpu time spent up to now is 68.9 secs Computing kpt #: 206 total cpu time spent up to now is 69.2 secs Computing kpt #: 207 total cpu time spent up to now is 69.7 secs Computing kpt #: 208 total cpu time spent up to now is 70.0 secs Computing kpt #: 209 total cpu time spent up to now is 70.2 secs Computing kpt #: 210 total cpu time spent up to now is 70.5 secs Computing kpt #: 211 total cpu time spent up to now is 70.8 secs Computing kpt #: 212 total cpu time spent up to now is 71.1 secs Computing kpt #: 213 total cpu time spent up to now is 71.4 secs Computing kpt #: 214 total cpu time spent up to now is 71.7 secs Computing kpt #: 215 total cpu time spent up to now is 72.0 secs Computing kpt #: 216 total cpu time spent up to now is 72.3 secs Computing kpt #: 217 total cpu time spent up to now is 72.5 secs Computing kpt #: 218 total cpu time spent up to now is 72.8 secs Computing kpt #: 219 total cpu time spent up to now is 73.1 secs Computing kpt #: 220 total cpu time spent up to now is 73.4 secs Computing kpt #: 221 total cpu time spent up to now is 73.7 secs Computing kpt #: 222 total cpu time spent up to now is 74.0 secs Computing kpt #: 223 total cpu time spent up to now is 74.3 secs Computing kpt #: 224 total cpu time spent up to now is 74.6 secs Computing kpt #: 225 total cpu time spent up to now is 74.9 secs Computing kpt #: 226 total cpu time spent up to now is 75.2 secs Computing kpt #: 227 total cpu time spent up to now is 75.5 secs Computing kpt #: 228 total cpu time spent up to now is 75.9 secs Computing kpt #: 229 total cpu time spent up to now is 76.2 secs Computing kpt #: 230 total cpu time spent up to now is 76.5 secs Computing kpt #: 231 total cpu time spent up to now is 76.8 secs Computing kpt #: 232 total cpu time spent up to now is 77.1 secs Computing kpt #: 233 total cpu time spent up to now is 77.4 secs Computing kpt #: 234 total cpu time spent up to now is 77.7 secs Computing kpt #: 235 total cpu time spent up to now is 78.0 secs Computing kpt #: 236 total cpu time spent up to now is 78.3 secs Computing kpt #: 237 total cpu time spent up to now is 78.6 secs Computing kpt #: 238 total cpu time spent up to now is 79.0 secs Computing kpt #: 239 total cpu time spent up to now is 79.3 secs Computing kpt #: 240 total cpu time spent up to now is 79.6 secs Computing kpt #: 241 total cpu time spent up to now is 79.9 secs Computing kpt #: 242 total cpu time spent up to now is 80.2 secs Computing kpt #: 243 total cpu time spent up to now is 80.6 secs Computing kpt #: 244 total cpu time spent up to now is 80.9 secs Computing kpt #: 245 total cpu time spent up to now is 81.2 secs Computing kpt #: 246 total cpu time spent up to now is 81.5 secs Computing kpt #: 247 total cpu time spent up to now is 81.8 secs Computing kpt #: 248 total cpu time spent up to now is 82.2 secs Computing kpt #: 249 total cpu time spent up to now is 82.5 secs Computing kpt #: 250 total cpu time spent up to now is 82.8 secs Computing kpt #: 251 total cpu time spent up to now is 83.1 secs Computing kpt #: 252 total cpu time spent up to now is 83.4 secs Computing kpt #: 253 total cpu time spent up to now is 83.8 secs Computing kpt #: 254 total cpu time spent up to now is 84.1 secs Computing kpt #: 255 total cpu time spent up to now is 84.4 secs Computing kpt #: 256 total cpu time spent up to now is 84.8 secs Computing kpt #: 257 total cpu time spent up to now is 85.2 secs Computing kpt #: 258 total cpu time spent up to now is 85.5 secs Computing kpt #: 259 total cpu time spent up to now is 85.9 secs Computing kpt #: 260 total cpu time spent up to now is 86.3 secs Computing kpt #: 261 total cpu time spent up to now is 86.7 secs Computing kpt #: 262 total cpu time spent up to now is 87.1 secs Computing kpt #: 263 total cpu time spent up to now is 87.5 secs Computing kpt #: 264 total cpu time spent up to now is 87.9 secs Computing kpt #: 265 total cpu time spent up to now is 88.3 secs Computing kpt #: 266 total cpu time spent up to now is 88.7 secs Computing kpt #: 267 total cpu time spent up to now is 89.1 secs Computing kpt #: 268 total cpu time spent up to now is 89.5 secs Computing kpt #: 269 total cpu time spent up to now is 89.9 secs Computing kpt #: 270 total cpu time spent up to now is 90.2 secs Computing kpt #: 271 total cpu time spent up to now is 90.5 secs Computing kpt #: 272 total cpu time spent up to now is 90.9 secs Computing kpt #: 273 total cpu time spent up to now is 91.2 secs Computing kpt #: 274 total cpu time spent up to now is 91.5 secs Computing kpt #: 275 total cpu time spent up to now is 91.8 secs Computing kpt #: 276 total cpu time spent up to now is 92.1 secs Computing kpt #: 277 total cpu time spent up to now is 92.5 secs Computing kpt #: 278 total cpu time spent up to now is 92.8 secs Computing kpt #: 279 total cpu time spent up to now is 93.2 secs Computing kpt #: 280 total cpu time spent up to now is 93.7 secs Computing kpt #: 281 total cpu time spent up to now is 94.1 secs Computing kpt #: 282 total cpu time spent up to now is 94.4 secs Computing kpt #: 283 total cpu time spent up to now is 94.8 secs Computing kpt #: 284 total cpu time spent up to now is 95.1 secs Computing kpt #: 285 total cpu time spent up to now is 95.4 secs Computing kpt #: 286 total cpu time spent up to now is 95.7 secs Computing kpt #: 287 total cpu time spent up to now is 96.1 secs Computing kpt #: 288 total cpu time spent up to now is 96.4 secs Computing kpt #: 289 total cpu time spent up to now is 96.7 secs Computing kpt #: 290 total cpu time spent up to now is 97.0 secs Computing kpt #: 291 total cpu time spent up to now is 97.3 secs Computing kpt #: 292 total cpu time spent up to now is 97.6 secs Computing kpt #: 293 total cpu time spent up to now is 97.9 secs Computing kpt #: 294 total cpu time spent up to now is 98.2 secs Computing kpt #: 295 total cpu time spent up to now is 98.5 secs Computing kpt #: 296 total cpu time spent up to now is 98.8 secs Computing kpt #: 297 total cpu time spent up to now is 99.1 secs Computing kpt #: 298 total cpu time spent up to now is 99.4 secs Computing kpt #: 299 total cpu time spent up to now is 99.7 secs Computing kpt #: 300 total cpu time spent up to now is 100.0 secs Computing kpt #: 301 total cpu time spent up to now is 100.3 secs Computing kpt #: 302 total cpu time spent up to now is 100.6 secs Computing kpt #: 303 total cpu time spent up to now is 100.9 secs Computing kpt #: 304 total cpu time spent up to now is 101.2 secs Computing kpt #: 305 total cpu time spent up to now is 101.5 secs Computing kpt #: 306 total cpu time spent up to now is 101.7 secs Computing kpt #: 307 total cpu time spent up to now is 102.0 secs Computing kpt #: 308 total cpu time spent up to now is 102.3 secs Computing kpt #: 309 total cpu time spent up to now is 102.6 secs Computing kpt #: 310 total cpu time spent up to now is 102.9 secs ethr = 2.50E-08, avg # of iterations = 15.3 total cpu time spent up to now is 102.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4343 -32.4343 -23.8020 -23.8020 -23.8020 -23.8020 -14.3792 -14.3792 -14.2001 -14.2001 -14.2001 -14.2001 -10.1127 -10.1127 -9.3058 -9.3058 -9.3058 -9.3058 4.4639 4.4639 5.2251 5.2251 5.2251 5.2251 6.5615 6.5615 6.5615 6.5615 6.5779 6.5779 6.7469 6.7469 7.0097 7.0097 7.0097 7.0097 9.9697 9.9697 9.9697 9.9697 10.3948 10.3948 12.5529 12.5529 k = 0.0000 0.0125-0.0000 ( 3791 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4344 -32.4344 -23.8022 -23.8022 -23.8020 -23.8020 -14.3792 -14.3792 -14.2002 -14.2002 -14.2001 -14.2001 -10.1118 -10.1118 -9.3057 -9.3057 -9.3048 -9.3048 4.4630 4.4630 5.2233 5.2233 5.2249 5.2249 6.5591 6.5591 6.5602 6.5602 6.5762 6.5762 6.7443 6.7443 7.0042 7.0042 7.0087 7.0087 9.9717 9.9717 9.9754 9.9754 10.3984 10.3984 12.5561 12.5561 k = 0.0000 0.0250-0.0000 ( 3799 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4344 -32.4344 -23.8027 -23.8027 -23.8020 -23.8020 -14.3792 -14.3792 -14.2003 -14.2003 -14.2002 -14.2002 -10.1093 -10.1093 -9.3056 -9.3056 -9.3020 -9.3020 4.4602 4.4602 5.2176 5.2176 5.2241 5.2241 6.5520 6.5520 6.5560 6.5560 6.5717 6.5717 6.7364 6.7364 6.9882 6.9882 7.0060 7.0060 9.9774 9.9774 9.9923 9.9923 10.4094 10.4094 12.5657 12.5657 k = 0.0000 0.0375-0.0000 ( 3807 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4346 -32.4346 -23.8036 -23.8036 -23.8019 -23.8019 -14.3793 -14.3793 -14.2005 -14.2005 -14.2002 -14.2002 -10.1051 -10.1051 -9.3055 -9.3055 -9.2972 -9.2972 4.4554 4.4554 5.2082 5.2082 5.2228 5.2228 6.5399 6.5399 6.5475 6.5475 6.5660 6.5660 6.7229 6.7229 6.9630 6.9630 7.0017 7.0017 9.9862 9.9862 10.0201 10.0201 10.4280 10.4280 12.5815 12.5815 k = 0.0000 0.0500-0.0000 ( 3807 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4347 -32.4347 -23.8049 -23.8049 -23.8019 -23.8019 -14.3794 -14.3794 -14.2007 -14.2007 -14.2002 -14.2002 -10.0992 -10.0992 -9.3052 -9.3052 -9.2904 -9.2904 4.4485 4.4485 5.1952 5.1952 5.2210 5.2210 6.5224 6.5224 6.5334 6.5334 6.5600 6.5600 6.7030 6.7030 6.9311 6.9311 6.9961 6.9961 9.9973 9.9973 10.0584 10.0584 10.4548 10.4548 12.6034 12.6034 k = 0.0000 0.0625-0.0000 ( 3799 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4348 -32.4348 -23.8064 -23.8064 -23.8018 -23.8018 -14.3795 -14.3795 -14.2009 -14.2009 -14.2001 -14.2001 -10.0919 -10.0919 -9.3049 -9.3049 -9.2817 -9.2817 4.4392 4.4392 5.1787 5.1787 5.2187 5.2187 6.4993 6.4993 6.5142 6.5142 6.5538 6.5538 6.6749 6.6749 6.8961 6.8961 6.9898 6.9898 10.0098 10.0098 10.1066 10.1066 10.4901 10.4901 12.6313 12.6313 k = 0.0000 0.0750-0.0000 ( 3815 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4351 -32.4351 -23.8083 -23.8083 -23.8017 -23.8017 -14.3797 -14.3797 -14.2013 -14.2013 -14.2002 -14.2002 -10.0832 -10.0832 -9.3046 -9.3046 -9.2709 -9.2709 4.4271 4.4271 5.1588 5.1588 5.2158 5.2158 6.4703 6.4703 6.4901 6.4901 6.5468 6.5468 6.6362 6.6362 6.8626 6.8626 6.9830 6.9830 10.0228 10.0228 10.1639 10.1639 10.5343 10.5343 12.6647 12.6647 k = 0.0000 0.0875-0.0000 ( 3815 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4353 -32.4353 -23.8105 -23.8105 -23.8016 -23.8016 -14.3798 -14.3798 -14.2016 -14.2016 -14.2002 -14.2002 -10.0732 -10.0732 -9.3041 -9.3041 -9.2580 -9.2580 4.4117 4.4117 5.1358 5.1358 5.2123 5.2123 6.4360 6.4360 6.4620 6.4620 6.5390 6.5390 6.5850 6.5850 6.8344 6.8344 6.9762 6.9762 10.0355 10.0355 10.2296 10.2296 10.5872 10.5872 12.7035 12.7035 k = 0.0000 0.1000-0.0000 ( 3815 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4356 -32.4356 -23.8130 -23.8130 -23.8015 -23.8015 -14.3800 -14.3800 -14.2020 -14.2020 -14.2002 -14.2002 -10.0621 -10.0621 -9.3036 -9.3036 -9.2430 -9.2430 4.3924 4.3924 5.1100 5.1100 5.2082 5.2082 6.3966 6.3966 6.4301 6.4301 6.5221 6.5221 6.5304 6.5304 6.8126 6.8126 6.9695 6.9695 10.0476 10.0476 10.3028 10.3028 10.6486 10.6486 12.7474 12.7474 k = 0.0000 0.1125-0.0000 ( 3815 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4359 -32.4359 -23.8158 -23.8158 -23.8013 -23.8013 -14.3802 -14.3802 -14.2025 -14.2025 -14.2001 -14.2001 -10.0501 -10.0501 -9.3031 -9.3031 -9.2258 -9.2258 4.3685 4.3685 5.0818 5.0818 5.2034 5.2034 6.3526 6.3526 6.3951 6.3951 6.4501 6.4501 6.5208 6.5208 6.7965 6.7965 6.9633 6.9633 10.0587 10.0587 10.3829 10.3829 10.7181 10.7181 12.7962 12.7962 k = 0.0000 0.1250-0.0000 ( 3823 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4362 -32.4362 -23.8189 -23.8189 -23.8012 -23.8012 -14.3805 -14.3805 -14.2030 -14.2030 -14.2002 -14.2002 -10.0372 -10.0372 -9.3025 -9.3025 -9.2063 -9.2063 4.3390 4.3390 5.0520 5.0520 5.1979 5.1979 6.3043 6.3043 6.3574 6.3574 6.3725 6.3725 6.5104 6.5104 6.7847 6.7847 6.9576 6.9576 10.0690 10.0690 10.4690 10.4690 10.7948 10.7948 12.8495 12.8495 k = 0.0000 0.1375-0.0000 ( 3815 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4365 -32.4365 -23.8222 -23.8222 -23.8010 -23.8010 -14.3807 -14.3807 -14.2035 -14.2035 -14.2001 -14.2001 -10.0238 -10.0238 -9.3018 -9.3018 -9.1846 -9.1846 4.3031 4.3031 5.0212 5.0212 5.1917 5.1917 6.2510 6.2510 6.2937 6.2937 6.3177 6.3177 6.4993 6.4993 6.7759 6.7759 6.9525 6.9525 10.0784 10.0784 10.5603 10.5603 10.8780 10.8780 12.9071 12.9071 k = 0.0000 0.1500-0.0000 ( 3807 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4369 -32.4369 -23.8257 -23.8257 -23.8008 -23.8008 -14.3809 -14.3809 -14.2040 -14.2040 -14.2000 -14.2000 -10.0099 -10.0099 -9.3011 -9.3011 -9.1606 -9.1606 4.2595 4.2595 4.9904 4.9904 5.1846 5.1846 6.1874 6.1874 6.2217 6.2217 6.2766 6.2766 6.4874 6.4874 6.7692 6.7692 6.9480 6.9480 10.0870 10.0870 10.6562 10.6562 10.9670 10.9670 12.9689 12.9689 k = 0.0000 0.1625-0.0000 ( 3811 PWs) bands (ev): -59.5245 -59.5245 -42.3428 -42.3428 -32.4373 -32.4373 -23.8294 -23.8294 -23.8006 -23.8006 -14.3812 -14.3812 -14.2046 -14.2046 -14.2000 -14.2000 -9.9958 -9.9958 -9.3004 -9.3004 -9.1342 -9.1342 4.2076 4.2076 4.9603 4.9603 5.1767 5.1767 6.1113 6.1113 6.1612 6.1612 6.2346 6.2346 6.4749 6.4749 6.7641 6.7641 6.9440 6.9440 10.0950 10.0950 10.7559 10.7559 11.0607 11.0607 13.0345 13.0345 k = 0.0000 0.1750-0.0000 ( 3811 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4377 -32.4377 -23.8333 -23.8333 -23.8003 -23.8003 -14.3815 -14.3815 -14.2052 -14.2052 -14.2000 -14.2000 -9.9816 -9.9816 -9.2996 -9.2996 -9.1056 -9.1056 4.1466 4.1466 4.9319 4.9319 5.1680 5.1680 6.0321 6.0321 6.1048 6.1048 6.1923 6.1923 6.4618 6.4618 6.7601 6.7601 6.9406 6.9406 10.1024 10.1024 10.8589 10.8589 11.1586 11.1586 13.1039 13.1039 k = 0.0000 0.1875-0.0000 ( 3811 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4381 -32.4381 -23.8373 -23.8373 -23.8001 -23.8001 -14.3818 -14.3818 -14.2059 -14.2059 -14.1999 -14.1999 -9.9675 -9.9675 -9.2988 -9.2988 -9.0747 -9.0747 4.0762 4.0762 4.9057 4.9057 5.1583 5.1583 5.9544 5.9544 6.0495 6.0495 6.1503 6.1503 6.4483 6.4483 6.7569 6.7569 6.9376 6.9376 10.1093 10.1093 10.9644 10.9644 11.2598 11.2598 13.1767 13.1767 k = 0.0000 0.2000-0.0000 ( 3811 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4386 -32.4386 -23.8415 -23.8415 -23.7999 -23.7999 -14.3821 -14.3821 -14.2065 -14.2065 -14.1999 -14.1999 -9.9536 -9.9536 -9.2979 -9.2979 -9.0417 -9.0417 3.9966 3.9966 4.8821 4.8821 5.1476 5.1476 5.8798 5.8798 5.9948 5.9948 6.1088 6.1088 6.4344 6.4344 6.7543 6.7543 6.9349 6.9349 10.1159 10.1159 11.0718 11.0718 11.3637 11.3637 13.2528 13.2528 k = 0.0000 0.2125-0.0000 ( 3811 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4391 -32.4391 -23.8458 -23.8458 -23.7997 -23.7997 -14.3824 -14.3824 -14.2072 -14.2072 -14.1999 -14.1999 -9.9400 -9.9400 -9.2971 -9.2971 -9.0067 -9.0067 3.9085 3.9085 4.8614 4.8614 5.1359 5.1359 5.8089 5.8089 5.9409 5.9409 6.0685 6.0685 6.4202 6.4202 6.7523 6.7523 6.9327 6.9327 10.1222 10.1222 11.1807 11.1807 11.4696 11.4696 13.3320 13.3320 k = 0.0000 0.2250-0.0000 ( 3803 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4395 -32.4395 -23.8501 -23.8501 -23.7994 -23.7994 -14.3827 -14.3827 -14.2078 -14.2078 -14.1998 -14.1998 -9.9268 -9.9268 -9.2962 -9.2962 -8.9698 -8.9698 3.8129 3.8129 4.8434 4.8434 5.1233 5.1233 5.7420 5.7420 5.8880 5.8880 6.0296 6.0296 6.4058 6.4058 6.7506 6.7506 6.9308 6.9308 10.1282 10.1282 11.2905 11.2905 11.5768 11.5768 13.4141 13.4141 k = 0.0000 0.2375-0.0000 ( 3803 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4400 -32.4400 -23.8545 -23.8545 -23.7992 -23.7992 -14.3830 -14.3830 -14.2085 -14.2085 -14.1998 -14.1998 -9.9141 -9.9141 -9.2953 -9.2953 -8.9312 -8.9312 3.7108 3.7108 4.8280 4.8280 5.1096 5.1096 5.6791 5.6791 5.8364 5.8364 5.9924 5.9924 6.3913 6.3913 6.7492 6.7492 6.9291 6.9291 10.1340 10.1340 11.4005 11.4005 11.6847 11.6847 13.4990 13.4990 k = 0.0000 0.2500-0.0000 ( 3791 PWs) bands (ev): -59.5243 -59.5243 -42.3426 -42.3426 -32.4404 -32.4404 -23.8589 -23.8589 -23.7989 -23.7989 -14.3833 -14.3833 -14.2091 -14.2091 -14.1997 -14.1997 -9.9020 -9.9020 -9.2944 -9.2944 -8.8911 -8.8911 3.6038 3.6038 4.8149 4.8149 5.0951 5.0951 5.6200 5.6200 5.7864 5.7864 5.9572 5.9572 6.3768 6.3768 6.7481 6.7481 6.9277 6.9277 10.1396 10.1396 11.5104 11.5104 11.7928 11.7928 13.5865 13.5865 k = 0.0000 0.2625-0.0000 ( 3799 PWs) bands (ev): -59.5243 -59.5243 -42.3426 -42.3426 -32.4409 -32.4409 -23.8633 -23.8633 -23.7987 -23.7987 -14.3837 -14.3837 -14.2099 -14.2099 -14.1997 -14.1997 -9.8904 -9.8904 -9.2935 -9.2935 -8.8499 -8.8499 3.4931 3.4931 4.8038 4.8038 5.0796 5.0796 5.5645 5.5645 5.7382 5.7382 5.9241 5.9241 6.3622 6.3622 6.7472 6.7472 6.9265 6.9265 10.1450 10.1450 11.6195 11.6195 11.9004 11.9004 13.6763 13.6763 k = 0.0000 0.2750-0.0000 ( 3799 PWs) bands (ev): -59.5243 -59.5243 -42.3426 -42.3426 -32.4414 -32.4414 -23.8676 -23.8676 -23.7984 -23.7984 -14.3841 -14.3841 -14.2105 -14.2105 -14.1997 -14.1997 -9.8795 -9.8795 -9.2926 -9.2926 -8.8077 -8.8077 3.3802 3.3802 4.7946 4.7946 5.0634 5.0634 5.5124 5.5124 5.6921 5.6921 5.8933 5.8933 6.3479 6.3479 6.7465 6.7465 6.9254 6.9254 10.1502 10.1502 11.7273 11.7273 12.0071 12.0071 13.7684 13.7684 k = 0.0000 0.2875-0.0000 ( 3795 PWs) bands (ev): -59.5243 -59.5243 -42.3426 -42.3426 -32.4419 -32.4419 -23.8719 -23.8719 -23.7982 -23.7982 -14.3844 -14.3844 -14.2112 -14.2112 -14.1996 -14.1996 -9.8692 -9.8692 -9.2918 -9.2918 -8.7649 -8.7649 3.2663 3.2663 4.7870 4.7870 5.0465 5.0465 5.4632 5.4632 5.6482 5.6482 5.8648 5.8648 6.3339 6.3339 6.7458 6.7458 6.9245 6.9245 10.1551 10.1551 11.8334 11.8334 12.1121 12.1121 13.8626 13.8626 k = 0.0000 0.3000-0.0000 ( 3803 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4423 -32.4423 -23.8761 -23.8761 -23.7980 -23.7980 -14.3848 -14.3848 -14.2118 -14.2118 -14.1996 -14.1996 -9.8596 -9.8596 -9.2909 -9.2909 -8.7218 -8.7218 3.1527 3.1527 4.7807 4.7807 5.0291 5.0291 5.4169 5.4169 5.6066 5.6066 5.8386 5.8386 6.3201 6.3201 6.7453 6.7453 6.9237 6.9237 10.1599 10.1599 11.9372 11.9372 12.2151 12.2151 13.9588 13.9588 k = 0.0000 0.3125-0.0000 ( 3807 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4428 -32.4428 -23.8802 -23.8802 -23.7977 -23.7977 -14.3851 -14.3851 -14.2125 -14.2125 -14.1996 -14.1996 -9.8506 -9.8506 -9.2901 -9.2901 -8.6787 -8.6787 3.0406 3.0406 4.7757 4.7757 5.0114 5.0114 5.3732 5.3732 5.5676 5.5676 5.8148 5.8148 6.3068 6.3068 6.7449 6.7449 6.9231 6.9231 10.1645 10.1645 12.0382 12.0382 12.3153 12.3153 14.0567 14.0567 k = 0.0000 0.3250-0.0000 ( 3811 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4432 -32.4432 -23.8842 -23.8842 -23.7975 -23.7975 -14.3855 -14.3855 -14.2131 -14.2131 -14.1996 -14.1996 -9.8423 -9.8423 -9.2893 -9.2893 -8.6360 -8.6360 2.9309 2.9309 4.7717 4.7717 4.9936 4.9936 5.3320 5.3320 5.5312 5.5312 5.7933 5.7933 6.2939 6.2939 6.7446 6.7446 6.9225 6.9225 10.1689 10.1689 12.1359 12.1359 12.4124 12.4124 14.1562 14.1562 k = 0.0000 0.3375-0.0000 ( 3812 PWs) bands (ev): -59.5241 -59.5241 -42.3426 -42.3426 -32.4437 -32.4437 -23.8880 -23.8880 -23.7973 -23.7973 -14.3858 -14.3858 -14.2137 -14.2137 -14.1995 -14.1995 -9.8345 -9.8345 -9.2885 -9.2885 -8.5941 -8.5941 2.8247 2.8247 4.7687 4.7687 4.9759 4.9759 5.2930 5.2930 5.4975 5.4975 5.7739 5.7739 6.2815 6.2815 6.7443 6.7443 6.9220 6.9220 10.1730 10.1730 12.2297 12.2297 12.5057 12.5057 14.2572 14.2572 k = 0.0000 0.3500-0.0000 ( 3796 PWs) bands (ev): -59.5241 -59.5241 -42.3426 -42.3426 -32.4440 -32.4440 -23.8915 -23.8915 -23.7971 -23.7971 -14.3860 -14.3860 -14.2142 -14.2142 -14.1994 -14.1994 -9.8275 -9.8275 -9.2877 -9.2877 -8.5533 -8.5533 2.7228 2.7228 4.7667 4.7667 4.9585 4.9585 5.2564 5.2564 5.4664 5.4664 5.7567 5.7567 6.2699 6.2699 6.7441 6.7441 6.9216 6.9216 10.1769 10.1769 12.3192 12.3192 12.5947 12.5947 14.3595 14.3595 k = 0.0000 0.3625-0.0000 ( 3800 PWs) bands (ev): -59.5241 -59.5241 -42.3426 -42.3426 -32.4444 -32.4444 -23.8949 -23.8949 -23.7969 -23.7969 -14.3863 -14.3863 -14.2147 -14.2147 -14.1994 -14.1994 -9.8210 -9.8210 -9.2870 -9.2870 -8.5141 -8.5141 2.6260 2.6260 4.7654 4.7654 4.9416 4.9416 5.2220 5.2220 5.4381 5.4381 5.7413 5.7413 6.2589 6.2589 6.7439 6.7439 6.9213 6.9213 10.1806 10.1806 12.4039 12.4039 12.6789 12.6789 14.4629 14.4629 k = 0.0000 0.3750-0.0000 ( 3792 PWs) bands (ev): -59.5241 -59.5241 -42.3425 -42.3425 -32.4447 -32.4447 -23.8981 -23.8981 -23.7967 -23.7967 -14.3866 -14.3866 -14.2151 -14.2151 -14.1994 -14.1994 -9.8151 -9.8151 -9.2864 -9.2864 -8.4767 -8.4767 2.5351 2.5351 4.7649 4.7649 4.9255 4.9255 5.1898 5.1898 5.4124 5.4124 5.7278 5.7278 6.2486 6.2486 6.7438 6.7438 6.9210 6.9210 10.1840 10.1840 12.4831 12.4831 12.7578 12.7578 14.5674 14.5674 k = 0.0000 0.3875-0.0000 ( 3796 PWs) bands (ev): -59.5241 -59.5241 -42.3425 -42.3425 -32.4451 -32.4451 -23.9010 -23.9010 -23.7965 -23.7965 -14.3869 -14.3869 -14.2156 -14.2156 -14.1993 -14.1993 -9.8099 -9.8099 -9.2857 -9.2857 -8.4416 -8.4416 2.4507 2.4507 4.7651 4.7651 4.9102 4.9102 5.1599 5.1599 5.3894 5.3894 5.7160 5.7160 6.2391 6.2391 6.7437 6.7437 6.9208 6.9208 10.1871 10.1871 12.5566 12.5566 12.8309 12.8309 14.6728 14.6728 k = 0.0000 0.4000-0.0000 ( 3788 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4453 -32.4453 -23.9037 -23.9037 -23.7964 -23.7964 -14.3871 -14.3871 -14.2159 -14.2159 -14.1993 -14.1993 -9.8052 -9.8052 -9.2852 -9.2852 -8.4091 -8.4091 2.3735 2.3735 4.7658 4.7658 4.8961 4.8961 5.1325 5.1325 5.3690 5.3690 5.7057 5.7057 6.2305 6.2305 6.7437 6.7437 6.9206 6.9206 10.1900 10.1900 12.6238 12.6238 12.8978 12.8978 14.7788 14.7788 k = 0.0000 0.4125-0.0000 ( 3792 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4456 -32.4456 -23.9061 -23.9061 -23.7962 -23.7962 -14.3873 -14.3873 -14.2163 -14.2163 -14.1993 -14.1993 -9.8011 -9.8011 -9.2847 -9.2847 -8.3795 -8.3795 2.3041 2.3041 4.7670 4.7670 4.8832 4.8832 5.1075 5.1075 5.3512 5.3512 5.6970 5.6970 6.2229 6.2229 6.7436 6.7436 6.9204 6.9204 10.1925 10.1925 12.6842 12.6842 12.9579 12.9579 14.8854 14.8854 k = 0.0000 0.4250-0.0000 ( 3796 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4459 -32.4459 -23.9082 -23.9082 -23.7961 -23.7961 -14.3875 -14.3875 -14.2166 -14.2166 -14.1992 -14.1992 -9.7975 -9.7975 -9.2842 -9.2842 -8.3532 -8.3532 2.2428 2.2428 4.7687 4.7687 4.8718 4.8718 5.0851 5.0851 5.3358 5.3358 5.6896 5.6896 6.2161 6.2161 6.7436 6.7436 6.9203 6.9203 10.1947 10.1947 12.7375 12.7375 13.0109 13.0109 14.9923 14.9923 k = 0.0000 0.4375-0.0000 ( 3796 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4461 -32.4461 -23.9100 -23.9100 -23.7960 -23.7960 -14.3876 -14.3876 -14.2169 -14.2169 -14.1992 -14.1992 -9.7946 -9.7946 -9.2839 -9.2839 -8.3304 -8.3304 2.1903 2.1903 4.7706 4.7706 4.8619 4.8619 5.0657 5.0657 5.3229 5.3229 5.6835 5.6835 6.2104 6.2104 6.7436 6.7436 6.9202 6.9202 10.1966 10.1966 12.7832 12.7832 13.0564 13.0564 15.0994 15.0994 k = 0.0000 0.4500-0.0000 ( 3788 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4462 -32.4462 -23.9115 -23.9115 -23.7959 -23.7959 -14.3877 -14.3877 -14.2171 -14.2171 -14.1992 -14.1992 -9.7921 -9.7921 -9.2836 -9.2836 -8.3114 -8.3114 2.1467 2.1467 4.7725 4.7725 4.8537 4.8537 5.0493 5.0493 5.3124 5.3124 5.6786 5.6786 6.2056 6.2056 6.7436 6.7436 6.9202 6.9202 10.1982 10.1982 12.8212 12.8212 13.0941 13.0941 15.1212 15.1212 k = 0.0000 0.4625-0.0000 ( 3792 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4463 -32.4463 -23.9127 -23.9127 -23.7959 -23.7959 -14.3879 -14.3879 -14.2173 -14.2173 -14.1992 -14.1992 -9.7902 -9.7902 -9.2833 -9.2833 -8.2964 -8.2964 2.1125 2.1125 4.7744 4.7744 4.8472 4.8472 5.0361 5.0361 5.3043 5.3043 5.6748 5.6748 6.2018 6.2018 6.7436 6.7436 6.9201 6.9201 10.1994 10.1994 12.8510 12.8510 13.1237 13.1237 15.1219 15.1219 k = 0.0000 0.4750-0.0000 ( 3796 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4464 -32.4464 -23.9135 -23.9135 -23.7958 -23.7958 -14.3880 -14.3880 -14.2174 -14.2174 -14.1992 -14.1992 -9.7889 -9.7889 -9.2831 -9.2831 -8.2856 -8.2856 2.0880 2.0880 4.7759 4.7759 4.8425 4.8425 5.0265 5.0265 5.2985 5.2985 5.6721 5.6721 6.1991 6.1991 6.7436 6.7436 6.9201 6.9201 10.2003 10.2003 12.8724 12.8724 13.1450 13.1450 15.1224 15.1224 k = 0.0000 0.4875-0.0000 ( 3804 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4465 -32.4465 -23.9140 -23.9140 -23.7958 -23.7958 -14.3880 -14.3880 -14.2175 -14.2175 -14.1992 -14.1992 -9.7881 -9.7881 -9.2830 -9.2830 -8.2790 -8.2790 2.0731 2.0731 4.7769 4.7769 4.8397 4.8397 5.0206 5.0206 5.2951 5.2951 5.6705 5.6705 6.1975 6.1975 6.7436 6.7436 6.9201 6.9201 10.2008 10.2008 12.8853 12.8853 13.1578 13.1578 15.1227 15.1227 k = 0.0000 0.5000-0.0000 ( 3804 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4465 -32.4465 -23.9142 -23.9142 -23.7958 -23.7958 -14.3880 -14.3880 -14.2176 -14.2176 -14.1992 -14.1992 -9.7878 -9.7878 -9.2830 -9.2830 -8.2768 -8.2768 2.0682 2.0682 4.7772 4.7772 4.8387 4.8387 5.0187 5.0187 5.2939 5.2939 5.6700 5.6700 6.1969 6.1969 6.7436 6.7436 6.9201 6.9201 10.2010 10.2010 12.8896 12.8896 13.1621 13.1621 15.1228 15.1228 k = 0.0000 0.5000-0.0000 ( 3804 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4465 -32.4465 -23.9142 -23.9142 -23.7958 -23.7958 -14.3880 -14.3880 -14.2176 -14.2176 -14.1992 -14.1992 -9.7878 -9.7878 -9.2830 -9.2830 -8.2768 -8.2768 2.0682 2.0682 4.7772 4.7772 4.8387 4.8387 5.0187 5.0187 5.2939 5.2939 5.6700 5.6700 6.1969 6.1969 6.7436 6.7436 6.9201 6.9201 10.2010 10.2010 12.8896 12.8896 13.1621 13.1621 15.1228 15.1228 k = 0.0125 0.5000-0.0000 ( 3804 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4466 -32.4466 -23.9142 -23.9142 -23.7959 -23.7959 -14.3880 -14.3880 -14.2175 -14.2175 -14.1992 -14.1992 -9.7868 -9.7868 -9.2823 -9.2823 -8.2767 -8.2767 2.0682 2.0682 4.7657 4.7657 4.8287 4.8287 5.0326 5.0326 5.2964 5.2964 5.6679 5.6679 6.2003 6.2003 6.7401 6.7401 6.9157 6.9157 10.2063 10.2063 12.8903 12.8903 13.1629 13.1629 15.1282 15.1282 k = 0.0250 0.5000-0.0000 ( 3798 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4466 -32.4466 -23.9143 -23.9143 -23.7963 -23.7963 -14.3880 -14.3880 -14.2175 -14.2175 -14.1992 -14.1992 -9.7838 -9.7838 -9.2802 -9.2802 -8.2764 -8.2764 2.0683 2.0683 4.7258 4.7258 4.8173 4.8173 5.0603 5.0603 5.3048 5.3048 5.6617 5.6617 6.2104 6.2104 6.7297 6.7297 6.9029 6.9029 10.2221 10.2221 12.8923 12.8923 13.1652 13.1652 15.1442 15.1442 k = 0.0375 0.5000-0.0000 ( 3794 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4467 -32.4467 -23.9145 -23.9145 -23.7969 -23.7969 -14.3880 -14.3880 -14.2174 -14.2174 -14.1993 -14.1993 -9.7789 -9.7789 -9.2767 -9.2767 -8.2758 -8.2758 2.0685 2.0685 4.6647 4.6647 4.8129 4.8129 5.0840 5.0840 5.3208 5.3208 5.6513 5.6513 6.2272 6.2272 6.7125 6.7125 6.8823 6.8823 10.2482 10.2482 12.8956 12.8956 13.1691 13.1691 15.1698 15.1698 k = 0.0500 0.5000-0.0000 ( 3804 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4468 -32.4468 -23.9148 -23.9148 -23.7978 -23.7978 -14.3880 -14.3880 -14.2174 -14.2174 -14.1994 -14.1994 -9.7722 -9.7722 -9.2716 -9.2716 -8.2750 -8.2750 2.0687 2.0687 4.5937 4.5937 4.8113 4.8113 5.0952 5.0952 5.3451 5.3451 5.6370 5.6370 6.2508 6.2508 6.6887 6.6887 6.8550 6.8550 10.2842 10.2842 12.9002 12.9002 13.1747 13.1747 15.2036 15.2036 k = 0.0625 0.5000-0.0000 ( 3804 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4470 -32.4470 -23.9151 -23.9151 -23.7990 -23.7990 -14.3880 -14.3880 -14.2174 -14.2174 -14.1995 -14.1995 -9.7638 -9.7638 -9.2650 -9.2650 -8.2740 -8.2740 2.0689 2.0689 4.5180 4.5180 4.8109 4.8109 5.0924 5.0924 5.3756 5.3756 5.6190 5.6190 6.2810 6.2810 6.6586 6.6586 6.8224 6.8224 10.3296 10.3296 12.9058 12.9058 13.1822 13.1822 15.2435 15.2435 k = 0.0750 0.5000-0.0000 ( 3804 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4472 -32.4472 -23.9155 -23.9155 -23.8003 -23.8003 -14.3879 -14.3879 -14.2173 -14.2173 -14.1996 -14.1996 -9.7539 -9.7539 -9.2566 -9.2566 -8.2727 -8.2727 2.0693 2.0693 4.4396 4.4396 4.8109 4.8109 5.0767 5.0767 5.4086 5.4086 5.5978 5.5978 6.3176 6.3176 6.6229 6.6229 6.7859 6.7859 10.3838 10.3838 12.9124 12.9124 13.1916 13.1916 15.2872 15.2872 k = 0.0875 0.5000-0.0000 ( 3800 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4474 -32.4474 -23.9160 -23.9160 -23.8019 -23.8019 -14.3879 -14.3879 -14.2172 -14.2172 -14.1997 -14.1997 -9.7427 -9.7427 -9.2464 -9.2464 -8.2713 -8.2713 2.0697 2.0697 4.3599 4.3599 4.8112 4.8112 5.0493 5.0493 5.4410 5.4410 5.5740 5.5740 6.3602 6.3602 6.5823 6.5823 6.7470 6.7470 10.4461 10.4461 12.9199 12.9199 13.2032 13.2032 15.3324 15.3324 k = 0.1000 0.5000-0.0000 ( 3800 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4477 -32.4477 -23.9166 -23.9166 -23.8036 -23.8036 -14.3879 -14.3879 -14.2171 -14.2171 -14.1999 -14.1999 -9.7305 -9.7305 -9.2342 -9.2342 -8.2696 -8.2696 2.0701 2.0701 4.2795 4.2795 4.8116 4.8116 5.0109 5.0109 5.4700 5.4700 5.5493 5.5493 6.4080 6.4080 6.5379 6.5379 6.7068 6.7068 10.5158 10.5158 12.9279 12.9279 13.2172 13.2172 15.3772 15.3772 k = 0.1125 0.5000-0.0000 ( 3802 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4480 -32.4480 -23.9173 -23.9173 -23.8056 -23.8056 -14.3878 -14.3878 -14.2170 -14.2170 -14.2000 -14.2000 -9.7174 -9.7174 -9.2199 -9.2199 -8.2676 -8.2676 2.0706 2.0706 4.1991 4.1991 4.8122 4.8122 4.9613 4.9613 5.4886 5.4886 5.5306 5.5306 6.4600 6.4600 6.4914 6.4914 6.6664 6.6664 10.5923 10.5923 12.9365 12.9365 13.2339 13.2339 15.4203 15.4203 k = 0.1250 0.5000-0.0000 ( 3810 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4483 -32.4483 -23.9181 -23.9181 -23.8076 -23.8076 -14.3878 -14.3878 -14.2169 -14.2169 -14.2002 -14.2002 -9.7039 -9.7039 -9.2033 -9.2033 -8.2654 -8.2654 2.0712 2.0712 4.1191 4.1191 4.8126 4.8126 4.9004 4.9004 5.4777 5.4777 5.5377 5.5377 6.4427 6.4427 6.5161 6.5161 6.6269 6.6269 10.6747 10.6747 12.9452 12.9452 13.2535 13.2535 15.4614 15.4614 k = 0.1375 0.5000-0.0000 ( 3802 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4486 -32.4486 -23.9190 -23.9190 -23.8098 -23.8098 -14.3878 -14.3878 -14.2168 -14.2168 -14.2004 -14.2004 -9.6902 -9.6902 -9.1842 -9.1842 -8.2630 -8.2630 2.0718 2.0718 4.0399 4.0399 4.8104 4.8104 4.8309 4.8309 5.4517 5.4517 5.5566 5.5566 6.3949 6.3949 6.5636 6.5636 6.5985 6.5985 10.7624 10.7624 12.9541 12.9541 13.2763 13.2763 15.5008 15.5008 k = 0.1500 0.5000-0.0000 ( 3794 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4490 -32.4490 -23.9200 -23.9200 -23.8121 -23.8121 -14.3877 -14.3877 -14.2167 -14.2167 -14.2005 -14.2005 -9.6765 -9.6765 -9.1626 -9.1626 -8.2604 -8.2604 2.0724 2.0724 3.9616 3.9616 4.7423 4.7423 4.8160 4.8160 5.4235 5.4235 5.5753 5.5753 6.3481 6.3481 6.5414 6.5414 6.6430 6.6430 10.8547 10.8547 12.9628 12.9628 13.3024 13.3024 15.5387 15.5387 k = 0.1625 0.5000-0.0000 ( 3790 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4494 -32.4494 -23.9211 -23.9211 -23.8144 -23.8144 -14.3876 -14.3876 -14.2165 -14.2165 -14.2007 -14.2007 -9.6632 -9.6632 -9.1383 -9.1383 -8.2574 -8.2574 2.0731 2.0731 3.8847 3.8847 4.6482 4.6482 4.8166 4.8166 5.3949 5.3949 5.5924 5.5924 6.3030 6.3030 6.5048 6.5048 6.7045 6.7045 10.9510 10.9510 12.9713 12.9713 13.3320 13.3320 15.5754 15.5754 k = 0.1750 0.5000-0.0000 ( 3788 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4498 -32.4498 -23.9224 -23.9224 -23.8168 -23.8168 -14.3876 -14.3876 -14.2164 -14.2164 -14.2009 -14.2009 -9.6503 -9.6503 -9.1114 -9.1114 -8.2542 -8.2542 2.0738 2.0738 3.8092 3.8092 4.5443 4.5443 4.8175 4.8175 5.3665 5.3665 5.6078 5.6078 6.2600 6.2600 6.4685 6.4685 6.7676 6.7676 11.0505 11.0505 12.9795 12.9795 13.3652 13.3652 15.6114 15.6114 k = 0.1875 0.5000-0.0000 ( 3786 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4502 -32.4502 -23.9238 -23.9238 -23.8192 -23.8192 -14.3875 -14.3875 -14.2163 -14.2163 -14.2011 -14.2011 -9.6381 -9.6381 -9.0820 -9.0820 -8.2507 -8.2507 2.0746 2.0746 3.7353 3.7353 4.4320 4.4320 4.8185 4.8185 5.3383 5.3383 5.6215 5.6215 6.2193 6.2193 6.4337 6.4337 6.8308 6.8308 11.1527 11.1527 12.9873 12.9873 13.4020 13.4020 15.6468 15.6468 k = 0.2000 0.5000-0.0000 ( 3778 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4506 -32.4506 -23.9253 -23.9253 -23.8216 -23.8216 -14.3874 -14.3874 -14.2161 -14.2161 -14.2012 -14.2012 -9.6267 -9.6267 -9.0501 -9.0501 -8.2470 -8.2470 2.0753 2.0753 3.6633 3.6633 4.3129 4.3129 4.8196 4.8196 5.3103 5.3103 5.6338 5.6338 6.1809 6.1809 6.4006 6.4006 6.8936 6.8936 11.2571 11.2571 12.9947 12.9947 13.4424 13.4424 15.6816 15.6816 k = 0.2125 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4511 -32.4511 -23.9269 -23.9269 -23.8240 -23.8240 -14.3874 -14.3874 -14.2160 -14.2160 -14.2014 -14.2014 -9.6162 -9.6162 -9.0159 -9.0159 -8.2428 -8.2428 2.0761 2.0761 3.5932 3.5932 4.1882 4.1882 4.8208 4.8208 5.2824 5.2824 5.6450 5.6450 6.1446 6.1446 6.3695 6.3695 6.9552 6.9552 11.3629 11.3629 13.0017 13.0017 13.4864 13.4864 15.7159 15.7159 k = 0.2250 0.5000-0.0000 ( 3786 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4516 -32.4516 -23.9287 -23.9287 -23.8263 -23.8263 -14.3874 -14.3874 -14.2160 -14.2160 -14.2016 -14.2016 -9.6065 -9.6065 -8.9798 -8.9798 -8.2384 -8.2384 2.0769 2.0769 3.5252 3.5252 4.0596 4.0596 4.8220 4.8220 5.2544 5.2544 5.6551 5.6551 6.1105 6.1105 6.3404 6.3404 7.0153 7.0153 11.4696 11.4696 13.0084 13.0084 13.5338 13.5338 15.7496 15.7496 k = 0.2375 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4520 -32.4520 -23.9306 -23.9306 -23.8285 -23.8285 -14.3874 -14.3874 -14.2159 -14.2159 -14.2018 -14.2018 -9.5976 -9.5976 -8.9419 -8.9419 -8.2335 -8.2335 2.0777 2.0777 3.4593 3.4593 3.9284 3.9284 4.8232 4.8232 5.2266 5.2266 5.6643 5.6643 6.0783 6.0783 6.3135 6.3135 7.0736 7.0736 11.5768 11.5768 13.0148 13.0148 13.5843 13.5843 15.7827 15.7827 k = 0.2500 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4525 -32.4525 -23.9326 -23.9326 -23.8306 -23.8306 -14.3873 -14.3873 -14.2158 -14.2158 -14.2019 -14.2019 -9.5896 -9.5896 -8.9028 -8.9028 -8.2281 -8.2281 2.0785 2.0785 3.3955 3.3955 3.7959 3.7959 4.8244 4.8244 5.1987 5.1987 5.6728 5.6728 6.0480 6.0480 6.2886 6.2886 7.1298 7.1298 11.6838 11.6838 13.0209 13.0209 13.6378 13.6378 15.8150 15.8150 k = 0.2625 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4530 -32.4530 -23.9347 -23.9347 -23.8326 -23.8326 -14.3873 -14.3873 -14.2157 -14.2157 -14.2021 -14.2021 -9.5824 -9.5824 -8.8627 -8.8627 -8.2223 -8.2223 2.0793 2.0793 3.3339 3.3339 3.6634 3.6634 4.8255 4.8255 5.1710 5.1710 5.6804 5.6804 6.0195 6.0195 6.2657 6.2657 7.1837 7.1837 11.7900 11.7900 13.0268 13.0268 13.6940 13.6940 15.8464 15.8464 k = 0.2750 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4534 -32.4534 -23.9369 -23.9369 -23.8345 -23.8345 -14.3873 -14.3873 -14.2157 -14.2157 -14.2022 -14.2022 -9.5759 -9.5759 -8.8221 -8.8221 -8.2159 -8.2159 2.0801 2.0801 3.2741 3.2741 3.5323 3.5323 4.8267 4.8267 5.1435 5.1435 5.6875 5.6875 5.9928 5.9928 6.2448 6.2448 7.2350 7.2350 11.8950 11.8950 13.0326 13.0326 13.7525 13.7525 15.8769 15.8769 k = 0.2875 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4539 -32.4539 -23.9391 -23.9391 -23.8363 -23.8363 -14.3873 -14.3873 -14.2157 -14.2157 -14.2023 -14.2023 -9.5701 -9.5701 -8.7815 -8.7815 -8.2088 -8.2088 2.0808 2.0808 3.2153 3.2153 3.4044 3.4044 4.8278 4.8278 5.1164 5.1164 5.6939 5.6939 5.9678 5.9678 6.2258 6.2258 7.2836 7.2836 11.9981 11.9981 13.0382 13.0382 13.8129 13.8129 15.9062 15.9062 k = 0.3000 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4544 -32.4544 -23.9414 -23.9414 -23.8379 -23.8379 -14.3873 -14.3873 -14.2156 -14.2156 -14.2024 -14.2024 -9.5649 -9.5649 -8.7414 -8.7414 -8.2010 -8.2010 2.0816 2.0816 3.1551 3.1551 3.2833 3.2833 4.8288 4.8288 5.0899 5.0899 5.6997 5.6997 5.9444 5.9444 6.2086 6.2086 7.3294 7.3294 12.0988 12.0988 13.0439 13.0439 13.8748 13.8748 15.9343 15.9343 k = 0.3125 0.5000-0.0000 ( 3778 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4548 -32.4548 -23.9437 -23.9437 -23.8394 -23.8394 -14.3872 -14.3872 -14.2156 -14.2156 -14.2024 -14.2024 -9.5602 -9.5602 -8.7021 -8.7021 -8.1924 -8.1924 2.0823 2.0823 3.0846 3.0846 3.1788 3.1788 4.8297 4.8297 5.0640 5.0640 5.7049 5.7049 5.9227 5.9227 6.1930 6.1930 7.3723 7.3723 12.1965 12.1965 13.0496 13.0496 13.9377 13.9377 15.9611 15.9611 k = 0.3250 0.5000-0.0000 ( 3782 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4552 -32.4552 -23.9461 -23.9461 -23.8408 -23.8408 -14.3872 -14.3872 -14.2156 -14.2156 -14.2025 -14.2025 -9.5560 -9.5560 -8.6644 -8.6644 -8.1828 -8.1828 2.0830 2.0830 2.9914 2.9914 3.1040 3.1040 4.8306 4.8306 5.0389 5.0389 5.7094 5.7094 5.9026 5.9026 6.1791 6.1791 7.4123 7.4123 12.2905 12.2905 13.0554 13.0554 14.0010 14.0010 15.9864 15.9864 k = 0.3375 0.5000-0.0000 ( 3778 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4556 -32.4556 -23.9484 -23.9484 -23.8421 -23.8421 -14.3872 -14.3872 -14.2156 -14.2156 -14.2026 -14.2026 -9.5523 -9.5523 -8.6285 -8.6285 -8.1723 -8.1723 2.0837 2.0837 2.8853 2.8853 3.0500 3.0500 4.8313 4.8313 5.0150 5.0150 5.7134 5.7134 5.8843 5.8843 6.1665 6.1665 7.4494 7.4494 12.3804 12.3804 13.0616 13.0616 14.0641 14.0641 16.0103 16.0103 k = 0.3500 0.5000-0.0000 ( 3778 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4560 -32.4560 -23.9506 -23.9506 -23.8432 -23.8432 -14.3872 -14.3872 -14.2156 -14.2156 -14.2026 -14.2026 -9.5490 -9.5490 -8.5950 -8.5950 -8.1608 -8.1608 2.0843 2.0843 2.7789 2.7789 3.0050 3.0050 4.8319 4.8319 4.9922 4.9922 5.7166 5.7166 5.8677 5.8677 6.1553 6.1553 7.4835 7.4835 12.4653 12.4653 13.0682 13.0682 14.1265 14.1265 16.0325 16.0325 k = 0.3625 0.5000-0.0000 ( 3778 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4564 -32.4564 -23.9528 -23.9528 -23.8442 -23.8442 -14.3872 -14.3872 -14.2156 -14.2156 -14.2027 -14.2027 -9.5461 -9.5461 -8.5642 -8.5642 -8.1483 -8.1483 2.0849 2.0849 2.6767 2.6767 2.9651 2.9651 4.8323 4.8323 4.9709 4.9709 5.7192 5.7192 5.8528 5.8528 6.1454 6.1454 7.5148 7.5148 12.5446 12.5446 13.0754 13.0754 14.1873 14.1873 16.0531 16.0531 k = 0.3750 0.5000-0.0000 ( 3774 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4567 -32.4567 -23.9549 -23.9549 -23.8451 -23.8451 -14.3872 -14.3872 -14.2157 -14.2157 -14.2027 -14.2027 -9.5435 -9.5435 -8.5364 -8.5364 -8.1349 -8.1349 2.0855 2.0855 2.5804 2.5804 2.9293 2.9293 4.8324 4.8324 4.9512 4.9512 5.7209 5.7209 5.8398 5.8398 6.1366 6.1366 7.5430 7.5430 12.6176 12.6176 13.0835 13.0835 14.2461 14.2461 16.0721 16.0721 k = 0.3875 0.5000-0.0000 ( 3780 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4571 -32.4571 -23.9568 -23.9568 -23.8459 -23.8459 -14.3872 -14.3872 -14.2157 -14.2157 -14.2027 -14.2027 -9.5413 -9.5413 -8.5118 -8.5118 -8.1209 -8.1209 2.0860 2.0860 2.4911 2.4911 2.8971 2.8971 4.8322 4.8322 4.9333 4.9333 5.7218 5.7218 5.8287 5.8287 6.1289 6.1289 7.5684 7.5684 12.6835 12.6835 13.0926 13.0926 14.3019 14.3019 16.0893 16.0893 k = 0.4000 0.5000-0.0000 ( 3784 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4574 -32.4574 -23.9587 -23.9587 -23.8465 -23.8465 -14.3872 -14.3872 -14.2158 -14.2158 -14.2027 -14.2027 -9.5393 -9.5393 -8.4904 -8.4904 -8.1066 -8.1066 2.0864 2.0864 2.4095 2.4095 2.8683 2.8683 4.8317 4.8317 4.9174 4.9174 5.7220 5.7220 5.8194 5.8194 6.1222 6.1222 7.5910 7.5910 12.7417 12.7417 13.1031 13.1031 14.3542 14.3542 16.1047 16.1047 k = 0.4125 0.5000-0.0000 ( 3784 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4576 -32.4576 -23.9603 -23.9603 -23.8471 -23.8471 -14.3872 -14.3872 -14.2158 -14.2158 -14.2027 -14.2027 -9.5376 -9.5376 -8.4722 -8.4722 -8.0924 -8.0924 2.0868 2.0868 2.3361 2.3361 2.8430 2.8430 4.8306 4.8306 4.9037 4.9037 5.7213 5.7213 5.8120 5.8120 6.1165 6.1165 7.6108 7.6108 12.7914 12.7914 13.1151 13.1151 14.4022 14.4022 16.1184 16.1184 k = 0.4250 0.5000-0.0000 ( 3780 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4579 -32.4579 -23.9618 -23.9618 -23.8476 -23.8476 -14.3872 -14.3872 -14.2159 -14.2159 -14.2026 -14.2026 -9.5362 -9.5362 -8.4570 -8.4570 -8.0788 -8.0788 2.0872 2.0872 2.2716 2.2716 2.8211 2.8211 4.8290 4.8290 4.8924 4.8924 5.7201 5.7201 5.8062 5.8062 6.1116 6.1116 7.6279 7.6279 12.8326 12.8326 13.1284 13.1284 14.4453 14.4453 16.1303 16.1303 k = 0.4375 0.5000-0.0000 ( 3784 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4581 -32.4581 -23.9631 -23.9631 -23.8480 -23.8480 -14.3873 -14.3873 -14.2159 -14.2159 -14.2026 -14.2026 -9.5350 -9.5350 -8.4446 -8.4446 -8.0662 -8.0662 2.0875 2.0875 2.2163 2.2163 2.8025 2.8025 4.8268 4.8268 4.8835 4.8835 5.7184 5.7184 5.8019 5.8019 6.1076 6.1076 7.6422 7.6422 12.8652 12.8652 13.1426 13.1426 14.4829 14.4829 16.1404 16.1404 k = 0.4500 0.5000-0.0000 ( 3788 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4582 -32.4582 -23.9641 -23.9641 -23.8484 -23.8484 -14.3873 -14.3873 -14.2160 -14.2160 -14.2027 -14.2027 -9.5340 -9.5340 -8.4348 -8.4348 -8.0552 -8.0552 2.0877 2.0877 2.1705 2.1705 2.7873 2.7873 4.8242 4.8242 4.8768 4.8768 5.7166 5.7166 5.7988 5.7988 6.1043 6.1043 7.6538 7.6538 12.8899 12.8899 13.1566 13.1566 14.5145 14.5145 16.1486 16.1486 k = 0.4625 0.5000-0.0000 ( 3784 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4584 -32.4584 -23.9649 -23.9649 -23.8486 -23.8486 -14.3873 -14.3873 -14.2160 -14.2160 -14.2026 -14.2026 -9.5333 -9.5333 -8.4275 -8.4275 -8.0462 -8.0462 2.0878 2.0878 2.1346 2.1346 2.7755 2.7755 4.8217 4.8217 4.8722 4.8722 5.7149 5.7149 5.7967 5.7967 6.1019 6.1019 7.6629 7.6629 12.9077 12.9077 13.1693 13.1693 14.5395 14.5395 16.1550 16.1550 k = 0.4750 0.5000-0.0000 ( 3784 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4584 -32.4584 -23.9655 -23.9655 -23.8488 -23.8488 -14.3873 -14.3873 -14.2160 -14.2160 -14.2026 -14.2026 -9.5328 -9.5328 -8.4224 -8.4224 -8.0394 -8.0394 2.0878 2.0878 2.1090 2.1090 2.7671 2.7671 4.8194 4.8194 4.8693 4.8693 5.7136 5.7136 5.7954 5.7954 6.1001 6.1001 7.6693 7.6693 12.9195 12.9195 13.1794 13.1794 14.5577 14.5577 16.1596 16.1596 k = 0.4875 0.5000-0.0000 ( 3792 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4585 -32.4585 -23.9659 -23.9659 -23.8489 -23.8489 -14.3873 -14.3873 -14.2160 -14.2160 -14.2027 -14.2027 -9.5325 -9.5325 -8.4193 -8.4193 -8.0353 -8.0353 2.0871 2.0871 2.0942 2.0942 2.7620 2.7620 4.8179 4.8179 4.8677 4.8677 5.7127 5.7127 5.7946 5.7946 6.0990 6.0990 7.6732 7.6732 12.9262 12.9262 13.1859 13.1859 14.5687 14.5687 16.1624 16.1624 k = 0.5000 0.5000-0.0000 ( 3836 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4586 -32.4586 -23.9661 -23.9661 -23.8490 -23.8490 -14.3875 -14.3875 -14.2162 -14.2162 -14.2028 -14.2028 -9.5324 -9.5324 -8.4184 -8.4184 -8.0339 -8.0339 2.0855 2.0855 2.0905 2.0905 2.7602 2.7602 4.8174 4.8174 4.8671 4.8671 5.7123 5.7123 5.7943 5.7943 6.0986 6.0986 7.6744 7.6744 12.9284 12.9284 13.1881 13.1881 14.5724 14.5724 16.1633 16.1633 k = 0.5000 0.5000-0.0000 ( 3836 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4586 -32.4586 -23.9661 -23.9661 -23.8490 -23.8490 -14.3875 -14.3875 -14.2162 -14.2162 -14.2028 -14.2028 -9.5324 -9.5324 -8.4184 -8.4184 -8.0339 -8.0339 2.0855 2.0855 2.0905 2.0905 2.7602 2.7602 4.8174 4.8174 4.8671 4.8671 5.7123 5.7123 5.7943 5.7943 6.0986 6.0986 7.6744 7.6744 12.9284 12.9284 13.1881 13.1881 14.5724 14.5724 16.1633 16.1633 k = 0.4912 0.4912-0.0000 ( 3788 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4585 -32.4585 -23.9659 -23.9659 -23.8489 -23.8489 -14.3873 -14.3873 -14.2160 -14.2160 -14.2027 -14.2027 -9.5325 -9.5325 -8.4193 -8.4193 -8.0353 -8.0353 2.0882 2.0882 2.0930 2.0930 2.7620 2.7620 4.8179 4.8179 4.8677 4.8677 5.7127 5.7127 5.7947 5.7947 6.0990 6.0990 7.6732 7.6732 12.9263 12.9263 13.1859 13.1859 14.5688 14.5688 16.1624 16.1624 k = 0.4825 0.4825-0.0000 ( 3784 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4584 -32.4584 -23.9656 -23.9656 -23.8488 -23.8488 -14.3873 -14.3873 -14.2160 -14.2160 -14.2026 -14.2026 -9.5328 -9.5328 -8.4223 -8.4223 -8.0394 -8.0394 2.0960 2.0960 2.1004 2.1004 2.7670 2.7670 4.8195 4.8195 4.8692 4.8692 5.7136 5.7136 5.7953 5.7953 6.1001 6.1001 7.6694 7.6694 12.9199 12.9199 13.1793 13.1793 14.5579 14.5579 16.1596 16.1596 k = 0.4737 0.4737-0.0000 ( 3784 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4584 -32.4584 -23.9650 -23.9650 -23.8486 -23.8486 -14.3873 -14.3873 -14.2160 -14.2160 -14.2026 -14.2026 -9.5333 -9.5333 -8.4271 -8.4271 -8.0463 -8.0463 2.1081 2.1081 2.1138 2.1138 2.7753 2.7753 4.8219 4.8219 4.8719 4.8719 5.7151 5.7151 5.7965 5.7965 6.1018 6.1018 7.6631 7.6631 12.9092 12.9092 13.1682 13.1682 14.5398 14.5398 16.1549 16.1549 k = 0.4649 0.4649-0.0000 ( 3784 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4582 -32.4582 -23.9641 -23.9641 -23.8484 -23.8484 -14.3873 -14.3873 -14.2159 -14.2159 -14.2026 -14.2026 -9.5340 -9.5340 -8.4339 -8.4339 -8.0558 -8.0558 2.1240 2.1240 2.1333 2.1333 2.7870 2.7870 4.8251 4.8251 4.8759 4.8759 5.7172 5.7172 5.7981 5.7981 6.1042 6.1042 7.6544 7.6544 12.8944 12.8944 13.1529 13.1529 14.5147 14.5147 16.1479 16.1479 k = 0.4561 0.4561-0.0000 ( 3786 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4581 -32.4581 -23.9630 -23.9630 -23.8481 -23.8481 -14.3873 -14.3873 -14.2159 -14.2159 -14.2027 -14.2027 -9.5350 -9.5350 -8.4426 -8.4426 -8.0679 -8.0679 2.1438 2.1438 2.1587 2.1587 2.8020 2.8020 4.8287 4.8287 4.8814 4.8814 5.7200 5.7200 5.8002 5.8002 6.1073 6.1073 7.6433 7.6433 12.8753 12.8753 13.1332 13.1332 14.4826 14.4826 16.1383 16.1383 k = 0.4474 0.4474-0.0000 ( 3784 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4579 -32.4579 -23.9617 -23.9617 -23.8477 -23.8477 -14.3872 -14.3872 -14.2159 -14.2159 -14.2027 -14.2027 -9.5361 -9.5361 -8.4532 -8.4532 -8.0826 -8.0826 2.1678 2.1678 2.1897 2.1897 2.8204 2.8204 4.8327 4.8327 4.8886 4.8886 5.7233 5.7233 5.8028 5.8028 6.1111 6.1111 7.6298 7.6298 12.8521 12.8521 13.1094 13.1094 14.4438 14.4438 16.1257 16.1257 k = 0.4386 0.4386-0.0000 ( 3792 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4577 -32.4577 -23.9602 -23.9602 -23.8473 -23.8473 -14.3873 -14.3873 -14.2159 -14.2159 -14.2027 -14.2027 -9.5376 -9.5376 -8.4656 -8.4656 -8.0997 -8.0997 2.1959 2.1959 2.2260 2.2260 2.8422 2.8422 4.8368 4.8368 4.8978 4.8978 5.7273 5.7273 5.8059 5.8059 6.1156 6.1156 7.6140 7.6140 12.8249 12.8249 13.0816 13.0816 14.3985 14.3985 16.1093 16.1093 k = 0.4298 0.4298-0.0000 ( 3786 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4574 -32.4574 -23.9584 -23.9584 -23.8468 -23.8468 -14.3872 -14.3872 -14.2158 -14.2158 -14.2027 -14.2027 -9.5392 -9.5392 -8.4797 -8.4797 -8.1191 -8.1191 2.2279 2.2279 2.2676 2.2676 2.8675 2.8675 4.8408 4.8408 4.9090 4.9090 5.7319 5.7319 5.8094 5.8094 6.1208 6.1208 7.5961 7.5961 12.7937 12.7937 13.0497 13.0497 14.3470 14.3470 16.0884 16.0884 k = 0.4211 0.4211-0.0000 ( 3786 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4571 -32.4571 -23.9565 -23.9565 -23.8462 -23.8462 -14.3872 -14.3872 -14.2157 -14.2157 -14.2027 -14.2027 -9.5412 -9.5412 -8.4956 -8.4956 -8.1407 -8.1407 2.2639 2.2639 2.3143 2.3143 2.8962 2.8962 4.8448 4.8448 4.9222 4.9222 5.7371 5.7371 5.8135 5.8135 6.1267 6.1267 7.5761 7.5761 12.7586 12.7586 13.0141 13.0141 14.2895 14.2895 16.0619 16.0619 k = 0.4123 0.4123-0.0000 ( 3798 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4568 -32.4568 -23.9543 -23.9543 -23.8456 -23.8456 -14.3872 -14.3872 -14.2157 -14.2157 -14.2028 -14.2028 -9.5434 -9.5434 -8.5131 -8.5131 -8.1644 -8.1644 2.3036 2.3036 2.3658 2.3658 2.9284 2.9284 4.8487 4.8487 4.9375 4.9375 5.7430 5.7430 5.8180 5.8180 6.1333 6.1333 7.5541 7.5541 12.7197 12.7197 12.9748 12.9748 14.2265 14.2265 16.0288 16.0288 k = 0.4035 0.4035-0.0000 ( 3802 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4564 -32.4564 -23.9519 -23.9519 -23.8449 -23.8449 -14.3872 -14.3872 -14.2156 -14.2156 -14.2028 -14.2028 -9.5460 -9.5460 -8.5322 -8.5322 -8.1900 -8.1900 2.3469 2.3469 2.4219 2.4219 2.9641 2.9641 4.8526 4.8526 4.9547 4.9547 5.7495 5.7495 5.8231 5.8231 6.1406 6.1406 7.5302 7.5302 12.6771 12.6771 12.9320 12.9320 14.1582 14.1582 15.9881 15.9881 k = 0.3947 0.3947-0.0000 ( 3798 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4560 -32.4560 -23.9493 -23.9493 -23.8441 -23.8441 -14.3872 -14.3872 -14.2154 -14.2154 -14.2028 -14.2028 -9.5488 -9.5488 -8.5527 -8.5527 -8.2173 -8.2173 2.3936 2.3936 2.4825 2.4825 3.0036 3.0036 4.8566 4.8566 4.9739 4.9739 5.7566 5.7566 5.8288 5.8288 6.1487 6.1487 7.5047 7.5047 12.6310 12.6310 12.8858 12.8858 14.0851 14.0851 15.9394 15.9394 k = 0.3860 0.3860-0.0000 ( 3790 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4556 -32.4556 -23.9465 -23.9465 -23.8433 -23.8433 -14.3871 -14.3871 -14.2153 -14.2153 -14.2028 -14.2028 -9.5521 -9.5521 -8.5747 -8.5747 -8.2461 -8.2461 2.4436 2.4436 2.5471 2.5471 3.0467 3.0467 4.8607 4.8607 4.9949 4.9949 5.7645 5.7645 5.8349 5.8349 6.1576 6.1576 7.4776 7.4776 12.5814 12.5814 12.8365 12.8365 14.0076 14.0076 15.8827 15.8827 k = 0.3772 0.3772-0.0000 ( 3790 PWs) bands (ev): -59.5234 -59.5234 -42.3423 -42.3423 -32.4551 -32.4551 -23.9435 -23.9435 -23.8425 -23.8425 -14.3870 -14.3870 -14.2151 -14.2151 -14.2028 -14.2028 -9.5557 -9.5557 -8.5979 -8.5979 -8.2765 -8.2765 2.4966 2.4966 2.6156 2.6156 3.0937 3.0937 4.8649 4.8649 5.0177 5.0177 5.7729 5.7729 5.8416 5.8416 6.1672 6.1672 7.4490 7.4490 12.5287 12.5287 12.7840 12.7840 13.9259 13.9259 15.8186 15.8186 k = 0.3684 0.3684-0.0000 ( 3790 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4546 -32.4546 -23.9403 -23.9403 -23.8415 -23.8415 -14.3870 -14.3870 -14.2150 -14.2150 -14.2028 -14.2028 -9.5597 -9.5597 -8.6224 -8.6224 -8.3080 -8.3080 2.5524 2.5524 2.6877 2.6877 3.1446 3.1446 4.8693 4.8693 5.0422 5.0422 5.7821 5.7821 5.8489 5.8489 6.1775 6.1775 7.4191 7.4191 12.4728 12.4728 12.7287 12.7287 13.8406 13.8406 15.7478 15.7478 k = 0.3596 0.3596-0.0000 ( 3796 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4542 -32.4542 -23.9370 -23.9370 -23.8406 -23.8406 -14.3869 -14.3869 -14.2148 -14.2148 -14.2028 -14.2028 -9.5642 -9.5642 -8.6480 -8.6480 -8.3406 -8.3406 2.6108 2.6108 2.7629 2.7629 3.1995 3.1995 4.8738 4.8738 5.0684 5.0684 5.7919 5.7919 5.8568 5.8568 6.1886 6.1886 7.3881 7.3881 12.4141 12.4141 12.6706 12.6706 13.7520 13.7520 15.6715 15.6715 k = 0.3509 0.3509-0.0000 ( 3792 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4536 -32.4536 -23.9335 -23.9335 -23.8396 -23.8396 -14.3869 -14.3869 -14.2146 -14.2146 -14.2028 -14.2028 -9.5692 -9.5692 -8.6746 -8.6746 -8.3741 -8.3741 2.6715 2.6715 2.8410 2.8410 3.2587 3.2587 4.8786 4.8786 5.0963 5.0963 5.8025 5.8025 5.8652 5.8652 6.2005 6.2005 7.3561 7.3561 12.3527 12.3527 12.6100 12.6100 13.6605 13.6605 15.5905 15.5905 k = 0.3421 0.3421-0.0000 ( 3782 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4531 -32.4531 -23.9299 -23.9299 -23.8385 -23.8385 -14.3867 -14.3867 -14.2144 -14.2144 -14.2028 -14.2028 -9.5748 -9.5748 -8.7020 -8.7020 -8.4084 -8.4084 2.7342 2.7342 2.9216 2.9216 3.3223 3.3223 4.8836 4.8836 5.1257 5.1257 5.8138 5.8138 5.8743 5.8743 6.2132 6.2132 7.3233 7.3233 12.2887 12.2887 12.5469 12.5469 13.5664 13.5664 15.5055 15.5055 k = 0.3333 0.3333-0.0000 ( 3790 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4525 -32.4525 -23.9261 -23.9261 -23.8375 -23.8375 -14.3867 -14.3867 -14.2142 -14.2142 -14.2028 -14.2028 -9.5809 -9.5809 -8.7302 -8.7302 -8.4432 -8.4432 2.7987 2.7987 3.0042 3.0042 3.3903 3.3903 4.8889 4.8889 5.1567 5.1567 5.8258 5.8258 5.8840 5.8840 6.2266 6.2266 7.2898 7.2898 12.2224 12.2224 12.4816 12.4816 13.4701 13.4701 15.4173 15.4173 k = 0.3246 0.3246-0.0000 ( 3772 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4519 -32.4519 -23.9222 -23.9222 -23.8363 -23.8363 -14.3865 -14.3865 -14.2139 -14.2139 -14.2027 -14.2027 -9.5877 -9.5877 -8.7589 -8.7589 -8.4784 -8.4784 2.8647 2.8647 3.0886 3.0886 3.4630 3.4630 4.8944 4.8944 5.1893 5.1893 5.8386 5.8386 5.8944 5.8944 6.2409 6.2409 7.2559 7.2559 12.1540 12.1540 12.4141 12.4141 13.3718 13.3718 15.3262 15.3262 k = 0.3158 0.3158-0.0000 ( 3774 PWs) bands (ev): -59.5237 -59.5237 -42.3423 -42.3423 -32.4513 -32.4513 -23.9181 -23.9181 -23.8352 -23.8352 -14.3864 -14.3864 -14.2137 -14.2137 -14.2027 -14.2027 -9.5951 -9.5951 -8.7880 -8.7880 -8.5139 -8.5139 2.9320 2.9320 3.1743 3.1743 3.5404 3.5404 4.9003 4.9003 5.2233 5.2233 5.8522 5.8522 5.9054 5.9054 6.2559 6.2559 7.2216 7.2216 12.0837 12.0837 12.3447 12.3447 13.2718 13.2718 15.2328 15.2328 k = 0.3070 0.3070-0.0000 ( 3780 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4507 -32.4507 -23.9140 -23.9140 -23.8340 -23.8340 -14.3863 -14.3863 -14.2134 -14.2134 -14.2027 -14.2027 -9.6033 -9.6033 -8.8174 -8.8174 -8.5495 -8.5495 3.0001 3.0001 3.2610 3.2610 3.6224 3.6224 4.9064 4.9064 5.2587 5.2587 5.8665 5.8665 5.9172 5.9172 6.2717 6.2717 7.1871 7.1871 12.0116 12.0116 12.2734 12.2734 13.1705 13.1705 15.1373 15.1373 k = 0.2982 0.2982-0.0000 ( 3780 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4500 -32.4500 -23.9098 -23.9098 -23.8328 -23.8328 -14.3861 -14.3861 -14.2131 -14.2131 -14.2026 -14.2026 -9.6123 -9.6123 -8.8469 -8.8469 -8.5850 -8.5850 3.0690 3.0690 3.3485 3.3485 3.7090 3.7090 4.9129 4.9129 5.2955 5.2955 5.8815 5.8815 5.9298 5.9298 6.2883 6.2883 7.1525 7.1525 11.9381 11.9381 12.2005 12.2005 13.0680 13.0680 15.0401 15.0401 k = 0.2895 0.2895-0.0000 ( 3776 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4494 -32.4494 -23.9055 -23.9055 -23.8315 -23.8315 -14.3859 -14.3859 -14.2128 -14.2128 -14.2026 -14.2026 -9.6222 -9.6222 -8.8763 -8.8763 -8.6205 -8.6205 3.1384 3.1384 3.4365 3.4365 3.7999 3.7999 4.9197 4.9197 5.3336 5.3336 5.8973 5.8973 5.9432 5.9432 6.3056 6.3056 7.1182 7.1182 11.8632 11.8632 12.1260 12.1260 12.9647 12.9647 14.9414 14.9414 k = 0.2807 0.2807-0.0000 ( 3778 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4488 -32.4488 -23.9011 -23.9011 -23.8303 -23.8303 -14.3858 -14.3858 -14.2124 -14.2124 -14.2025 -14.2025 -9.6330 -9.6330 -8.9055 -8.9055 -8.6557 -8.6557 3.2080 3.2080 3.5249 3.5249 3.8950 3.8950 4.9270 4.9270 5.3729 5.3729 5.9139 5.9139 5.9576 5.9576 6.3237 6.3237 7.0841 7.0841 11.7873 11.7873 12.0502 12.0502 12.8606 12.8606 14.8414 14.8414 k = 0.2719 0.2719-0.0000 ( 3784 PWs) bands (ev): -59.5239 -59.5239 -42.3424 -42.3424 -32.4481 -32.4481 -23.8967 -23.8967 -23.8290 -23.8290 -14.3856 -14.3856 -14.2121 -14.2121 -14.2025 -14.2025 -9.6447 -9.6447 -8.9342 -8.9342 -8.6906 -8.6906 3.2775 3.2775 3.6135 3.6135 3.9938 3.9938 4.9347 4.9347 5.4135 5.4135 5.9312 5.9312 5.9731 5.9731 6.3426 6.3426 7.0504 7.0504 11.7105 11.7105 11.9732 11.9732 12.7559 12.7559 14.7406 14.7406 k = 0.2632 0.2632-0.0000 ( 3784 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4474 -32.4474 -23.8922 -23.8922 -23.8277 -23.8277 -14.3854 -14.3854 -14.2117 -14.2117 -14.2024 -14.2024 -9.6574 -9.6574 -8.9622 -8.9622 -8.7250 -8.7250 3.3469 3.3469 3.7021 3.7021 4.0959 4.0959 4.9430 4.9430 5.4552 5.4552 5.9492 5.9492 5.9897 5.9897 6.3623 6.3623 7.0174 7.0174 11.6329 11.6329 11.8951 11.8951 12.6509 12.6509 14.6390 14.6390 k = 0.2544 0.2544-0.0000 ( 3784 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4468 -32.4468 -23.8877 -23.8877 -23.8265 -23.8265 -14.3852 -14.3852 -14.2113 -14.2113 -14.2024 -14.2024 -9.6712 -9.6712 -8.9895 -8.9895 -8.7590 -8.7590 3.4158 3.4158 3.7906 3.7906 4.2009 4.2009 4.9518 4.9518 5.4980 5.4980 5.9680 5.9680 6.0075 6.0075 6.3827 6.3827 6.9850 6.9850 11.5549 11.5549 11.8161 11.8161 12.5458 12.5458 14.5369 14.5369 k = 0.2456 0.2456-0.0000 ( 3788 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4461 -32.4461 -23.8832 -23.8832 -23.8252 -23.8252 -14.3850 -14.3850 -14.2109 -14.2109 -14.2023 -14.2023 -9.6860 -9.6860 -9.0158 -9.0158 -8.7923 -8.7923 3.4842 3.4842 3.8788 3.8788 4.3082 4.3082 4.9613 4.9613 5.5417 5.5417 5.9876 5.9876 6.0267 6.0267 6.4038 6.4038 6.9535 6.9535 11.4766 11.4766 11.7363 11.7363 12.4405 12.4405 14.4347 14.4347 k = 0.2368 0.2368-0.0000 ( 3792 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4455 -32.4455 -23.8787 -23.8787 -23.8239 -23.8239 -14.3848 -14.3848 -14.2105 -14.2105 -14.2022 -14.2022 -9.7018 -9.7018 -9.0410 -9.0410 -8.8250 -8.8250 3.5517 3.5517 3.9665 3.9665 4.4172 4.4172 4.9717 4.9717 5.5864 5.5864 6.0081 6.0081 6.0472 6.0472 6.4255 6.4255 6.9230 6.9230 11.3981 11.3981 11.6560 11.6560 12.3354 12.3354 14.3324 14.3324 k = 0.2281 0.2281-0.0000 ( 3782 PWs) bands (ev): -59.5241 -59.5241 -42.3425 -42.3425 -32.4448 -32.4448 -23.8741 -23.8741 -23.8226 -23.8226 -14.3845 -14.3845 -14.2100 -14.2100 -14.2021 -14.2021 -9.7186 -9.7186 -9.0650 -9.0650 -8.8570 -8.8570 3.6182 3.6182 4.0533 4.0533 4.5274 4.5274 4.9831 4.9831 5.6319 5.6319 6.0296 6.0296 6.0693 6.0693 6.4480 6.4480 6.8936 6.8936 11.3198 11.3198 11.5752 11.5752 12.2305 12.2305 14.2304 14.2304 k = 0.2193 0.2193-0.0000 ( 3780 PWs) bands (ev): -59.5241 -59.5241 -42.3425 -42.3425 -32.4441 -32.4441 -23.8697 -23.8697 -23.8213 -23.8213 -14.3842 -14.3842 -14.2095 -14.2095 -14.2020 -14.2020 -9.7365 -9.7365 -9.0877 -9.0877 -8.8882 -8.8882 3.6834 3.6834 4.1389 4.1389 4.6378 4.6378 4.9962 4.9962 5.6781 5.6781 6.0522 6.0522 6.0927 6.0927 6.4711 6.4711 6.8653 6.8653 11.2417 11.2417 11.4942 11.4942 12.1259 12.1259 14.1290 14.1290 k = 0.2105 0.2105-0.0000 ( 3780 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4435 -32.4435 -23.8652 -23.8652 -23.8200 -23.8200 -14.3840 -14.3840 -14.2090 -14.2090 -14.2019 -14.2019 -9.7552 -9.7552 -9.1091 -9.1091 -8.9185 -8.9185 3.7472 3.7472 4.2230 4.2230 4.7469 4.7469 5.0120 5.0120 5.7250 5.7250 6.0762 6.0762 6.1176 6.1176 6.4948 6.4948 6.8384 6.8384 11.1641 11.1641 11.4131 11.4131 12.0219 12.0219 14.0283 14.0283 k = 0.2018 0.2018-0.0000 ( 3788 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4428 -32.4428 -23.8608 -23.8608 -23.8188 -23.8188 -14.3837 -14.3837 -14.2086 -14.2086 -14.2019 -14.2019 -9.7746 -9.7746 -9.1291 -9.1291 -8.9481 -8.9481 3.8092 3.8092 4.3051 4.3051 4.8510 4.8510 5.0339 5.0339 5.7723 5.7723 6.1017 6.1017 6.1439 6.1439 6.5190 6.5190 6.8127 6.8127 11.0871 11.0871 11.3320 11.3320 11.9185 11.9185 13.9287 13.9287 k = 0.1930 0.1930-0.0000 ( 3794 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4422 -32.4422 -23.8565 -23.8565 -23.8176 -23.8176 -14.3835 -14.3835 -14.2081 -14.2081 -14.2018 -14.2018 -9.7948 -9.7948 -9.1477 -9.1477 -8.9767 -8.9767 3.8692 3.8692 4.3849 4.3849 4.9387 4.9387 5.0729 5.0729 5.8201 5.8201 6.1290 6.1290 6.1716 6.1716 6.5437 6.5437 6.7885 6.7885 11.0109 11.0109 11.2511 11.2511 11.8159 11.8159 13.8304 13.8304 k = 0.1842 0.1842-0.0000 ( 3798 PWs) bands (ev): -59.5243 -59.5243 -42.3426 -42.3426 -32.4416 -32.4416 -23.8523 -23.8523 -23.8163 -23.8163 -14.3832 -14.3832 -14.2076 -14.2076 -14.2017 -14.2017 -9.8155 -9.8155 -9.1649 -9.1649 -9.0043 -9.0043 3.9270 3.9270 4.4619 4.4619 4.9928 4.9928 5.1457 5.1457 5.8681 5.8681 6.1582 6.1582 6.2008 6.2008 6.5689 6.5689 6.7659 6.7659 10.9357 10.9357 11.1707 11.1707 11.7143 11.7143 13.7337 13.7337 k = 0.1754 0.1754-0.0000 ( 3798 PWs) bands (ev): -59.5243 -59.5243 -42.3426 -42.3426 -32.4410 -32.4410 -23.8481 -23.8481 -23.8152 -23.8152 -14.3829 -14.3829 -14.2071 -14.2071 -14.2016 -14.2016 -9.8366 -9.8366 -9.1808 -9.1808 -9.0309 -9.0309 3.9823 3.9823 4.5358 4.5358 5.0220 5.0220 5.2433 5.2433 5.9162 5.9162 6.1894 6.1894 6.2315 6.2315 6.5945 6.5945 6.7447 6.7447 10.8617 10.8617 11.0907 11.0907 11.6139 11.6139 13.6388 13.6388 k = 0.1667 0.1667-0.0000 ( 3796 PWs) bands (ev): -59.5243 -59.5243 -42.3427 -42.3427 -32.4404 -32.4404 -23.8441 -23.8441 -23.8140 -23.8140 -14.3826 -14.3826 -14.2066 -14.2066 -14.2015 -14.2015 -9.8578 -9.8578 -9.1953 -9.1953 -9.0565 -9.0565 4.0349 4.0349 4.6063 4.6063 5.0426 5.0426 5.3488 5.3488 5.9643 5.9643 6.2224 6.2224 6.2639 6.2639 6.6204 6.6204 6.7252 6.7252 10.7891 10.7891 11.0115 11.0115 11.5148 11.5148 13.5462 13.5462 k = 0.1579 0.1579-0.0000 ( 3795 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4399 -32.4399 -23.8402 -23.8402 -23.8129 -23.8129 -14.3824 -14.3824 -14.2061 -14.2061 -14.2014 -14.2014 -9.8792 -9.8792 -9.2087 -9.2087 -9.0810 -9.0810 4.0846 4.0846 4.6730 4.6730 5.0603 5.0603 5.4560 5.4560 6.0122 6.0122 6.2570 6.2570 6.2982 6.2982 6.6465 6.6465 6.7072 6.7072 10.7181 10.7181 10.9331 10.9331 11.4175 11.4175 13.4559 13.4559 k = 0.1491 0.1491-0.0000 ( 3797 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4393 -32.4393 -23.8364 -23.8364 -23.8118 -23.8118 -14.3821 -14.3821 -14.2055 -14.2055 -14.2013 -14.2013 -9.9003 -9.9003 -9.2209 -9.2209 -9.1045 -9.1045 4.1311 4.1311 4.7356 4.7356 5.0769 5.0769 5.5625 5.5625 6.0597 6.0597 6.2926 6.2926 6.3348 6.3348 6.6728 6.6728 6.6909 6.6909 10.6488 10.6488 10.8557 10.8557 11.3220 11.3220 13.3684 13.3684 k = 0.1404 0.1404-0.0000 ( 3801 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4388 -32.4388 -23.8328 -23.8328 -23.8108 -23.8108 -14.3818 -14.3818 -14.2051 -14.2051 -14.2012 -14.2012 -9.9212 -9.9212 -9.2320 -9.2320 -9.1267 -9.1267 4.1743 4.1743 4.7942 4.7942 5.0929 5.0929 5.6672 5.6672 6.1067 6.1067 6.3286 6.3286 6.3741 6.3741 6.6762 6.6762 6.6994 6.6994 10.5815 10.5815 10.7795 10.7795 11.2289 11.2289 13.2839 13.2839 k = 0.1316 0.1316-0.0000 ( 3803 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4383 -32.4383 -23.8293 -23.8293 -23.8098 -23.8098 -14.3816 -14.3816 -14.2046 -14.2046 -14.2011 -14.2011 -9.9417 -9.9417 -9.2421 -9.2421 -9.1478 -9.1478 4.2142 4.2142 4.8486 4.8486 5.1083 5.1083 5.7693 5.7693 6.1528 6.1528 6.3645 6.3645 6.4162 6.4162 6.6634 6.6634 6.7258 6.7258 10.5164 10.5164 10.7045 10.7045 11.1384 11.1384 13.2027 13.2027 k = 0.1228 0.1228-0.0000 ( 3807 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4378 -32.4378 -23.8260 -23.8260 -23.8088 -23.8088 -14.3813 -14.3813 -14.2041 -14.2041 -14.2010 -14.2010 -9.9615 -9.9615 -9.2512 -9.2512 -9.1677 -9.1677 4.2507 4.2507 4.8989 4.8989 5.1232 5.1232 5.8680 5.8680 6.1979 6.1979 6.3999 6.3999 6.4604 6.4604 6.6528 6.6528 6.7522 6.7522 10.4538 10.4538 10.6310 10.6310 11.0510 11.0510 13.1251 13.1251 k = 0.1140 0.1140-0.0000 ( 3807 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4374 -32.4374 -23.8228 -23.8228 -23.8080 -23.8080 -14.3811 -14.3811 -14.2036 -14.2036 -14.2009 -14.2009 -9.9805 -9.9805 -9.2594 -9.2594 -9.1863 -9.1863 4.2838 4.2838 4.9452 4.9452 5.1373 5.1373 5.9625 5.9625 6.2417 6.2417 6.4348 6.4348 6.5056 6.5056 6.6451 6.6451 6.7784 6.7784 10.3937 10.3937 10.5590 10.5590 10.9672 10.9672 13.0513 13.0513 k = 0.1053 0.1053-0.0000 ( 3811 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4370 -32.4370 -23.8199 -23.8199 -23.8071 -23.8071 -14.3808 -14.3808 -14.2032 -14.2032 -14.2008 -14.2008 -9.9987 -9.9987 -9.2668 -9.2668 -9.2036 -9.2036 4.3135 4.3135 4.9875 4.9875 5.1506 5.1506 6.0521 6.0521 6.2840 6.2840 6.4689 6.4689 6.5484 6.5484 6.6430 6.6430 6.8043 6.8043 10.3365 10.3365 10.4889 10.4889 10.8875 10.8875 12.9817 12.9817 k = 0.0965 0.0965-0.0000 ( 3807 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4366 -32.4366 -23.8171 -23.8171 -23.8063 -23.8063 -14.3806 -14.3806 -14.2028 -14.2028 -14.2007 -14.2007 -10.0158 -10.0158 -9.2735 -9.2735 -9.2197 -9.2197 4.3401 4.3401 5.0261 5.0261 5.1630 5.1630 6.1362 6.1362 6.3245 6.3245 6.5020 6.5020 6.5799 6.5799 6.6550 6.6550 6.8298 6.8298 10.2825 10.2825 10.4208 10.4208 10.8124 10.8124 12.9165 12.9165 k = 0.0877 0.0877-0.0000 ( 3815 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4362 -32.4362 -23.8146 -23.8146 -23.8056 -23.8056 -14.3804 -14.3804 -14.2024 -14.2024 -14.2007 -14.2007 -10.0319 -10.0319 -9.2794 -9.2794 -9.2345 -9.2345 4.3636 4.3636 5.0610 5.0610 5.1742 5.1742 6.2137 6.2137 6.3628 6.3628 6.5333 6.5333 6.5925 6.5925 6.6882 6.6882 6.8548 6.8548 10.2318 10.2318 10.3550 10.3550 10.7424 10.7424 12.8559 12.8559 k = 0.0789 0.0789-0.0000 ( 3815 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4359 -32.4359 -23.8123 -23.8123 -23.8050 -23.8050 -14.3802 -14.3802 -14.2020 -14.2020 -14.2006 -14.2006 -10.0466 -10.0466 -9.2846 -9.2846 -9.2479 -9.2479 4.3842 4.3842 5.0924 5.0924 5.1844 5.1844 6.2841 6.2841 6.3988 6.3988 6.5601 6.5601 6.5982 6.5982 6.7327 6.7327 6.8790 6.8790 10.1848 10.1848 10.2920 10.2920 10.6780 10.6780 12.8002 12.8002 k = 0.0702 0.0702-0.0000 ( 3811 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4356 -32.4356 -23.8102 -23.8102 -23.8043 -23.8043 -14.3800 -14.3800 -14.2016 -14.2016 -14.2005 -14.2005 -10.0601 -10.0601 -9.2892 -9.2892 -9.2599 -9.2599 4.4020 4.4020 5.1203 5.1203 5.1933 5.1933 6.3466 6.3466 6.4321 6.4321 6.5741 6.5741 6.6127 6.6127 6.7797 6.7797 6.9022 6.9022 10.1418 10.1418 10.2324 10.2324 10.6196 10.6196 12.7496 12.7496 k = 0.0614 0.0614-0.0000 ( 3811 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4353 -32.4353 -23.8083 -23.8083 -23.8038 -23.8038 -14.3798 -14.3798 -14.2013 -14.2013 -14.2004 -14.2004 -10.0722 -10.0722 -9.2932 -9.2932 -9.2706 -9.2706 4.4173 4.4173 5.1449 5.1449 5.2011 5.2011 6.4008 6.4008 6.4623 6.4623 6.5761 6.5761 6.6370 6.6370 6.8258 6.8258 6.9242 6.9242 10.1029 10.1029 10.1768 10.1768 10.5675 10.5675 12.7045 12.7045 k = 0.0526 0.0526-0.0000 ( 3807 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4351 -32.4351 -23.8066 -23.8066 -23.8033 -23.8033 -14.3796 -14.3796 -14.2010 -14.2010 -14.2004 -14.2004 -10.0827 -10.0827 -9.2966 -9.2966 -9.2799 -9.2799 4.4301 4.4301 5.1662 5.1662 5.2077 5.2077 6.4466 6.4466 6.4893 6.4893 6.5749 6.5749 6.6626 6.6626 6.8694 6.8694 6.9446 6.9446 10.0686 10.0686 10.1260 10.1260 10.5220 10.5220 12.6649 12.6649 k = 0.0439 0.0439-0.0000 ( 3807 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4348 -32.4348 -23.8053 -23.8053 -23.8029 -23.8029 -14.3795 -14.3795 -14.2008 -14.2008 -14.2003 -14.2003 -10.0918 -10.0918 -9.2995 -9.2995 -9.2878 -9.2878 4.4407 4.4407 5.1842 5.1842 5.2131 5.2131 6.4841 6.4841 6.5128 6.5128 6.5732 6.5732 6.6865 6.6865 6.9091 6.9091 6.9630 6.9630 10.0390 10.0390 10.0808 10.0808 10.4833 10.4833 12.6310 12.6310 k = 0.0351 0.0351-0.0000 ( 3807 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4347 -32.4347 -23.8041 -23.8041 -23.8026 -23.8026 -14.3794 -14.3794 -14.2006 -14.2006 -14.2003 -14.2003 -10.0993 -10.0993 -9.3018 -9.3018 -9.2943 -9.2943 4.4492 4.4492 5.1989 5.1989 5.2175 5.2175 6.5135 6.5135 6.5323 6.5323 6.5720 6.5720 6.7073 6.7073 6.9435 6.9435 6.9790 6.9790 10.0144 10.0144 10.0423 10.0423 10.4515 10.4515 12.6031 12.6031 k = 0.0263 0.0263-0.0000 ( 3807 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4346 -32.4346 -23.8032 -23.8032 -23.8024 -23.8024 -14.3793 -14.3793 -14.2004 -14.2004 -14.2002 -14.2002 -10.1051 -10.1051 -9.3035 -9.3035 -9.2993 -9.2993 4.4557 4.4557 5.2104 5.2104 5.2209 5.2209 6.5353 6.5353 6.5473 6.5473 6.5717 6.5717 6.7242 6.7242 6.9716 6.9716 6.9920 6.9920 9.9950 9.9950 10.0112 10.0112 10.4267 10.4267 12.5812 12.5812 k = 0.0175 0.0175-0.0000 ( 3795 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4344 -32.4344 -23.8025 -23.8025 -23.8022 -23.8022 -14.3792 -14.3792 -14.2003 -14.2003 -14.2002 -14.2002 -10.1093 -10.1093 -9.3048 -9.3048 -9.3029 -9.3029 4.4603 4.4603 5.2186 5.2186 5.2233 5.2233 6.5502 6.5502 6.5568 6.5568 6.5732 6.5732 6.7367 6.7367 6.9925 6.9925 7.0017 7.0017 9.9810 9.9810 9.9884 9.9884 10.4090 10.4090 12.5655 12.5655 k = 0.0088 0.0088-0.0000 ( 3791 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4344 -32.4344 -23.8021 -23.8021 -23.8020 -23.8020 -14.3792 -14.3792 -14.2002 -14.2002 -14.2002 -14.2002 -10.1119 -10.1119 -9.3055 -9.3055 -9.3051 -9.3051 4.4630 4.4630 5.2235 5.2235 5.2247 5.2247 6.5587 6.5587 6.5606 6.5606 6.5763 6.5763 6.7443 6.7443 7.0053 7.0053 7.0077 7.0077 9.9725 9.9725 9.9744 9.9744 10.3984 10.3984 12.5561 12.5561 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4343 -32.4343 -23.8020 -23.8020 -23.8020 -23.8020 -14.3792 -14.3792 -14.2001 -14.2001 -14.2001 -14.2001 -10.1127 -10.1127 -9.3058 -9.3058 -9.3058 -9.3058 4.4639 4.4639 5.2251 5.2251 5.2251 5.2251 6.5615 6.5615 6.5615 6.5615 6.5779 6.5779 6.7469 6.7469 7.0097 7.0097 7.0097 7.0097 9.9697 9.9697 9.9697 9.9697 10.3948 10.3948 12.5529 12.5529 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4343 -32.4343 -23.8020 -23.8020 -23.8020 -23.8020 -14.3792 -14.3792 -14.2001 -14.2001 -14.2001 -14.2001 -10.1127 -10.1127 -9.3058 -9.3058 -9.3058 -9.3058 4.4639 4.4639 5.2251 5.2251 5.2251 5.2251 6.5615 6.5615 6.5615 6.5615 6.5779 6.5779 6.7469 6.7469 7.0097 7.0097 7.0097 7.0097 9.9697 9.9697 9.9697 9.9697 10.3948 10.3948 12.5529 12.5529 k = 0.0071 0.0071 0.0071 ( 3791 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4344 -32.4344 -23.8021 -23.8021 -23.8021 -23.8021 -14.3792 -14.3792 -14.2002 -14.2002 -14.2002 -14.2002 -10.1119 -10.1119 -9.3054 -9.3054 -9.3052 -9.3052 4.4630 4.4630 5.2236 5.2236 5.2246 5.2246 6.5586 6.5586 6.5607 6.5607 6.5764 6.5764 6.7443 6.7443 7.0062 7.0062 7.0069 7.0069 9.9732 9.9732 9.9737 9.9737 10.3983 10.3983 12.5560 12.5560 k = 0.0143 0.0143 0.0143 ( 3797 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4344 -32.4344 -23.8024 -23.8024 -23.8023 -23.8023 -14.3792 -14.3792 -14.2003 -14.2003 -14.2002 -14.2002 -10.1093 -10.1093 -9.3042 -9.3042 -9.3035 -9.3035 4.4603 4.4603 5.2190 5.2190 5.2229 5.2229 6.5501 6.5501 6.5565 6.5565 6.5738 6.5738 6.7368 6.7368 6.9958 6.9958 6.9985 6.9985 9.9835 9.9835 9.9858 9.9858 10.4089 10.4089 12.5655 12.5655 k = 0.0214 0.0214 0.0214 ( 3797 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4345 -32.4345 -23.8028 -23.8028 -23.8027 -23.8027 -14.3793 -14.3793 -14.2004 -14.2004 -14.2002 -14.2002 -10.1051 -10.1051 -9.3021 -9.3021 -9.3007 -9.3007 4.4558 4.4558 5.2114 5.2114 5.2200 5.2200 6.5360 6.5360 6.5450 6.5450 6.5738 6.5738 6.7245 6.7245 6.9787 6.9787 6.9848 6.9848 10.0006 10.0006 10.0056 10.0056 10.4263 10.4263 12.5811 12.5811 k = 0.0286 0.0286 0.0286 ( 3809 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4347 -32.4347 -23.8034 -23.8034 -23.8033 -23.8033 -14.3794 -14.3794 -14.2005 -14.2005 -14.2003 -14.2003 -10.0993 -10.0993 -9.2993 -9.2993 -9.2968 -9.2968 4.4494 4.4494 5.2007 5.2007 5.2159 5.2159 6.5162 6.5162 6.5262 6.5262 6.5762 6.5762 6.7079 6.7079 6.9553 6.9553 6.9662 6.9662 10.0240 10.0240 10.0329 10.0329 10.4504 10.4504 12.6030 12.6030 k = 0.0357 0.0357 0.0357 ( 3809 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4349 -32.4349 -23.8041 -23.8041 -23.8041 -23.8041 -14.3795 -14.3795 -14.2007 -14.2007 -14.2004 -14.2004 -10.0918 -10.0918 -9.2957 -9.2957 -9.2918 -9.2918 4.4412 4.4412 5.1870 5.1870 5.2104 5.2104 6.4911 6.4911 6.5007 6.5007 6.5803 6.5803 6.6874 6.6874 6.9263 6.9263 6.9433 6.9433 10.0536 10.0536 10.0673 10.0673 10.4809 10.4809 12.6309 12.6309 k = 0.0429 0.0429 0.0429 ( 3809 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4351 -32.4351 -23.8050 -23.8050 -23.8050 -23.8050 -14.3796 -14.3796 -14.2009 -14.2009 -14.2005 -14.2005 -10.0826 -10.0826 -9.2913 -9.2913 -9.2856 -9.2856 4.4311 4.4311 5.1704 5.1704 5.2033 5.2033 6.4606 6.4606 6.4689 6.4689 6.5855 6.5855 6.6634 6.6634 6.8925 6.8925 6.9166 6.9166 10.0888 10.0888 10.1085 10.1085 10.5174 10.5174 12.6649 12.6649 k = 0.0500 0.0500 0.0500 ( 3809 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4353 -32.4353 -23.8061 -23.8061 -23.8060 -23.8060 -14.3798 -14.3798 -14.2012 -14.2012 -14.2006 -14.2006 -10.0718 -10.0718 -9.2861 -9.2861 -9.2784 -9.2784 4.4189 4.4189 5.1509 5.1509 5.1946 5.1946 6.4249 6.4249 6.4308 6.4308 6.5917 6.5917 6.6359 6.6359 6.8549 6.8549 6.8870 6.8870 10.1293 10.1293 10.1558 10.1558 10.5596 10.5596 12.7048 12.7048 k = 0.0571 0.0571 0.0571 ( 3815 PWs) bands (ev): -59.5247 -59.5247 -42.3428 -42.3428 -32.4356 -32.4356 -23.8073 -23.8073 -23.8072 -23.8072 -14.3800 -14.3800 -14.2014 -14.2014 -14.2007 -14.2007 -10.0594 -10.0594 -9.2801 -9.2801 -9.2700 -9.2700 4.4047 4.4047 5.1285 5.1285 5.1839 5.1839 6.3840 6.3840 6.3866 6.3866 6.5969 6.5969 6.6064 6.6064 6.8149 6.8149 6.8553 6.8553 10.1745 10.1745 10.2088 10.2088 10.6071 10.6071 12.7506 12.7506 k = 0.0643 0.0643 0.0643 ( 3815 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4359 -32.4359 -23.8087 -23.8087 -23.8086 -23.8086 -14.3802 -14.3802 -14.2017 -14.2017 -14.2008 -14.2008 -10.0454 -10.0454 -9.2733 -9.2733 -9.2606 -9.2606 4.3885 4.3885 5.1034 5.1034 5.1712 5.1712 6.3368 6.3368 6.3382 6.3382 6.5670 6.5670 6.6083 6.6083 6.7744 6.7744 6.8222 6.8222 10.2240 10.2240 10.2669 10.2669 10.6595 10.6595 12.8019 12.8019 k = 0.0714 0.0714 0.0714 ( 3815 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4362 -32.4362 -23.8102 -23.8102 -23.8101 -23.8101 -14.3804 -14.3804 -14.2020 -14.2020 -14.2010 -14.2010 -10.0299 -10.0299 -9.2657 -9.2657 -9.2502 -9.2502 4.3700 4.3700 5.0756 5.0756 5.1560 5.1560 6.2817 6.2817 6.2876 6.2876 6.5250 6.5250 6.6175 6.6175 6.7353 6.7353 6.7887 6.7887 10.2774 10.2774 10.3297 10.3297 10.7163 10.7163 12.8587 12.8587 k = 0.0786 0.0786 0.0786 ( 3818 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4366 -32.4366 -23.8119 -23.8119 -23.8117 -23.8117 -14.3806 -14.3806 -14.2024 -14.2024 -14.2011 -14.2011 -10.0128 -10.0128 -9.2574 -9.2574 -9.2386 -9.2386 4.3495 4.3495 5.0450 5.0450 5.1383 5.1383 6.2218 6.2218 6.2324 6.2324 6.4760 6.4760 6.6277 6.6277 6.6991 6.6991 6.7555 6.7555 10.3341 10.3341 10.3967 10.3967 10.7773 10.7773 12.9207 12.9207 k = 0.0857 0.0857 0.0857 ( 3818 PWs) bands (ev): -59.5246 -59.5246 -42.3428 -42.3428 -32.4370 -32.4370 -23.8137 -23.8137 -23.8135 -23.8135 -14.3808 -14.3808 -14.2028 -14.2028 -14.2013 -14.2013 -9.9942 -9.9942 -9.2483 -9.2483 -9.2261 -9.2261 4.3267 4.3267 5.0119 5.0119 5.1177 5.1177 6.1577 6.1577 6.1728 6.1728 6.4198 6.4198 6.6390 6.6390 6.6671 6.6671 6.7234 6.7234 10.3939 10.3939 10.4674 10.4674 10.8420 10.8420 12.9878 12.9878 k = 0.0929 0.0929 0.0929 ( 3818 PWs) bands (ev): -59.5245 -59.5245 -42.3428 -42.3428 -32.4374 -32.4374 -23.8157 -23.8157 -23.8154 -23.8154 -14.3811 -14.3811 -14.2031 -14.2031 -14.2015 -14.2015 -9.9742 -9.9742 -9.2384 -9.2384 -9.2125 -9.2125 4.3017 4.3017 4.9762 4.9762 5.0941 5.0941 6.0898 6.0898 6.1090 6.1090 6.3567 6.3567 6.6394 6.6394 6.6511 6.6511 6.6931 6.6931 10.4563 10.4563 10.5414 10.5414 10.9102 10.9102 13.0597 13.0597 k = 0.1000 0.1000 0.1000 ( 3812 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4379 -32.4379 -23.8177 -23.8177 -23.8175 -23.8175 -14.3813 -14.3813 -14.2035 -14.2035 -14.2016 -14.2016 -9.9527 -9.9527 -9.2278 -9.2278 -9.1980 -9.1980 4.2745 4.2745 4.9381 4.9381 5.0671 5.0671 6.0187 6.0187 6.0413 6.0413 6.2878 6.2878 6.6158 6.6158 6.6642 6.6642 6.6652 6.6652 10.5211 10.5211 10.6182 10.6182 10.9814 10.9814 13.1361 13.1361 k = 0.1071 0.1071 0.1071 ( 3815 PWs) bands (ev): -59.5245 -59.5245 -42.3427 -42.3427 -32.4384 -32.4384 -23.8200 -23.8200 -23.8197 -23.8197 -14.3816 -14.3816 -14.2039 -14.2039 -14.2018 -14.2018 -9.9298 -9.9298 -9.2165 -9.2165 -9.1824 -9.1824 4.2451 4.2451 4.8975 4.8975 5.0368 5.0368 5.9447 5.9447 5.9700 5.9700 6.2138 6.2138 6.5961 6.5961 6.6403 6.6403 6.6781 6.6781 10.5880 10.5880 10.6976 10.6976 11.0554 11.0554 13.2168 13.2168 k = 0.1143 0.1143 0.1143 ( 3809 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4389 -32.4389 -23.8223 -23.8223 -23.8220 -23.8220 -14.3818 -14.3818 -14.2043 -14.2043 -14.2020 -14.2020 -9.9056 -9.9056 -9.2044 -9.2044 -9.1659 -9.1659 4.2136 4.2136 4.8546 4.8546 5.0030 5.0030 5.8683 5.8683 5.8954 5.8954 6.1357 6.1357 6.5797 6.5797 6.6186 6.6186 6.6929 6.6929 10.6567 10.6567 10.7793 10.7793 11.1319 11.1319 13.3015 13.3015 k = 0.1214 0.1214 0.1214 ( 3803 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4394 -32.4394 -23.8248 -23.8248 -23.8244 -23.8244 -14.3820 -14.3820 -14.2046 -14.2046 -14.2022 -14.2022 -9.8801 -9.8801 -9.1916 -9.1916 -9.1485 -9.1485 4.1801 4.1801 4.8096 4.8096 4.9656 4.9656 5.7898 5.7898 5.8178 5.8178 6.0540 6.0540 6.5667 6.5667 6.6005 6.6005 6.7086 6.7086 10.7271 10.7271 10.8628 10.8628 11.2106 11.2106 13.3899 13.3899 k = 0.1286 0.1286 0.1286 ( 3803 PWs) bands (ev): -59.5244 -59.5244 -42.3427 -42.3427 -32.4400 -32.4400 -23.8273 -23.8273 -23.8269 -23.8269 -14.3823 -14.3823 -14.2050 -14.2050 -14.2024 -14.2024 -9.8533 -9.8533 -9.1782 -9.1782 -9.1302 -9.1302 4.1446 4.1446 4.7624 4.7624 4.9248 4.9248 5.7096 5.7096 5.7376 5.7376 5.9693 5.9693 6.5568 6.5568 6.5861 6.5861 6.7250 6.7250 10.7990 10.7990 10.9480 10.9480 11.2914 11.2914 13.4817 13.4817 k = 0.1357 0.1357 0.1357 ( 3809 PWs) bands (ev): -59.5243 -59.5243 -42.3427 -42.3427 -32.4406 -32.4406 -23.8301 -23.8301 -23.8296 -23.8296 -14.3826 -14.3826 -14.2055 -14.2055 -14.2027 -14.2027 -9.8254 -9.8254 -9.1640 -9.1640 -9.1110 -9.1110 4.1072 4.1072 4.7132 4.7132 4.8804 4.8804 5.6279 5.6279 5.6551 5.6551 5.8820 5.8820 6.5500 6.5500 6.5755 6.5755 6.7422 6.7422 10.8722 10.8722 11.0347 11.0347 11.3739 11.3739 13.5765 13.5765 k = 0.1429 0.1429 0.1429 ( 3815 PWs) bands (ev): -59.5243 -59.5243 -42.3427 -42.3427 -32.4412 -32.4412 -23.8329 -23.8329 -23.8324 -23.8324 -14.3829 -14.3829 -14.2059 -14.2059 -14.2029 -14.2029 -9.7963 -9.7963 -9.1491 -9.1491 -9.0909 -9.0909 4.0680 4.0680 4.6621 4.6621 4.8328 4.8328 5.5451 5.5451 5.5705 5.5705 5.7926 5.7926 6.5461 6.5461 6.5688 6.5688 6.7602 6.7602 10.9467 10.9467 11.1225 11.1225 11.4581 11.4581 13.6741 13.6741 k = 0.1500 0.1500 0.1500 ( 3791 PWs) bands (ev): -59.5243 -59.5243 -42.3426 -42.3426 -32.4418 -32.4418 -23.8357 -23.8357 -23.8352 -23.8352 -14.3831 -14.3831 -14.2061 -14.2061 -14.2031 -14.2031 -9.7661 -9.7661 -9.1335 -9.1335 -9.0700 -9.0700 4.0273 4.0273 4.6093 4.6093 4.7821 4.7821 5.4614 5.4614 5.4844 5.4844 5.7014 5.7014 6.5453 6.5453 6.5659 6.5659 6.7790 6.7790 11.0224 11.0224 11.2113 11.2113 11.5436 11.5436 13.7741 13.7741 k = 0.1571 0.1571 0.1571 ( 3791 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4425 -32.4425 -23.8387 -23.8387 -23.8382 -23.8382 -14.3833 -14.3833 -14.2065 -14.2065 -14.2033 -14.2033 -9.7348 -9.7348 -9.1173 -9.1173 -9.0484 -9.0484 3.9851 3.9851 4.5549 4.5549 4.7285 4.7285 5.3770 5.3770 5.3968 5.3968 5.6086 5.6086 6.5473 6.5473 6.5665 6.5665 6.7984 6.7984 11.0991 11.0991 11.3009 11.3009 11.6304 11.6304 13.8762 13.8762 k = 0.1643 0.1643 0.1643 ( 3809 PWs) bands (ev): -59.5242 -59.5242 -42.3426 -42.3426 -32.4432 -32.4432 -23.8418 -23.8418 -23.8412 -23.8412 -14.3837 -14.3837 -14.2070 -14.2070 -14.2036 -14.2036 -9.7027 -9.7027 -9.1004 -9.1004 -9.0260 -9.0260 3.9415 3.9415 4.4990 4.4990 4.6722 4.6722 5.2922 5.2922 5.3082 5.3082 5.5145 5.5145 6.5521 6.5521 6.5706 6.5706 6.8184 6.8184 11.1769 11.1769 11.3912 11.3912 11.7182 11.7182 13.9800 13.9800 k = 0.1714 0.1714 0.1714 ( 3806 PWs) bands (ev): -59.5241 -59.5241 -42.3426 -42.3426 -32.4439 -32.4439 -23.8449 -23.8449 -23.8443 -23.8443 -14.3839 -14.3839 -14.2073 -14.2073 -14.2038 -14.2038 -9.6696 -9.6696 -9.0829 -9.0829 -9.0028 -9.0028 3.8967 3.8967 4.4419 4.4419 4.6134 4.6134 5.2072 5.2072 5.2188 5.2188 5.4194 5.4194 6.5596 6.5596 6.5780 6.5780 6.8391 6.8391 11.2557 11.2557 11.4819 11.4819 11.8069 11.8069 14.0851 14.0851 k = 0.1786 0.1786 0.1786 ( 3791 PWs) bands (ev): -59.5241 -59.5241 -42.3425 -42.3425 -32.4446 -32.4446 -23.8481 -23.8481 -23.8475 -23.8475 -14.3841 -14.3841 -14.2076 -14.2076 -14.2040 -14.2040 -9.6357 -9.6357 -9.0647 -9.0647 -8.9790 -8.9790 3.8509 3.8509 4.3836 4.3836 4.5525 4.5525 5.1221 5.1221 5.1290 5.1290 5.3234 5.3234 6.5698 6.5698 6.5885 6.5885 6.8604 6.8604 11.3355 11.3355 11.5731 11.5731 11.8963 11.8963 14.1913 14.1913 k = 0.1857 0.1857 0.1857 ( 3797 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4454 -32.4454 -23.8514 -23.8514 -23.8507 -23.8507 -14.3844 -14.3844 -14.2080 -14.2080 -14.2043 -14.2043 -9.6011 -9.6011 -9.0458 -9.0458 -8.9545 -8.9545 3.8041 3.8041 4.3244 4.3244 4.4895 4.4895 5.0372 5.0372 5.0390 5.0390 5.2268 5.2268 6.5825 6.5825 6.6018 6.6018 6.8823 6.8823 11.4162 11.4162 11.6644 11.6644 11.9864 11.9864 14.2982 14.2982 k = 0.1929 0.1929 0.1929 ( 3803 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4461 -32.4461 -23.8548 -23.8548 -23.8540 -23.8540 -14.3847 -14.3847 -14.2083 -14.2083 -14.2046 -14.2046 -9.5658 -9.5658 -9.0263 -9.0263 -8.9294 -8.9294 3.7565 3.7565 4.2644 4.2644 4.4248 4.4248 4.9490 4.9490 4.9525 4.9525 5.1298 5.1298 6.5975 6.5975 6.6178 6.6178 6.9046 6.9046 11.4977 11.4977 11.7559 11.7559 12.0770 12.0770 14.4053 14.4053 k = 0.2000 0.2000 0.2000 ( 3803 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4469 -32.4469 -23.8582 -23.8582 -23.8574 -23.8574 -14.3849 -14.3849 -14.2086 -14.2086 -14.2048 -14.2048 -9.5299 -9.5299 -9.0062 -9.0062 -8.9038 -8.9038 3.7082 3.7082 4.2037 4.2037 4.3584 4.3584 4.8595 4.8595 4.8683 4.8683 5.0326 5.0326 6.6149 6.6149 6.6362 6.6362 6.9275 6.9275 11.5801 11.5801 11.8474 11.8474 12.1680 12.1680 14.5124 14.5124 k = 0.2071 0.2071 0.2071 ( 3797 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4477 -32.4477 -23.8616 -23.8616 -23.8608 -23.8608 -14.3851 -14.3851 -14.2088 -14.2088 -14.2051 -14.2051 -9.4935 -9.4935 -8.9854 -8.9854 -8.8776 -8.8776 3.6594 3.6594 4.1426 4.1426 4.2906 4.2906 4.7707 4.7707 4.7847 4.7847 4.9355 4.9355 6.6344 6.6344 6.6569 6.6569 6.9508 6.9508 11.6634 11.6634 11.9388 11.9388 12.2592 12.2592 14.6189 14.6189 k = 0.2143 0.2143 0.2143 ( 3785 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4484 -32.4484 -23.8650 -23.8650 -23.8642 -23.8642 -14.3853 -14.3853 -14.2090 -14.2090 -14.2052 -14.2052 -9.4568 -9.4568 -8.9640 -8.9640 -8.8509 -8.8509 3.6100 3.6100 4.0812 4.0812 4.2215 4.2215 4.6828 4.6828 4.7018 4.7018 4.8386 4.8386 6.6559 6.6559 6.6796 6.6796 6.9746 6.9746 11.7474 11.7474 12.0300 12.0300 12.3505 12.3505 14.7246 14.7246 k = 0.2214 0.2214 0.2214 ( 3788 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4492 -32.4492 -23.8685 -23.8685 -23.8677 -23.8677 -14.3855 -14.3855 -14.2093 -14.2093 -14.2055 -14.2055 -9.4198 -9.4198 -8.9419 -8.9419 -8.8238 -8.8238 3.5602 3.5602 4.0196 4.0196 4.1512 4.1512 4.5960 4.5960 4.6196 4.6196 4.7423 4.7423 6.6793 6.6793 6.7042 6.7042 6.9987 6.9987 11.8321 11.8321 12.1209 12.1209 12.4420 12.4420 14.8289 14.8289 k = 0.2286 0.2286 0.2286 ( 3794 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4500 -32.4500 -23.8721 -23.8721 -23.8712 -23.8712 -14.3857 -14.3857 -14.2096 -14.2096 -14.2058 -14.2058 -9.3826 -9.3826 -8.9191 -8.9191 -8.7963 -8.7963 3.5101 3.5101 3.9580 3.9580 4.0797 4.0797 4.5108 4.5108 4.5381 4.5381 4.6468 4.6468 6.7044 6.7044 6.7304 6.7304 7.0231 7.0231 11.9176 11.9176 12.2114 12.2114 12.5333 12.5333 14.9315 14.9315 k = 0.2357 0.2357 0.2357 ( 3797 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4509 -32.4509 -23.8756 -23.8756 -23.8747 -23.8747 -14.3859 -14.3859 -14.2098 -14.2098 -14.2060 -14.2060 -9.3454 -9.3454 -8.8957 -8.8957 -8.7684 -8.7684 3.4596 3.4596 3.8964 3.8964 4.0073 4.0073 4.4272 4.4272 4.4574 4.4574 4.5525 4.5525 6.7311 6.7311 6.7582 6.7582 7.0477 7.0477 12.0037 12.0037 12.3014 12.3014 12.6245 12.6245 15.0317 15.0317 k = 0.2429 0.2429 0.2429 ( 3797 PWs) bands (ev): -59.5236 -59.5236 -42.3424 -42.3424 -32.4517 -32.4517 -23.8791 -23.8791 -23.8782 -23.8782 -14.3861 -14.3861 -14.2100 -14.2100 -14.2063 -14.2063 -9.3082 -9.3082 -8.8716 -8.8716 -8.7403 -8.7403 3.4090 3.4090 3.8350 3.8350 3.9340 3.9340 4.3456 4.3456 4.3771 4.3771 4.4601 4.4601 6.7593 6.7593 6.7873 6.7873 7.0726 7.0726 12.0903 12.0903 12.3909 12.3909 12.7155 12.7155 15.1291 15.1291 k = 0.2500 0.2500 0.2500 ( 3785 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4524 -32.4524 -23.8826 -23.8826 -23.8817 -23.8817 -14.3862 -14.3862 -14.2101 -14.2101 -14.2065 -14.2065 -9.2712 -9.2712 -8.8468 -8.8468 -8.7119 -8.7119 3.3582 3.3582 3.7739 3.7739 3.8598 3.8598 4.2660 4.2660 4.2971 4.2971 4.3701 4.3701 6.7888 6.7888 6.8177 6.8177 7.0977 7.0977 12.1775 12.1775 12.4797 12.4797 12.8062 12.8062 15.2231 15.2231 k = 0.2571 0.2571 0.2571 ( 3797 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4533 -32.4533 -23.8862 -23.8862 -23.8852 -23.8852 -14.3864 -14.3864 -14.2103 -14.2103 -14.2067 -14.2067 -9.2345 -9.2345 -8.8212 -8.8212 -8.6833 -8.6833 3.3072 3.3072 3.7131 3.7131 3.7850 3.7850 4.1887 4.1887 4.2165 4.2165 4.2835 4.2835 6.8195 6.8195 6.8491 6.8491 7.1229 7.1229 12.2651 12.2651 12.5677 12.5677 12.8964 12.8964 15.3131 15.3131 k = 0.2643 0.2643 0.2643 ( 3794 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4541 -32.4541 -23.8897 -23.8897 -23.8887 -23.8887 -14.3866 -14.3866 -14.2104 -14.2104 -14.2070 -14.2070 -9.1982 -9.1982 -8.7949 -8.7949 -8.6545 -8.6545 3.2561 3.2561 3.6527 3.6527 3.7097 3.7097 4.1138 4.1138 4.1352 4.1352 4.2012 4.2012 6.8513 6.8513 6.8814 6.8814 7.1482 7.1482 12.3530 12.3530 12.6550 12.6550 12.9861 12.9861 15.3984 15.3984 k = 0.2714 0.2714 0.2714 ( 3797 PWs) bands (ev): -59.5234 -59.5234 -42.3423 -42.3423 -32.4549 -32.4549 -23.8931 -23.8931 -23.8922 -23.8922 -14.3868 -14.3868 -14.2105 -14.2105 -14.2072 -14.2072 -9.1625 -9.1625 -8.7679 -8.7679 -8.6257 -8.6257 3.2049 3.2049 3.5926 3.5926 3.6340 3.6340 4.0414 4.0414 4.0532 4.0532 4.1232 4.1232 6.8839 6.8839 6.9145 6.9145 7.1735 7.1735 12.4413 12.4413 12.7413 12.7413 13.0752 13.0752 15.4781 15.4781 k = 0.2786 0.2786 0.2786 ( 3785 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4556 -32.4556 -23.8966 -23.8966 -23.8956 -23.8956 -14.3869 -14.3869 -14.2106 -14.2106 -14.2074 -14.2074 -9.1274 -9.1274 -8.7402 -8.7402 -8.5969 -8.5969 3.1537 3.1537 3.5327 3.5327 3.5582 3.5582 3.9712 3.9712 3.9714 3.9714 4.0494 4.0494 6.9174 6.9174 6.9483 6.9483 7.1989 7.1989 12.5297 12.5297 12.8267 12.8267 13.1637 13.1637 15.5516 15.5516 k = 0.2857 0.2857 0.2857 ( 3785 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4564 -32.4564 -23.9000 -23.9000 -23.8991 -23.8991 -14.3870 -14.3870 -14.2107 -14.2107 -14.2076 -14.2076 -9.0932 -9.0932 -8.7117 -8.7117 -8.5680 -8.5680 3.1025 3.1025 3.4730 3.4730 3.4824 3.4824 3.8903 3.8903 3.9039 3.9039 3.9792 3.9792 6.9516 6.9516 6.9826 6.9826 7.2241 7.2241 12.6181 12.6181 12.9110 12.9110 13.2513 13.2513 15.6179 15.6179 k = 0.2929 0.2929 0.2929 ( 3785 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4572 -32.4572 -23.9034 -23.9034 -23.9024 -23.9024 -14.3872 -14.3872 -14.2108 -14.2108 -14.2078 -14.2078 -9.0599 -9.0599 -8.6825 -8.6825 -8.5393 -8.5393 3.0513 3.0513 3.4069 3.4069 3.4132 3.4132 3.8115 3.8115 3.8389 3.8389 3.9120 3.9120 6.9862 6.9862 7.0173 7.0173 7.2492 7.2492 12.7065 12.7065 12.9941 12.9941 13.3381 13.3381 15.6761 15.6761 k = 0.3000 0.3000 0.3000 ( 3791 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4580 -32.4580 -23.9067 -23.9067 -23.9058 -23.9058 -14.3873 -14.3873 -14.2109 -14.2109 -14.2081 -14.2081 -9.0275 -9.0275 -8.6526 -8.6526 -8.5107 -8.5107 3.0003 3.0003 3.3319 3.3319 3.3531 3.3531 3.7355 3.7355 3.7764 3.7764 3.8475 3.8475 7.0213 7.0213 7.0522 7.0522 7.2742 7.2742 12.7948 12.7948 13.0759 13.0759 13.4240 13.4240 15.7254 15.7254 k = 0.3071 0.3071 0.3071 ( 3773 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4587 -32.4587 -23.9099 -23.9099 -23.9090 -23.9090 -14.3874 -14.3874 -14.2109 -14.2109 -14.2082 -14.2082 -8.9962 -8.9962 -8.6221 -8.6221 -8.4823 -8.4823 2.9495 2.9495 3.2576 3.2576 3.2926 3.2926 3.6631 3.6631 3.7163 3.7163 3.7856 3.7856 7.0567 7.0567 7.0874 7.0874 7.2989 7.2989 12.8827 12.8827 13.1564 13.1564 13.5088 13.5088 15.7651 15.7651 k = 0.3143 0.3143 0.3143 ( 3773 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4595 -32.4595 -23.9131 -23.9131 -23.9123 -23.9123 -14.3875 -14.3875 -14.2109 -14.2109 -14.2084 -14.2084 -8.9661 -8.9661 -8.5910 -8.5910 -8.4542 -8.4542 2.8990 2.8990 3.1843 3.1843 3.2314 3.2314 3.5947 3.5947 3.6585 3.6585 3.7262 3.7262 7.0921 7.0921 7.1225 7.1225 7.3233 7.3233 12.9702 12.9702 13.2355 13.2355 13.5924 13.5924 15.7946 15.7946 k = 0.3214 0.3214 0.3214 ( 3773 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4602 -32.4602 -23.9162 -23.9162 -23.9154 -23.9154 -14.3876 -14.3876 -14.2109 -14.2109 -14.2086 -14.2086 -8.9371 -8.9371 -8.5595 -8.5595 -8.4264 -8.4264 2.8489 2.8489 3.1121 3.1121 3.1694 3.1694 3.5307 3.5307 3.6031 3.6031 3.6691 3.6691 7.1276 7.1276 7.1576 7.1576 7.3474 7.3474 13.0571 13.0571 13.3130 13.3130 13.6748 13.6748 15.8135 15.8135 k = 0.3286 0.3286 0.3286 ( 3770 PWs) bands (ev): -59.5230 -59.5230 -42.3421 -42.3421 -32.4609 -32.4609 -23.9193 -23.9193 -23.9185 -23.9185 -14.3878 -14.3878 -14.2110 -14.2110 -14.2088 -14.2088 -8.9092 -8.9092 -8.5276 -8.5276 -8.3990 -8.3990 2.7994 2.7994 3.0413 3.0413 3.1066 3.1066 3.4714 3.4714 3.5499 3.5499 3.6143 3.6143 7.1631 7.1631 7.1924 7.1924 7.3711 7.3711 13.1432 13.1432 13.3888 13.3888 13.7558 13.7558 15.8219 15.8219 k = 0.3357 0.3357 0.3357 ( 3764 PWs) bands (ev): -59.5230 -59.5230 -42.3420 -42.3420 -32.4616 -32.4616 -23.9223 -23.9223 -23.9215 -23.9215 -14.3879 -14.3879 -14.2110 -14.2110 -14.2090 -14.2090 -8.8826 -8.8826 -8.4955 -8.4955 -8.3721 -8.3721 2.7506 2.7506 2.9721 2.9721 3.0432 3.0432 3.4167 3.4167 3.4990 3.4990 3.5619 3.5619 7.1982 7.1982 7.2270 7.2270 7.3943 7.3943 13.2283 13.2283 13.4629 13.4629 13.8354 13.8354 15.8202 15.8202 k = 0.3429 0.3429 0.3429 ( 3767 PWs) bands (ev): -59.5230 -59.5230 -42.3420 -42.3420 -32.4623 -32.4623 -23.9251 -23.9251 -23.9245 -23.9245 -14.3880 -14.3880 -14.2110 -14.2110 -14.2092 -14.2092 -8.8572 -8.8572 -8.4634 -8.4634 -8.3457 -8.3457 2.7026 2.7026 2.9046 2.9046 2.9794 2.9794 3.3664 3.3664 3.4503 3.4503 3.5118 3.5118 7.2330 7.2330 7.2611 7.2611 7.4170 7.4170 13.3123 13.3123 13.5352 13.5352 13.9133 13.9133 15.8092 15.8092 k = 0.3500 0.3500 0.3500 ( 3773 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4629 -32.4629 -23.9280 -23.9280 -23.9273 -23.9273 -14.3881 -14.3881 -14.2111 -14.2111 -14.2094 -14.2094 -8.8330 -8.8330 -8.4313 -8.4313 -8.3199 -8.3199 2.6556 2.6556 2.8390 2.8390 2.9156 2.9156 3.3203 3.3203 3.4038 3.4038 3.4640 3.4640 7.2673 7.2673 7.2946 7.2946 7.4392 7.4392 13.3950 13.3950 13.6055 13.6055 13.9896 13.9896 15.7900 15.7900 k = 0.3571 0.3571 0.3571 ( 3785 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4636 -32.4636 -23.9307 -23.9307 -23.9301 -23.9301 -14.3883 -14.3883 -14.2112 -14.2112 -14.2096 -14.2096 -8.8100 -8.8100 -8.3994 -8.3994 -8.2948 -8.2948 2.6097 2.6097 2.7754 2.7754 2.8522 2.8522 3.2782 3.2782 3.3595 3.3595 3.4185 3.4185 7.3010 7.3010 7.3275 7.3275 7.4607 7.4607 13.4761 13.4761 13.6737 13.6737 14.0640 14.0640 15.7637 15.7637 k = 0.3643 0.3643 0.3643 ( 3779 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4642 -32.4642 -23.9333 -23.9333 -23.9327 -23.9327 -14.3884 -14.3884 -14.2111 -14.2111 -14.2098 -14.2098 -8.7881 -8.7881 -8.3679 -8.3679 -8.2703 -8.2703 2.5651 2.5651 2.7141 2.7141 2.7898 2.7898 3.2396 3.2396 3.3174 3.3174 3.3753 3.3753 7.3340 7.3340 7.3597 7.3597 7.4817 7.4817 13.5554 13.5554 13.7397 13.7397 14.1365 14.1365 15.7317 15.7317 k = 0.3714 0.3714 0.3714 ( 3779 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4648 -32.4648 -23.9358 -23.9358 -23.9352 -23.9352 -14.3885 -14.3885 -14.2112 -14.2112 -14.2099 -14.2099 -8.7674 -8.7674 -8.3370 -8.3370 -8.2467 -8.2467 2.5219 2.5219 2.6551 2.6551 2.7286 2.7286 3.2042 3.2042 3.2774 3.2774 3.3344 3.3344 7.3662 7.3662 7.3910 7.3910 7.5019 7.5019 13.6328 13.6328 13.8034 13.8034 14.2068 14.2068 15.6953 15.6953 k = 0.3786 0.3786 0.3786 ( 3779 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4654 -32.4654 -23.9381 -23.9381 -23.9377 -23.9377 -14.3886 -14.3886 -14.2112 -14.2112 -14.2101 -14.2101 -8.7478 -8.7478 -8.3067 -8.3067 -8.2239 -8.2239 2.4803 2.4803 2.5987 2.5987 2.6690 2.6690 3.1718 3.1718 3.2395 3.2395 3.2958 3.2958 7.3973 7.3973 7.4213 7.4213 7.5213 7.5213 13.7079 13.7079 13.8647 13.8647 14.2749 14.2749 15.6556 15.6556 k = 0.3857 0.3857 0.3857 ( 3779 PWs) bands (ev): -59.5227 -59.5227 -42.3419 -42.3419 -32.4659 -32.4659 -23.9404 -23.9404 -23.9400 -23.9400 -14.3887 -14.3887 -14.2112 -14.2112 -14.2102 -14.2102 -8.7293 -8.7293 -8.2773 -8.2773 -8.2020 -8.2020 2.4403 2.4403 2.5448 2.5448 2.6115 2.6115 3.1420 3.1420 3.2038 3.2038 3.2596 3.2596 7.4274 7.4274 7.4505 7.4505 7.5400 7.5400 13.7806 13.7806 13.9234 13.9234 14.3405 14.3405 15.6139 15.6139 k = 0.3929 0.3929 0.3929 ( 3785 PWs) bands (ev): -59.5227 -59.5227 -42.3419 -42.3419 -32.4664 -32.4664 -23.9426 -23.9426 -23.9422 -23.9422 -14.3888 -14.3888 -14.2112 -14.2112 -14.2104 -14.2104 -8.7120 -8.7120 -8.2488 -8.2488 -8.1811 -8.1811 2.4022 2.4022 2.4935 2.4935 2.5562 2.5562 3.1147 3.1147 3.1703 3.1703 3.2256 3.2256 7.4563 7.4563 7.4785 7.4785 7.5577 7.5577 13.8505 13.8505 13.9794 13.9794 14.4036 14.4036 15.5711 15.5711 k = 0.4000 0.4000 0.4000 ( 3782 PWs) bands (ev): -59.5227 -59.5227 -42.3419 -42.3419 -32.4669 -32.4669 -23.9446 -23.9446 -23.9443 -23.9443 -14.3889 -14.3889 -14.2112 -14.2112 -14.2105 -14.2105 -8.6957 -8.6957 -8.2215 -8.2215 -8.1612 -8.1612 2.3659 2.3659 2.4452 2.4452 2.5035 2.5035 3.0897 3.0897 3.1389 3.1389 3.1940 3.1940 7.4839 7.4839 7.5052 7.5052 7.5746 7.5746 13.9175 13.9175 14.0326 14.0326 14.4639 14.4639 15.5281 15.5281 k = 0.4071 0.4071 0.4071 ( 3779 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4673 -32.4673 -23.9465 -23.9465 -23.9462 -23.9462 -14.3890 -14.3890 -14.2112 -14.2112 -14.2106 -14.2106 -8.6806 -8.6806 -8.1954 -8.1954 -8.1424 -8.1424 2.3317 2.3317 2.3997 2.3997 2.4536 2.4536 3.0667 3.0667 3.1096 3.1096 3.1647 3.1647 7.5101 7.5101 7.5306 7.5306 7.5906 7.5906 13.9813 13.9813 14.0828 14.0828 14.5212 14.5212 15.4857 15.4857 k = 0.4143 0.4143 0.4143 ( 3794 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4678 -32.4678 -23.9483 -23.9483 -23.9480 -23.9480 -14.3891 -14.3891 -14.2113 -14.2113 -14.2108 -14.2108 -8.6665 -8.6665 -8.1707 -8.1707 -8.1247 -8.1247 2.2996 2.2996 2.3572 2.3572 2.4065 2.4065 3.0457 3.0457 3.0824 3.0824 3.1377 3.1377 7.5347 7.5347 7.5545 7.5545 7.6056 7.6056 14.0415 14.0415 14.1299 14.1299 14.5754 14.5754 15.4444 15.4444 k = 0.4214 0.4214 0.4214 ( 3795 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4682 -32.4682 -23.9500 -23.9500 -23.9497 -23.9497 -14.3892 -14.3892 -14.2113 -14.2113 -14.2109 -14.2109 -8.6536 -8.6536 -8.1476 -8.1476 -8.1083 -8.1083 2.2698 2.2698 2.3178 2.3178 2.3627 2.3627 3.0266 3.0266 3.0575 3.0575 3.1131 3.1131 7.5578 7.5578 7.5768 7.5768 7.6196 7.6196 14.0981 14.0981 14.1739 14.1739 14.6262 14.6262 15.4047 15.4047 k = 0.4286 0.4286 0.4286 ( 3801 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4686 -32.4686 -23.9515 -23.9515 -23.9513 -23.9513 -14.3893 -14.3893 -14.2114 -14.2114 -14.2111 -14.2111 -8.6417 -8.6417 -8.1260 -8.1260 -8.0931 -8.0931 2.2422 2.2422 2.2816 2.2816 2.3222 2.3222 3.0092 3.0092 3.0347 3.0347 3.0907 3.0907 7.5790 7.5790 7.5974 7.5974 7.6325 7.6325 14.1507 14.1507 14.2145 14.2145 14.6736 14.6736 15.3673 15.3673 k = 0.4357 0.4357 0.4357 ( 3801 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4689 -32.4689 -23.9528 -23.9528 -23.9527 -23.9527 -14.3894 -14.3894 -14.2114 -14.2114 -14.2111 -14.2111 -8.6310 -8.6310 -8.1062 -8.1062 -8.0791 -8.0791 2.2170 2.2170 2.2486 2.2486 2.2852 2.2852 2.9936 2.9936 3.0140 3.0140 3.0707 3.0707 7.5985 7.5985 7.6164 7.6164 7.6445 7.6445 14.1991 14.1991 14.2517 14.2517 14.7172 14.7172 15.3323 15.3323 k = 0.4429 0.4429 0.4429 ( 3795 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4692 -32.4692 -23.9541 -23.9541 -23.9540 -23.9540 -14.3894 -14.3894 -14.2114 -14.2114 -14.2112 -14.2112 -8.6213 -8.6213 -8.0882 -8.0882 -8.0666 -8.0666 2.1942 2.1942 2.2189 2.2189 2.2518 2.2518 2.9795 2.9795 2.9955 2.9955 3.0530 3.0530 7.6160 7.6160 7.6336 7.6336 7.6553 7.6553 14.2431 14.2431 14.2853 14.2853 14.7569 14.7569 15.3002 15.3002 k = 0.4500 0.4500 0.4500 ( 3801 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4695 -32.4695 -23.9552 -23.9552 -23.9551 -23.9551 -14.3895 -14.3895 -14.2114 -14.2114 -14.2113 -14.2113 -8.6128 -8.6128 -8.0721 -8.0721 -8.0554 -8.0554 2.1740 2.1740 2.1925 2.1925 2.2221 2.2221 2.9671 2.9671 2.9792 2.9792 3.0375 3.0375 7.6315 7.6315 7.6489 7.6489 7.6651 7.6651 14.2825 14.2825 14.3153 14.3153 14.7925 14.7925 15.2713 15.2713 k = 0.4571 0.4571 0.4571 ( 3804 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4697 -32.4697 -23.9561 -23.9561 -23.9561 -23.9561 -14.3896 -14.3896 -14.2114 -14.2114 -14.2114 -14.2114 -8.6054 -8.6054 -8.0580 -8.0580 -8.0456 -8.0456 2.1562 2.1562 2.1696 2.1696 2.1962 2.1962 2.9563 2.9563 2.9650 2.9650 3.0243 3.0243 7.6450 7.6450 7.6622 7.6622 7.6737 7.6737 14.3171 14.3171 14.3414 14.3414 14.8238 14.8238 15.2457 15.2457 k = 0.4643 0.4643 0.4643 ( 3810 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4699 -32.4699 -23.9569 -23.9569 -23.9569 -23.9569 -14.3896 -14.3896 -14.2115 -14.2115 -14.2114 -14.2114 -8.5992 -8.5992 -8.0460 -8.0460 -8.0373 -8.0373 2.1410 2.1410 2.1501 2.1501 2.1742 2.1742 2.9470 2.9470 2.9531 2.9531 3.0132 3.0132 7.6562 7.6562 7.6736 7.6736 7.6813 7.6813 14.3466 14.3466 14.3637 14.3637 14.8507 14.8507 15.2236 15.2236 k = 0.4714 0.4714 0.4714 ( 3828 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4701 -32.4701 -23.9576 -23.9576 -23.9576 -23.9576 -14.3898 -14.3898 -14.2116 -14.2116 -14.2115 -14.2115 -8.5940 -8.5940 -8.0360 -8.0360 -8.0304 -8.0304 2.1284 2.1284 2.1341 2.1341 2.1563 2.1563 2.9394 2.9394 2.9432 2.9432 3.0042 3.0042 7.6653 7.6653 7.6830 7.6830 7.6877 7.6877 14.3710 14.3710 14.3821 14.3821 14.8730 14.8730 15.2053 15.2053 k = 0.4786 0.4786 0.4786 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4702 -32.4702 -23.9582 -23.9582 -23.9582 -23.9582 -14.3898 -14.3898 -14.2116 -14.2116 -14.2116 -14.2116 -8.5900 -8.5900 -8.0282 -8.0282 -8.0251 -8.0251 2.1185 2.1185 2.1216 2.1216 2.1423 2.1423 2.9334 2.9334 2.9356 2.9356 2.9972 2.9972 7.6722 7.6722 7.6903 7.6903 7.6929 7.6929 14.3902 14.3902 14.3964 14.3964 14.8905 14.8905 15.1908 15.1908 k = 0.4857 0.4857 0.4857 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4703 -32.4703 -23.9585 -23.9585 -23.9585 -23.9585 -14.3899 -14.3899 -14.2116 -14.2116 -14.2116 -14.2116 -8.5872 -8.5872 -8.0226 -8.0226 -8.0212 -8.0212 2.1113 2.1113 2.1126 2.1126 2.1324 2.1324 2.9292 2.9292 2.9301 2.9301 2.9923 2.9923 7.6771 7.6771 7.6956 7.6956 7.6967 7.6967 14.4039 14.4039 14.4067 14.4067 14.9031 14.9031 15.1804 15.1804 k = 0.4929 0.4929 0.4929 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4704 -32.4704 -23.9588 -23.9588 -23.9588 -23.9588 -14.3899 -14.3899 -14.2116 -14.2116 -14.2116 -14.2116 -8.5854 -8.5854 -8.0193 -8.0193 -8.0189 -8.0189 2.1069 2.1069 2.1073 2.1073 2.1265 2.1265 2.9266 2.9266 2.9268 2.9268 2.9894 2.9894 7.6800 7.6800 7.6988 7.6988 7.6990 7.6990 14.4122 14.4122 14.4129 14.4129 14.9108 14.9108 15.1741 15.1741 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4704 -32.4704 -23.9588 -23.9588 -23.9588 -23.9588 -14.3899 -14.3899 -14.2116 -14.2116 -14.2116 -14.2116 -8.5849 -8.5849 -8.0182 -8.0182 -8.0182 -8.0182 2.1055 2.1055 2.1055 2.1055 2.1246 2.1246 2.9258 2.9258 2.9258 2.9258 2.9884 2.9884 7.6809 7.6809 7.6998 7.6998 7.6998 7.6998 14.4150 14.4150 14.4150 14.4150 14.9133 14.9133 15.1719 15.1719 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4704 -32.4704 -23.9588 -23.9588 -23.9588 -23.9588 -14.3899 -14.3899 -14.2116 -14.2116 -14.2116 -14.2116 -8.5849 -8.5849 -8.0182 -8.0182 -8.0182 -8.0182 2.1055 2.1055 2.1055 2.1055 2.1246 2.1246 2.9258 2.9258 2.9258 2.9258 2.9884 2.9884 7.6809 7.6809 7.6998 7.6998 7.6998 7.6998 14.4150 14.4150 14.4150 14.4150 14.9133 14.9133 15.1719 15.1719 k = 0.4912 0.5000 0.4912 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4704 -32.4704 -23.9588 -23.9588 -23.9587 -23.9587 -14.3899 -14.3899 -14.2116 -14.2116 -14.2116 -14.2116 -8.5854 -8.5854 -8.0196 -8.0196 -8.0186 -8.0186 2.1062 2.1062 2.1079 2.1079 2.1266 2.1266 2.9264 2.9264 2.9271 2.9271 2.9894 2.9894 7.6800 7.6800 7.6986 7.6986 7.6991 7.6991 14.4119 14.4119 14.4132 14.4132 14.9108 14.9108 15.1741 15.1741 k = 0.4825 0.5000 0.4825 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4703 -32.4703 -23.9587 -23.9587 -23.9584 -23.9584 -14.3899 -14.3899 -14.2117 -14.2117 -14.2116 -14.2116 -8.5872 -8.5872 -8.0239 -8.0239 -8.0200 -8.0200 2.1076 2.1076 2.1153 2.1153 2.1336 2.1336 2.9283 2.9283 2.9310 2.9310 2.9924 2.9924 7.6770 7.6770 7.6952 7.6952 7.6971 7.6971 14.4026 14.4026 14.4080 14.4080 14.9031 14.9031 15.1804 15.1804 k = 0.4737 0.5000 0.4737 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4702 -32.4702 -23.9586 -23.9586 -23.9578 -23.9578 -14.3898 -14.3898 -14.2117 -14.2117 -14.2116 -14.2116 -8.5901 -8.5901 -8.0311 -8.0311 -8.0223 -8.0223 2.1087 2.1087 2.1274 2.1274 2.1465 2.1465 2.9315 2.9315 2.9374 2.9374 2.9975 2.9975 7.6718 7.6718 7.6895 7.6895 7.6939 7.6939 14.3871 14.3871 14.3993 14.3993 14.8905 14.8905 15.1909 15.1909 k = 0.4649 0.5000 0.4649 ( 3828 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4701 -32.4701 -23.9583 -23.9583 -23.9569 -23.9569 -14.3898 -14.3898 -14.2116 -14.2116 -14.2114 -14.2114 -8.5942 -8.5942 -8.0410 -8.0410 -8.0254 -8.0254 2.1092 2.1092 2.1441 2.1441 2.1658 2.1658 2.9359 2.9359 2.9461 2.9461 3.0051 3.0051 7.6640 7.6640 7.6820 7.6820 7.6897 7.6897 14.3655 14.3655 14.3872 14.3872 14.8732 14.8732 15.2055 15.2055 k = 0.4561 0.5000 0.4561 ( 3808 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4699 -32.4699 -23.9580 -23.9580 -23.9558 -23.9558 -14.3896 -14.3896 -14.2116 -14.2116 -14.2113 -14.2113 -8.5994 -8.5994 -8.0537 -8.0537 -8.0294 -8.0294 2.1094 2.1094 2.1653 2.1653 2.1911 2.1911 2.9414 2.9414 2.9568 2.9568 3.0153 3.0153 7.6533 7.6533 7.6728 7.6728 7.6845 7.6845 14.3380 14.3380 14.3716 14.3716 14.8515 14.8515 15.2240 15.2240 k = 0.4474 0.5000 0.4474 ( 3792 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4697 -32.4697 -23.9576 -23.9576 -23.9545 -23.9545 -14.3895 -14.3895 -14.2116 -14.2116 -14.2111 -14.2111 -8.6060 -8.6060 -8.0690 -8.0690 -8.0341 -8.0341 2.1093 2.1093 2.1910 2.1910 2.2223 2.2223 2.9481 2.9481 2.9693 2.9693 3.0287 3.0287 7.6396 7.6396 7.6619 7.6619 7.6784 7.6784 14.3045 14.3045 14.3528 14.3528 14.8256 14.8256 15.2464 15.2464 k = 0.4386 0.5000 0.4386 ( 3800 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4695 -32.4695 -23.9572 -23.9572 -23.9530 -23.9530 -14.3895 -14.3895 -14.2116 -14.2116 -14.2111 -14.2111 -8.6138 -8.6138 -8.0868 -8.0868 -8.0396 -8.0396 2.1090 2.1090 2.2209 2.2209 2.2591 2.2591 2.9557 2.9557 2.9832 2.9832 3.0456 3.0456 7.6230 7.6230 7.6493 7.6493 7.6714 7.6714 14.2654 14.2654 14.3307 14.3307 14.7960 14.7960 15.2724 15.2724 k = 0.4298 0.5000 0.4298 ( 3800 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4692 -32.4692 -23.9568 -23.9568 -23.9513 -23.9513 -14.3895 -14.3895 -14.2116 -14.2116 -14.2109 -14.2109 -8.6229 -8.6229 -8.1071 -8.1071 -8.0456 -8.0456 2.1087 2.1087 2.2551 2.2551 2.3013 2.3013 2.9644 2.9644 2.9982 2.9982 3.0662 3.0662 7.6038 7.6038 7.6350 7.6350 7.6635 7.6635 14.2206 14.2206 14.3055 14.3055 14.7631 14.7631 15.3019 15.3019 k = 0.4211 0.5000 0.4211 ( 3804 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4689 -32.4689 -23.9562 -23.9562 -23.9493 -23.9493 -14.3894 -14.3894 -14.2117 -14.2117 -14.2108 -14.2108 -8.6333 -8.6333 -8.1297 -8.1297 -8.0522 -8.0522 2.1082 2.1082 2.2935 2.2935 2.3488 2.3488 2.9740 2.9740 3.0144 3.0144 3.0908 3.0908 7.5820 7.5820 7.6189 7.6189 7.6546 7.6546 14.1705 14.1705 14.2773 14.2773 14.7271 14.7271 15.3348 15.3348 k = 0.4123 0.5000 0.4123 ( 3800 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4686 -32.4686 -23.9556 -23.9556 -23.9472 -23.9472 -14.3893 -14.3893 -14.2117 -14.2117 -14.2107 -14.2107 -8.6451 -8.6451 -8.1544 -8.1544 -8.0593 -8.0593 2.1077 2.1077 2.3360 2.3360 2.4014 2.4014 2.9846 2.9846 3.0317 3.0317 3.1194 3.1194 7.5579 7.5579 7.6010 7.6010 7.6448 7.6448 14.1153 14.1153 14.2463 14.2463 14.6886 14.6886 15.3707 15.3707 k = 0.4035 0.5000 0.4035 ( 3800 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4682 -32.4682 -23.9550 -23.9550 -23.9448 -23.9448 -14.3892 -14.3892 -14.2118 -14.2118 -14.2105 -14.2105 -8.6584 -8.6584 -8.1811 -8.1811 -8.0668 -8.0668 2.1071 2.1071 2.3825 2.3825 2.4588 2.4588 2.9962 2.9962 3.0503 3.0503 3.1517 3.1517 7.5316 7.5316 7.5811 7.5811 7.6339 7.6339 14.0551 14.0551 14.2125 14.2125 14.6480 14.6480 15.4096 15.4096 k = 0.3947 0.5000 0.3947 ( 3796 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4678 -32.4678 -23.9543 -23.9543 -23.9422 -23.9422 -14.3891 -14.3891 -14.2118 -14.2118 -14.2103 -14.2103 -8.6731 -8.6731 -8.2096 -8.2096 -8.0745 -8.0745 2.1064 2.1064 2.4327 2.4327 2.5208 2.5208 3.0088 3.0088 3.0703 3.0703 3.1879 3.1879 7.5034 7.5034 7.5594 7.5594 7.6219 7.6219 13.9903 13.9903 14.1763 14.1763 14.6054 14.6054 15.4510 15.4510 k = 0.3860 0.5000 0.3860 ( 3794 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4674 -32.4674 -23.9535 -23.9535 -23.9394 -23.9394 -14.3891 -14.3891 -14.2119 -14.2119 -14.2101 -14.2101 -8.6893 -8.6893 -8.2397 -8.2397 -8.0825 -8.0825 2.1057 2.1057 2.4865 2.4865 2.5872 2.5872 3.0226 3.0226 3.0917 3.0917 3.2278 3.2278 7.4733 7.4733 7.5358 7.5358 7.6089 7.6089 13.9211 13.9211 14.1378 14.1378 14.5613 14.5613 15.4947 15.4947 k = 0.3772 0.5000 0.3772 ( 3790 PWs) bands (ev): -59.5227 -59.5227 -42.3419 -42.3419 -32.4670 -32.4670 -23.9527 -23.9527 -23.9365 -23.9365 -14.3890 -14.3890 -14.2119 -14.2119 -14.2099 -14.2099 -8.7070 -8.7070 -8.2713 -8.2713 -8.0906 -8.0906 2.1049 2.1049 2.5438 2.5438 2.6577 2.6577 3.0375 3.0375 3.1147 3.1147 3.2714 3.2714 7.4415 7.4415 7.5103 7.5103 7.5947 7.5947 13.8477 13.8477 14.0973 14.0973 14.5160 14.5160 15.5403 15.5403 k = 0.3684 0.5000 0.3684 ( 3782 PWs) bands (ev): -59.5227 -59.5227 -42.3419 -42.3419 -32.4665 -32.4665 -23.9519 -23.9519 -23.9333 -23.9333 -14.3888 -14.3888 -14.2120 -14.2120 -14.2096 -14.2096 -8.7262 -8.7262 -8.3042 -8.3042 -8.0988 -8.0988 2.1040 2.1040 2.6044 2.6044 2.7320 2.7320 3.0537 3.0537 3.1392 3.1392 3.3187 3.3187 7.4082 7.4082 7.4828 7.4828 7.5793 7.5793 13.7705 13.7705 14.0551 14.0551 14.4698 14.4698 15.5875 15.5875 k = 0.3596 0.5000 0.3596 ( 3790 PWs) bands (ev): -59.5227 -59.5227 -42.3420 -42.3420 -32.4660 -32.4660 -23.9510 -23.9510 -23.9300 -23.9300 -14.3888 -14.3888 -14.2121 -14.2121 -14.2094 -14.2094 -8.7470 -8.7470 -8.3381 -8.3381 -8.1069 -8.1069 2.1031 2.1031 2.6678 2.6678 2.8097 2.8097 3.0712 3.0712 3.1654 3.1654 3.3697 3.3697 7.3735 7.3735 7.4534 7.4534 7.5628 7.5628 13.6898 13.6898 14.0113 14.0113 14.4227 14.4227 15.6357 15.6357 k = 0.3509 0.5000 0.3509 ( 3790 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4655 -32.4655 -23.9500 -23.9500 -23.9266 -23.9266 -14.3887 -14.3887 -14.2122 -14.2122 -14.2092 -14.2092 -8.7694 -8.7694 -8.3729 -8.3729 -8.1150 -8.1150 2.1022 2.1022 2.7339 2.7339 2.8905 2.8905 3.0903 3.0903 3.1932 3.1932 3.4246 3.4246 7.3377 7.3377 7.4221 7.4221 7.5450 7.5450 13.6059 13.6059 13.9663 13.9663 14.3750 14.3750 15.6845 15.6845 k = 0.3421 0.5000 0.3421 ( 3786 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4649 -32.4649 -23.9490 -23.9490 -23.9230 -23.9230 -14.3886 -14.3886 -14.2123 -14.2123 -14.2089 -14.2089 -8.7933 -8.7933 -8.4083 -8.4083 -8.1230 -8.1230 2.1012 2.1012 2.8024 2.8024 2.9739 2.9739 3.1114 3.1114 3.2226 3.2226 3.4833 3.4833 7.3008 7.3008 7.3889 7.3889 7.5260 7.5260 13.5190 13.5190 13.9204 13.9204 14.3270 14.3270 15.7334 15.7334 k = 0.3333 0.5000 0.3333 ( 3794 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4644 -32.4644 -23.9480 -23.9480 -23.9192 -23.9192 -14.3885 -14.3885 -14.2124 -14.2124 -14.2087 -14.2087 -8.8187 -8.8187 -8.4443 -8.4443 -8.1308 -8.1308 2.1002 2.1002 2.8726 2.8726 3.0585 3.0585 3.1355 3.1355 3.2538 3.2538 3.5460 3.5460 7.2631 7.2631 7.3537 7.3537 7.5058 7.5058 13.4294 13.4294 13.8738 13.8738 14.2786 14.2786 15.7816 15.7816 k = 0.3246 0.5000 0.3246 ( 3794 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4638 -32.4638 -23.9470 -23.9470 -23.9153 -23.9153 -14.3884 -14.3884 -14.2125 -14.2125 -14.2084 -14.2084 -8.8456 -8.8456 -8.4805 -8.4805 -8.1384 -8.1384 2.0991 2.0991 2.9438 2.9438 3.1369 3.1369 3.1699 3.1699 3.2872 3.2872 3.6129 3.6129 7.2247 7.2247 7.3167 7.3167 7.4842 7.4842 13.3374 13.3374 13.8269 13.8269 14.2301 14.2301 15.8287 15.8287 k = 0.3158 0.5000 0.3158 ( 3796 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4632 -32.4632 -23.9459 -23.9459 -23.9113 -23.9113 -14.3883 -14.3883 -14.2126 -14.2126 -14.2081 -14.2081 -8.8740 -8.8740 -8.5168 -8.5168 -8.1459 -8.1459 2.0981 2.0981 3.0149 3.0149 3.1807 3.1807 3.2427 3.2427 3.3238 3.3238 3.6840 3.6840 7.1858 7.1858 7.2777 7.2777 7.4614 7.4614 13.2433 13.2433 13.7798 13.7798 14.1816 14.1816 15.8739 15.8739 k = 0.3070 0.5000 0.3070 ( 3788 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4626 -32.4626 -23.9448 -23.9448 -23.9072 -23.9072 -14.3882 -14.3882 -14.2127 -14.2127 -14.2078 -14.2078 -8.9037 -8.9037 -8.5530 -8.5530 -8.1531 -8.1531 2.0970 2.0970 3.0834 3.0834 3.2168 3.2168 3.3221 3.3221 3.3699 3.3699 3.7595 3.7595 7.1466 7.1466 7.2368 7.2368 7.4373 7.4373 13.1472 13.1472 13.7329 13.7329 14.1332 14.1332 15.9166 15.9166 k = 0.2982 0.5000 0.2982 ( 3784 PWs) bands (ev): -59.5230 -59.5230 -42.3421 -42.3421 -32.4620 -32.4620 -23.9436 -23.9436 -23.9030 -23.9030 -14.3881 -14.3881 -14.2128 -14.2128 -14.2075 -14.2075 -8.9347 -8.9347 -8.5890 -8.5890 -8.1601 -8.1601 2.0958 2.0958 3.1451 3.1451 3.2611 3.2611 3.3786 3.3786 3.4433 3.4433 3.8393 3.8393 7.1072 7.1072 7.1942 7.1942 7.4118 7.4118 13.0495 13.0495 13.6863 13.6863 14.0850 14.0850 15.9561 15.9561 k = 0.2895 0.5000 0.2895 ( 3792 PWs) bands (ev): -59.5230 -59.5230 -42.3421 -42.3421 -32.4614 -32.4614 -23.9424 -23.9424 -23.8988 -23.8988 -14.3880 -14.3880 -14.2130 -14.2130 -14.2072 -14.2072 -8.9669 -8.9669 -8.6247 -8.6247 -8.1668 -8.1668 2.0947 2.0947 3.1962 3.1962 3.3178 3.3178 3.4217 3.4217 3.5329 3.5329 3.9236 3.9236 7.0679 7.0679 7.1497 7.1497 7.3849 7.3849 12.9503 12.9503 13.6403 13.6403 14.0371 14.0371 15.9918 15.9918 k = 0.2807 0.5000 0.2807 ( 3794 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4607 -32.4607 -23.9413 -23.9413 -23.8944 -23.8944 -14.3880 -14.3880 -14.2132 -14.2132 -14.2069 -14.2069 -9.0001 -9.0001 -8.6599 -8.6599 -8.1734 -8.1734 2.0935 2.0935 3.2382 3.2382 3.3852 3.3852 3.4637 3.4637 3.6263 3.6263 4.0124 4.0124 7.0286 7.0286 7.1035 7.1035 7.3567 7.3567 12.8498 12.8498 13.5951 13.5951 13.9896 13.9896 16.0231 16.0231 k = 0.2719 0.5000 0.2719 ( 3790 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4601 -32.4601 -23.9401 -23.9401 -23.8900 -23.8900 -14.3879 -14.3879 -14.2133 -14.2133 -14.2066 -14.2066 -9.0343 -9.0343 -8.6945 -8.6945 -8.1796 -8.1796 2.0923 2.0923 3.2756 3.2756 3.4576 3.4576 3.5078 3.5078 3.7211 3.7211 4.1054 4.1054 6.9896 6.9896 7.0557 7.0557 7.3271 7.3271 12.7483 12.7483 13.5508 13.5508 13.9426 13.9426 16.0497 16.0497 k = 0.2632 0.5000 0.2632 ( 3796 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4595 -32.4595 -23.9388 -23.9388 -23.8856 -23.8856 -14.3878 -14.3878 -14.2135 -14.2135 -14.2063 -14.2063 -9.0692 -9.0692 -8.7285 -8.7285 -8.1857 -8.1857 2.0912 2.0912 3.3114 3.3114 3.5259 3.5259 3.5605 3.5605 3.8166 3.8166 4.2025 4.2025 6.9508 6.9508 7.0065 7.0065 7.2961 7.2961 12.6458 12.6458 13.5076 13.5076 13.8963 13.8963 16.0713 16.0713 k = 0.2544 0.5000 0.2544 ( 3808 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4588 -32.4588 -23.9376 -23.9376 -23.8811 -23.8811 -14.3878 -14.3878 -14.2137 -14.2137 -14.2060 -14.2060 -9.1047 -9.1047 -8.7618 -8.7618 -8.1915 -8.1915 2.0900 2.0900 3.3471 3.3471 3.5796 3.5796 3.6307 3.6307 3.9125 3.9125 4.3032 4.3032 6.9120 6.9120 6.9564 6.9564 7.2638 7.2638 12.5425 12.5425 13.4656 13.4656 13.8507 13.8507 16.0877 16.0877 k = 0.2456 0.5000 0.2456 ( 3808 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4582 -32.4582 -23.9364 -23.9364 -23.8767 -23.8767 -14.3878 -14.3878 -14.2138 -14.2138 -14.2057 -14.2057 -9.1407 -9.1407 -8.7943 -8.7943 -8.1971 -8.1971 2.0888 2.0888 3.3833 3.3833 3.6268 3.6268 3.7092 3.7092 4.0086 4.0086 4.4074 4.4074 6.8720 6.8720 6.9069 6.9069 7.2301 7.2301 12.4387 12.4387 13.4249 13.4249 13.8059 13.8059 16.0989 16.0989 k = 0.2368 0.5000 0.2368 ( 3802 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4575 -32.4575 -23.9352 -23.9352 -23.8722 -23.8722 -14.3877 -14.3877 -14.2140 -14.2140 -14.2053 -14.2053 -9.1769 -9.1769 -8.8260 -8.8260 -8.2025 -8.2025 2.0876 2.0876 3.4206 3.4206 3.6733 3.6733 3.7897 3.7897 4.1048 4.1048 4.5145 4.5145 6.8278 6.8278 6.8612 6.8612 7.1950 7.1950 12.3343 12.3343 13.3857 13.3857 13.7621 13.7621 16.1050 16.1050 k = 0.2281 0.5000 0.2281 ( 3798 PWs) bands (ev): -59.5233 -59.5233 -42.3422 -42.3422 -32.4568 -32.4568 -23.9339 -23.9339 -23.8677 -23.8677 -14.3876 -14.3876 -14.2141 -14.2141 -14.2049 -14.2049 -9.2132 -9.2132 -8.8569 -8.8569 -8.2077 -8.2077 2.0864 2.0864 3.4591 3.4591 3.7203 3.7203 3.8709 3.8709 4.2009 4.2009 4.6240 4.6240 6.7768 6.7768 6.8221 6.8221 7.1587 7.1587 12.2297 12.2297 13.3480 13.3480 13.7194 13.7194 16.1064 16.1064 k = 0.2193 0.5000 0.2193 ( 3794 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4562 -32.4562 -23.9327 -23.9327 -23.8632 -23.8632 -14.3876 -14.3876 -14.2143 -14.2143 -14.2046 -14.2046 -9.2494 -9.2494 -8.8869 -8.8869 -8.2127 -8.2127 2.0852 2.0852 3.4988 3.4988 3.7681 3.7681 3.9519 3.9519 4.2968 4.2968 4.7355 4.7355 6.7211 6.7211 6.7879 6.7879 7.1210 7.1210 12.1248 12.1248 13.3118 13.3118 13.6778 13.6778 16.1032 16.1032 k = 0.2105 0.5000 0.2105 ( 3794 PWs) bands (ev): -59.5234 -59.5234 -42.3422 -42.3422 -32.4555 -32.4555 -23.9315 -23.9315 -23.8588 -23.8588 -14.3875 -14.3875 -14.2145 -14.2145 -14.2042 -14.2042 -9.2854 -9.2854 -8.9160 -8.9160 -8.2175 -8.2175 2.0841 2.0841 3.5399 3.5399 3.8166 3.8166 4.0325 4.0325 4.3923 4.3923 4.8485 4.8485 6.6626 6.6626 6.7569 6.7569 7.0821 7.0821 12.0199 12.0199 13.2772 13.2772 13.6374 13.6374 16.0960 16.0960 k = 0.2018 0.5000 0.2018 ( 3790 PWs) bands (ev): -59.5234 -59.5234 -42.3423 -42.3423 -32.4549 -32.4549 -23.9303 -23.9303 -23.8544 -23.8544 -14.3875 -14.3875 -14.2146 -14.2146 -14.2039 -14.2039 -9.3210 -9.3210 -8.9441 -8.9441 -8.2222 -8.2222 2.0830 2.0830 3.5825 3.5825 3.8659 3.8659 4.1124 4.1124 4.4869 4.4869 4.9625 4.9625 6.6021 6.6021 6.7287 6.7287 7.0421 7.0421 11.9151 11.9151 13.2442 13.2442 13.5983 13.5983 16.0853 16.0853 k = 0.1930 0.5000 0.1930 ( 3794 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4543 -32.4543 -23.9291 -23.9291 -23.8501 -23.8501 -14.3875 -14.3875 -14.2149 -14.2149 -14.2036 -14.2036 -9.3560 -9.3560 -8.9714 -8.9714 -8.2266 -8.2266 2.0818 2.0818 3.6264 3.6264 3.9159 3.9159 4.1914 4.1914 4.5805 4.5805 5.0772 5.0772 6.5400 6.5400 6.7032 6.7032 7.0008 7.0008 11.8106 11.8106 13.2129 13.2129 13.5607 13.5607 16.0714 16.0714 k = 0.1842 0.5000 0.1842 ( 3782 PWs) bands (ev): -59.5235 -59.5235 -42.3423 -42.3423 -32.4536 -32.4536 -23.9279 -23.9279 -23.8459 -23.8459 -14.3875 -14.3875 -14.2150 -14.2150 -14.2032 -14.2032 -9.3904 -9.3904 -8.9977 -8.9977 -8.2309 -8.2309 2.0808 2.0808 3.6719 3.6719 3.9666 3.9666 4.2692 4.2692 4.6726 4.6726 5.1921 5.1921 6.4766 6.4766 6.6805 6.6805 6.9585 6.9585 11.7065 11.7065 13.1831 13.1831 13.5246 13.5246 16.0549 16.0549 k = 0.1754 0.5000 0.1754 ( 3778 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4530 -32.4530 -23.9268 -23.9268 -23.8417 -23.8417 -14.3874 -14.3874 -14.2151 -14.2151 -14.2029 -14.2029 -9.4239 -9.4239 -9.0230 -9.0230 -8.2349 -8.2349 2.0797 2.0797 3.7188 3.7188 4.0178 4.0178 4.3457 4.3457 4.7628 4.7628 5.3067 5.3067 6.4119 6.4119 6.6609 6.6609 6.9153 6.9153 11.6029 11.6029 13.1550 13.1550 13.4900 13.4900 16.0363 16.0363 k = 0.1667 0.5000 0.1667 ( 3768 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4524 -32.4524 -23.9257 -23.9257 -23.8377 -23.8377 -14.3874 -14.3874 -14.2153 -14.2153 -14.2025 -14.2025 -9.4565 -9.4565 -9.0472 -9.0472 -8.2388 -8.2388 2.0787 2.0787 3.7671 3.7671 4.0695 4.0695 4.4206 4.4206 4.8506 4.8506 5.4208 5.4208 6.3462 6.3462 6.6446 6.6446 6.8711 6.8711 11.5001 11.5001 13.1285 13.1285 13.4571 13.4571 16.0159 16.0159 k = 0.1579 0.5000 0.1579 ( 3780 PWs) bands (ev): -59.5236 -59.5236 -42.3423 -42.3423 -32.4519 -32.4519 -23.9246 -23.9246 -23.8338 -23.8338 -14.3875 -14.3875 -14.2155 -14.2155 -14.2022 -14.2022 -9.4880 -9.4880 -9.0704 -9.0704 -8.2426 -8.2426 2.0777 2.0777 3.8169 3.8169 4.1215 4.1215 4.4935 4.4935 4.9355 4.9355 5.5336 5.5336 6.2794 6.2794 6.6318 6.6318 6.8262 6.8262 11.3983 11.3983 13.1035 13.1035 13.4258 13.4258 15.9943 15.9943 k = 0.1491 0.5000 0.1491 ( 3784 PWs) bands (ev): -59.5237 -59.5237 -42.3423 -42.3423 -32.4514 -32.4514 -23.9236 -23.9236 -23.8301 -23.8301 -14.3875 -14.3875 -14.2157 -14.2157 -14.2020 -14.2020 -9.5183 -9.5183 -9.0926 -9.0926 -8.2461 -8.2461 2.0767 2.0767 3.8681 3.8681 4.1737 4.1737 4.5643 4.5643 5.0170 5.0170 5.6449 5.6449 6.2120 6.2120 6.6230 6.6230 6.7807 6.7807 11.2978 11.2978 13.0800 13.0800 13.3963 13.3963 15.9718 15.9718 k = 0.1404 0.5000 0.1404 ( 3776 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4508 -32.4508 -23.9226 -23.9226 -23.8264 -23.8264 -14.3875 -14.3875 -14.2159 -14.2159 -14.2016 -14.2016 -9.5474 -9.5474 -9.1137 -9.1137 -8.2495 -8.2495 2.0758 2.0758 3.9206 3.9206 4.2260 4.2260 4.6326 4.6326 5.0946 5.0946 5.7539 5.7539 6.1440 6.1440 6.6183 6.6183 6.7347 6.7347 11.1987 11.1987 13.0580 13.0580 13.3685 13.3685 15.9487 15.9487 k = 0.1316 0.5000 0.1316 ( 3780 PWs) bands (ev): -59.5237 -59.5237 -42.3424 -42.3424 -32.4503 -32.4503 -23.9216 -23.9216 -23.8229 -23.8229 -14.3875 -14.3875 -14.2160 -14.2160 -14.2014 -14.2014 -9.5752 -9.5752 -9.1336 -9.1336 -8.2527 -8.2527 2.0749 2.0749 3.9745 3.9745 4.2781 4.2781 4.6981 4.6981 5.1677 5.1677 5.8597 5.8597 6.0763 6.0763 6.6178 6.6178 6.6884 6.6884 11.1014 11.1014 13.0375 13.0375 13.3426 13.3426 15.9255 15.9255 k = 0.1228 0.5000 0.1228 ( 3776 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4499 -32.4499 -23.9207 -23.9207 -23.8196 -23.8196 -14.3875 -14.3875 -14.2162 -14.2162 -14.2011 -14.2011 -9.6015 -9.6015 -9.1524 -9.1524 -8.2557 -8.2557 2.0741 2.0741 4.0297 4.0297 4.3299 4.3299 4.7604 4.7604 5.2361 5.2361 5.9538 5.9538 6.0168 6.0168 6.6219 6.6219 6.6420 6.6420 11.0062 11.0062 13.0184 13.0184 13.3184 13.3184 15.9024 15.9024 k = 0.1140 0.5000 0.1140 ( 3776 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4494 -32.4494 -23.9199 -23.9199 -23.8165 -23.8165 -14.3876 -14.3876 -14.2163 -14.2163 -14.2008 -14.2008 -9.6262 -9.6262 -9.1700 -9.1700 -8.2585 -8.2585 2.0733 2.0733 4.0861 4.0861 4.3811 4.3811 4.8192 4.8192 5.2993 5.2993 5.9291 5.9291 6.0723 6.0723 6.5958 6.5958 6.6304 6.6304 10.9136 10.9136 13.0007 13.0007 13.2961 13.2961 15.8797 15.8797 k = 0.1053 0.5000 0.1053 ( 3788 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4490 -32.4490 -23.9191 -23.9191 -23.8136 -23.8136 -14.3877 -14.3877 -14.2166 -14.2166 -14.2006 -14.2006 -9.6495 -9.6495 -9.1864 -9.1864 -8.2612 -8.2612 2.0726 2.0726 4.1437 4.1437 4.4315 4.4315 4.8740 4.8740 5.3571 5.3571 5.8616 5.8616 6.1662 6.1662 6.5500 6.5500 6.6433 6.6433 10.8239 10.8239 12.9843 12.9843 13.2756 13.2756 15.8354 15.8354 k = 0.0965 0.5000 0.0965 ( 3796 PWs) bands (ev): -59.5238 -59.5238 -42.3424 -42.3424 -32.4487 -32.4487 -23.9183 -23.9183 -23.8108 -23.8108 -14.3877 -14.3877 -14.2167 -14.2167 -14.2004 -14.2004 -9.6710 -9.6710 -9.2016 -9.2016 -8.2636 -8.2636 2.0719 2.0719 4.2024 4.2024 4.4808 4.4808 4.9245 4.9245 5.4094 5.4094 5.7925 5.7925 6.2570 6.2570 6.5050 6.5050 6.6605 6.6605 10.7376 10.7376 12.9692 12.9692 13.2569 13.2569 15.7289 15.7289 k = 0.0877 0.5000 0.0877 ( 3796 PWs) bands (ev): -59.5239 -59.5239 -42.3424 -42.3424 -32.4483 -32.4483 -23.9176 -23.9176 -23.8083 -23.8083 -14.3878 -14.3878 -14.2168 -14.2168 -14.2002 -14.2002 -9.6909 -9.6909 -9.2155 -9.2155 -8.2659 -8.2659 2.0713 2.0713 4.2621 4.2621 4.5286 4.5286 4.9702 4.9702 5.4562 5.4562 5.7234 5.7234 6.3424 6.3424 6.4612 6.4612 6.6815 6.6815 10.6553 10.6553 12.9555 12.9555 13.2400 13.2400 15.6294 15.6294 k = 0.0789 0.5000 0.0789 ( 3800 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4480 -32.4480 -23.9170 -23.9170 -23.8060 -23.8060 -14.3878 -14.3878 -14.2170 -14.2170 -14.2001 -14.2001 -9.7090 -9.7090 -9.2282 -9.2282 -8.2679 -8.2679 2.0707 2.0707 4.3226 4.3226 4.5745 4.5745 5.0108 5.0108 5.4974 5.4974 5.6553 5.6553 6.4136 6.4136 6.4267 6.4267 6.7061 6.7061 10.5776 10.5776 12.9431 12.9431 13.2248 13.2248 15.5374 15.5374 k = 0.0702 0.5000 0.0702 ( 3796 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4477 -32.4477 -23.9164 -23.9164 -23.8039 -23.8039 -14.3879 -14.3879 -14.2171 -14.2171 -14.1999 -14.1999 -9.7254 -9.7254 -9.2396 -9.2396 -8.2698 -8.2698 2.0702 2.0702 4.3839 4.3839 4.6180 4.6180 5.0456 5.0456 5.5317 5.5317 5.5904 5.5904 6.3777 6.3777 6.4936 6.4936 6.7337 6.7337 10.5052 10.5052 12.9319 12.9319 13.2114 13.2114 15.4536 15.4536 k = 0.0614 0.5000 0.0614 ( 3794 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4474 -32.4474 -23.9159 -23.9159 -23.8020 -23.8020 -14.3879 -14.3879 -14.2172 -14.2172 -14.1997 -14.1997 -9.7399 -9.7399 -9.2497 -9.2497 -8.2714 -8.2714 2.0697 2.0697 4.4456 4.4456 4.6588 4.6588 5.0740 5.0740 5.5172 5.5172 5.5716 5.5716 6.3399 6.3399 6.5561 6.5561 6.7637 6.7637 10.4387 10.4387 12.9221 12.9221 13.1997 13.1997 15.3782 15.3782 k = 0.0526 0.5000 0.0526 ( 3804 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4472 -32.4472 -23.9154 -23.9154 -23.8004 -23.8004 -14.3879 -14.3879 -14.2173 -14.2173 -14.1996 -14.1996 -9.7525 -9.7525 -9.2585 -9.2585 -8.2728 -8.2728 2.0693 2.0693 4.5074 4.5074 4.6963 4.6963 5.0947 5.0947 5.4582 5.4582 5.5963 5.5963 6.3052 6.3052 6.6091 6.6091 6.7954 6.7954 10.3789 10.3789 12.9135 12.9135 13.1896 13.1896 15.3119 15.3119 k = 0.0439 0.5000 0.0439 ( 3804 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4470 -32.4470 -23.9151 -23.9151 -23.7990 -23.7990 -14.3880 -14.3880 -14.2174 -14.2174 -14.1995 -14.1995 -9.7632 -9.7632 -9.2660 -9.2660 -8.2740 -8.2740 2.0689 2.0689 4.5688 4.5688 4.7299 4.7299 5.1060 5.1060 5.4031 5.4031 5.6187 5.6187 6.2742 6.2742 6.6525 6.6525 6.8272 6.8272 10.3266 10.3266 12.9062 12.9062 13.1811 13.1811 15.2549 15.2549 k = 0.0351 0.5000 0.0351 ( 3796 PWs) bands (ev): -59.5239 -59.5239 -42.3425 -42.3425 -32.4468 -32.4468 -23.9147 -23.9147 -23.7978 -23.7978 -14.3880 -14.3880 -14.2174 -14.2174 -14.1994 -14.1994 -9.7721 -9.7721 -9.2721 -9.2721 -8.2750 -8.2750 2.0687 2.0687 4.6289 4.6289 4.7593 4.7593 5.1050 5.1050 5.3573 5.3573 5.6372 5.6372 6.2475 6.2475 6.6866 6.6866 6.8572 6.8572 10.2825 10.2825 12.9003 12.9003 13.1742 13.1742 15.2078 15.2078 k = 0.0263 0.5000 0.0263 ( 3792 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4467 -32.4467 -23.9145 -23.9145 -23.7969 -23.7969 -14.3880 -14.3880 -14.2174 -14.2174 -14.1993 -14.1993 -9.7789 -9.7789 -9.2769 -9.2769 -8.2758 -8.2758 2.0685 2.0685 4.6856 4.6856 4.7846 4.7846 5.0896 5.0896 5.3246 5.3246 5.6515 5.6515 6.2259 6.2259 6.7121 6.7121 6.8832 6.8832 10.2474 10.2474 12.8956 12.8956 13.1689 13.1689 15.1708 15.1708 k = 0.0175 0.5000 0.0175 ( 3796 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4466 -32.4466 -23.9143 -23.9143 -23.7963 -23.7963 -14.3880 -14.3880 -14.2175 -14.2175 -14.1992 -14.1992 -9.7839 -9.7839 -9.2803 -9.2803 -8.2764 -8.2764 2.0683 2.0683 4.7344 4.7344 4.8068 4.8068 5.0621 5.0621 5.3054 5.3054 5.6618 5.6618 6.2100 6.2100 6.7297 6.7297 6.9032 6.9032 10.2218 10.2218 12.8923 12.8923 13.1651 13.1651 15.1442 15.1442 k = 0.0088 0.5000 0.0088 ( 3804 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4466 -32.4466 -23.9142 -23.9142 -23.7959 -23.7959 -14.3880 -14.3880 -14.2175 -14.2175 -14.1992 -14.1992 -9.7868 -9.7868 -9.2823 -9.2823 -8.2767 -8.2767 2.0682 2.0682 4.7668 4.7668 4.8277 4.8277 5.0326 5.0326 5.2964 5.2964 5.6679 5.6679 6.2002 6.2002 6.7401 6.7401 6.9158 6.9158 10.2062 10.2062 12.8903 12.8903 13.1629 13.1629 15.1281 15.1281 k = 0.0000 0.5000-0.0000 ( 3804 PWs) bands (ev): -59.5240 -59.5240 -42.3425 -42.3425 -32.4465 -32.4465 -23.9142 -23.9142 -23.7958 -23.7958 -14.3880 -14.3880 -14.2176 -14.2176 -14.1992 -14.1992 -9.7878 -9.7878 -9.2830 -9.2830 -8.2768 -8.2768 2.0682 2.0682 4.7772 4.7772 4.8387 4.8387 5.0187 5.0187 5.2939 5.2939 5.6700 5.6700 6.1969 6.1969 6.7436 6.7436 6.9201 6.9201 10.2010 10.2010 12.8896 12.8896 13.1621 13.1621 15.1228 15.1228 k = 0.5000 0.5000-0.0000 ( 3836 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4586 -32.4586 -23.9661 -23.9661 -23.8490 -23.8490 -14.3875 -14.3875 -14.2162 -14.2162 -14.2028 -14.2028 -9.5324 -9.5324 -8.4184 -8.4184 -8.0339 -8.0339 2.0855 2.0855 2.0905 2.0905 2.7602 2.7602 4.8174 4.8174 4.8671 4.8671 5.7123 5.7123 5.7943 5.7943 6.0986 6.0986 7.6744 7.6744 12.9284 12.9284 13.1881 13.1881 14.5724 14.5724 16.1633 16.1633 k = 0.5000 0.5000 0.0125 ( 3796 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4586 -32.4586 -23.9660 -23.9660 -23.8491 -23.8491 -14.3873 -14.3873 -14.2161 -14.2161 -14.2026 -14.2026 -9.5307 -9.5307 -8.4182 -8.4182 -8.0339 -8.0339 2.0856 2.0856 2.0906 2.0906 2.7605 2.7605 4.8074 4.8074 4.8574 4.8574 5.7218 5.7218 5.8044 5.8044 6.0918 6.0918 7.6745 7.6745 12.9298 12.9298 13.1894 13.1894 14.5725 14.5725 16.1722 16.1722 k = 0.5000 0.5000 0.0250 ( 3796 PWs) bands (ev): -59.5232 -59.5232 -42.3422 -42.3422 -32.4586 -32.4586 -23.9660 -23.9660 -23.8496 -23.8496 -14.3873 -14.3873 -14.2161 -14.2161 -14.2027 -14.2027 -9.5257 -9.5257 -8.4179 -8.4179 -8.0338 -8.0338 2.0857 2.0857 2.0907 2.0907 2.7614 2.7614 4.7788 4.7788 4.8293 4.8293 5.7484 5.7484 5.8333 5.8333 6.0718 6.0718 7.6746 7.6746 12.9339 12.9339 13.1934 13.1934 14.5727 14.5727 16.1986 16.1986 k = 0.5000 0.5000 0.0375 ( 3780 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4587 -32.4587 -23.9659 -23.9659 -23.8505 -23.8505 -14.3873 -14.3873 -14.2159 -14.2159 -14.2027 -14.2027 -9.5174 -9.5174 -8.4174 -8.4174 -8.0337 -8.0337 2.0860 2.0860 2.0908 2.0908 2.7628 2.7628 4.7347 4.7347 4.7861 4.7861 5.7866 5.7866 5.8779 5.8779 6.0411 6.0411 7.6747 7.6747 12.9407 12.9407 13.2001 13.2001 14.5732 14.5732 16.2422 16.2422 k = 0.5000 0.5000 0.0500 ( 3780 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4588 -32.4588 -23.9659 -23.9659 -23.8517 -23.8517 -14.3873 -14.3873 -14.2159 -14.2159 -14.2028 -14.2028 -9.5058 -9.5058 -8.4166 -8.4166 -8.0335 -8.0335 2.0863 2.0863 2.0910 2.0910 2.7647 2.7647 4.6790 4.6790 4.7312 4.7312 5.8244 5.8244 5.9345 5.9345 6.0086 6.0086 7.6749 7.6749 12.9502 12.9502 13.2095 13.2095 14.5739 14.5739 16.3026 16.3026 k = 0.5000 0.5000 0.0625 ( 3788 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4590 -32.4590 -23.9658 -23.9658 -23.8532 -23.8532 -14.3874 -14.3874 -14.2158 -14.2158 -14.2030 -14.2030 -9.4911 -9.4911 -8.4156 -8.4156 -8.0333 -8.0333 2.0868 2.0868 2.0912 2.0912 2.7671 2.7671 4.6151 4.6151 4.6681 4.6681 5.8308 5.8308 5.9998 5.9998 6.0023 6.0023 7.6752 7.6752 12.9624 12.9624 13.2216 13.2216 14.5748 14.5748 16.3788 16.3788 k = 0.5000 0.5000 0.0750 ( 3788 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4592 -32.4592 -23.9656 -23.9656 -23.8551 -23.8551 -14.3874 -14.3874 -14.2158 -14.2158 -14.2031 -14.2031 -9.4731 -9.4731 -8.4143 -8.4143 -8.0331 -8.0331 2.0873 2.0873 2.0914 2.0914 2.7701 2.7701 4.5457 4.5457 4.5994 4.5994 5.7830 5.7830 6.0434 6.0434 6.0711 6.0711 7.6755 7.6755 12.9775 12.9775 13.2365 13.2365 14.5758 14.5758 16.4700 16.4700 k = 0.5000 0.5000 0.0875 ( 3788 PWs) bands (ev): -59.5232 -59.5232 -42.3421 -42.3421 -32.4594 -32.4594 -23.9655 -23.9655 -23.8572 -23.8572 -14.3874 -14.3874 -14.2157 -14.2157 -14.2033 -14.2033 -9.4522 -9.4522 -8.4128 -8.4128 -8.0328 -8.0328 2.0879 2.0879 2.0917 2.0917 2.7735 2.7735 4.4726 4.4726 4.5269 4.5269 5.7032 5.7032 6.1086 6.1086 6.1465 6.1465 7.6759 7.6759 12.9953 12.9953 13.2542 13.2542 14.5771 14.5771 16.5751 16.5751 k = 0.5000 0.5000 0.1000 ( 3788 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4596 -32.4596 -23.9653 -23.9653 -23.8597 -23.8597 -14.3875 -14.3875 -14.2156 -14.2156 -14.2035 -14.2035 -9.4283 -9.4283 -8.4110 -8.4110 -8.0324 -8.0324 2.0886 2.0886 2.0921 2.0921 2.7774 2.7774 4.3975 4.3975 4.4522 4.4522 5.6062 5.6062 6.1826 6.1826 6.2244 6.2244 7.6763 7.6763 13.0160 13.0160 13.2748 13.2748 14.5786 14.5786 16.6929 16.6929 k = 0.5000 0.5000 0.1125 ( 3796 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4600 -32.4600 -23.9652 -23.9652 -23.8624 -23.8624 -14.3876 -14.3876 -14.2155 -14.2155 -14.2038 -14.2038 -9.4016 -9.4016 -8.4089 -8.4089 -8.0320 -8.0320 2.0894 2.0894 2.0924 2.0924 2.7818 2.7818 4.3211 4.3211 4.3763 4.3763 5.4969 5.4969 6.2605 6.2605 6.3037 6.3037 7.6768 7.6768 13.0394 13.0394 13.2982 13.2982 14.5802 14.5802 16.6982 16.6982 k = 0.5000 0.5000 0.1250 ( 3804 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4603 -32.4603 -23.9650 -23.9650 -23.8654 -23.8654 -14.3877 -14.3877 -14.2154 -14.2154 -14.2041 -14.2041 -9.3722 -9.3722 -8.4065 -8.4065 -8.0316 -8.0316 2.0902 2.0902 2.0929 2.0929 2.7866 2.7866 4.2444 4.2444 4.2999 4.2999 5.3779 5.3779 6.3400 6.3400 6.3835 6.3835 7.6773 7.6773 13.0658 13.0658 13.3245 13.3245 14.5821 14.5821 16.6369 16.6369 k = 0.5000 0.5000 0.1375 ( 3796 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4606 -32.4606 -23.9648 -23.9648 -23.8687 -23.8687 -14.3877 -14.3877 -14.2152 -14.2152 -14.2043 -14.2043 -9.3403 -9.3403 -8.4038 -8.4038 -8.0312 -8.0312 2.0912 2.0912 2.0933 2.0933 2.7918 2.7918 4.1680 4.1680 4.2237 4.2237 5.2508 5.2508 6.4201 6.4201 6.4632 6.4632 7.6779 7.6779 13.0952 13.0952 13.3538 13.3538 14.5842 14.5842 16.5725 16.5725 k = 0.5000 0.5000 0.1500 ( 3780 PWs) bands (ev): -59.5231 -59.5231 -42.3421 -42.3421 -32.4609 -32.4609 -23.9645 -23.9645 -23.8721 -23.8721 -14.3877 -14.3877 -14.2150 -14.2150 -14.2045 -14.2045 -9.3060 -9.3060 -8.4006 -8.4006 -8.0307 -8.0307 2.0922 2.0922 2.0938 2.0938 2.7974 2.7974 4.0921 4.0921 4.1481 4.1481 5.1169 5.1169 6.5000 6.5000 6.5423 6.5423 7.6785 7.6785 13.1275 13.1275 13.3860 13.3860 14.5866 14.5866 16.5054 16.5054 k = 0.5000 0.5000 0.1625 ( 3780 PWs) bands (ev): -59.5230 -59.5230 -42.3421 -42.3421 -32.4613 -32.4613 -23.9643 -23.9643 -23.8757 -23.8757 -14.3878 -14.3878 -14.2149 -14.2149 -14.2048 -14.2048 -9.2697 -9.2697 -8.3971 -8.3971 -8.0302 -8.0302 2.0933 2.0933 2.0943 2.0943 2.8033 2.8033 4.0173 4.0173 4.0735 4.0735 4.9776 4.9776 6.5789 6.5789 6.6202 6.6202 7.6791 7.6791 13.1627 13.1627 13.4211 13.4211 14.5892 14.5892 16.4364 16.4364 k = 0.5000 0.5000 0.1750 ( 3780 PWs) bands (ev): -59.5230 -59.5230 -42.3421 -42.3421 -32.4617 -32.4617 -23.9641 -23.9641 -23.8795 -23.8795 -14.3878 -14.3878 -14.2147 -14.2147 -14.2051 -14.2051 -9.2315 -9.2315 -8.3930 -8.3930 -8.0296 -8.0296 2.0944 2.0944 2.0948 2.0948 2.8095 2.8095 3.9436 3.9436 4.0002 4.0002 4.8338 4.8338 6.6565 6.6565 6.6967 6.6967 7.6797 7.6797 13.2009 13.2009 13.4592 13.4592 14.5921 14.5921 16.3660 16.3660 k = 0.5000 0.5000 0.1875 ( 3796 PWs) bands (ev): -59.5230 -59.5230 -42.3421 -42.3421 -32.4622 -32.4622 -23.9638 -23.9638 -23.8835 -23.8835 -14.3880 -14.3880 -14.2146 -14.2146 -14.2055 -14.2055 -9.1917 -9.1917 -8.3884 -8.3884 -8.0291 -8.0291 2.0954 2.0954 2.0955 2.0955 2.8160 2.8160 3.8715 3.8715 3.9283 3.9283 4.6867 4.6867 6.7324 6.7324 6.7713 6.7713 7.6804 7.6804 13.2420 13.2420 13.5000 13.5000 14.5954 14.5954 16.2947 16.2947 k = 0.5000 0.5000 0.2000 ( 3788 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4626 -32.4626 -23.9635 -23.9635 -23.8876 -23.8876 -14.3880 -14.3880 -14.2144 -14.2144 -14.2058 -14.2058 -9.1505 -9.1505 -8.3832 -8.3832 -8.0285 -8.0285 2.0959 2.0959 2.0967 2.0967 2.8227 2.8227 3.8011 3.8011 3.8583 3.8583 4.5373 4.5373 6.8064 6.8064 6.8438 6.8438 7.6811 7.6811 13.2861 13.2861 13.5436 13.5436 14.5989 14.5989 16.2230 16.2230 k = 0.5000 0.5000 0.2125 ( 3788 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4630 -32.4630 -23.9633 -23.9633 -23.8917 -23.8917 -14.3881 -14.3881 -14.2142 -14.2142 -14.2061 -14.2061 -9.1083 -9.1083 -8.3772 -8.3772 -8.0279 -8.0279 2.0965 2.0965 2.0979 2.0979 2.8296 2.8296 3.7324 3.7324 3.7901 3.7901 4.3866 4.3866 6.8780 6.8780 6.9140 6.9140 7.6819 7.6819 13.3329 13.3329 13.5898 13.5898 14.6028 14.6028 16.1515 16.1515 k = 0.5000 0.5000 0.2250 ( 3780 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4635 -32.4635 -23.9630 -23.9630 -23.8960 -23.8960 -14.3882 -14.3882 -14.2141 -14.2141 -14.2064 -14.2064 -9.0655 -9.0655 -8.3703 -8.3703 -8.0273 -8.0273 2.0971 2.0971 2.0991 2.0991 2.8366 2.8366 3.6656 3.6656 3.7241 3.7241 4.2356 4.2356 6.9472 6.9472 6.9816 6.9816 7.6826 7.6826 13.3825 13.3825 13.6383 13.6383 14.6072 14.6072 16.0804 16.0804 k = 0.5000 0.5000 0.2375 ( 3780 PWs) bands (ev): -59.5229 -59.5229 -42.3420 -42.3420 -32.4639 -32.4639 -23.9627 -23.9627 -23.9003 -23.9003 -14.3883 -14.3883 -14.2139 -14.2139 -14.2067 -14.2067 -9.0225 -9.0225 -8.3625 -8.3625 -8.0267 -8.0267 2.0977 2.0977 2.1004 2.1004 2.8438 2.8438 3.6007 3.6007 3.6603 3.6603 4.0852 4.0852 7.0137 7.0137 7.0466 7.0466 7.6834 7.6834 13.4347 13.4347 13.6891 13.6891 14.6120 14.6120 16.0103 16.0103 k = 0.5000 0.5000 0.2500 ( 3772 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4644 -32.4644 -23.9624 -23.9624 -23.9046 -23.9046 -14.3883 -14.3883 -14.2137 -14.2137 -14.2070 -14.2070 -8.9796 -8.9796 -8.3536 -8.3536 -8.0261 -8.0261 2.0983 2.0983 2.1017 2.1017 2.8509 2.8509 3.5376 3.5376 3.5988 3.5988 3.9364 3.9364 7.0774 7.0774 7.1087 7.1087 7.6842 7.6842 13.4892 13.4892 13.7417 13.7417 14.6174 14.6174 15.9414 15.9414 k = 0.5000 0.5000 0.2625 ( 3784 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4649 -32.4649 -23.9621 -23.9621 -23.9089 -23.9089 -14.3885 -14.3885 -14.2136 -14.2136 -14.2074 -14.2074 -8.9374 -8.9374 -8.3433 -8.3433 -8.0255 -8.0255 2.0989 2.0989 2.1029 2.1029 2.8581 2.8581 3.4760 3.4760 3.5398 3.5398 3.7905 3.7905 7.1381 7.1381 7.1678 7.1678 7.6849 7.6849 13.5459 13.5459 13.7958 13.7958 14.6235 14.6235 15.8740 15.8740 k = 0.5000 0.5000 0.2750 ( 3784 PWs) bands (ev): -59.5228 -59.5228 -42.3420 -42.3420 -32.4653 -32.4653 -23.9619 -23.9619 -23.9132 -23.9132 -14.3886 -14.3886 -14.2134 -14.2134 -14.2078 -14.2078 -8.8963 -8.8963 -8.3315 -8.3315 -8.0248 -8.0248 2.0995 2.0995 2.1041 2.1041 2.8652 2.8652 3.4147 3.4147 3.4833 3.4833 3.6492 3.6492 7.1956 7.1956 7.2238 7.2238 7.6857 7.6857 13.6045 13.6045 13.8509 13.8509 14.6304 14.6304 15.8086 15.8086 k = 0.5000 0.5000 0.2875 ( 3780 PWs) bands (ev): -59.5227 -59.5227 -42.3420 -42.3420 -32.4658 -32.4658 -23.9616 -23.9616 -23.9174 -23.9174 -14.3886 -14.3886 -14.2132 -14.2132 -14.2081 -14.2081 -8.8568 -8.8568 -8.3180 -8.3180 -8.0242 -8.0242 2.1000 2.1000 2.1054 2.1054 2.8723 2.8723 3.3510 3.3510 3.4295 3.4295 3.5163 3.5163 7.2501 7.2501 7.2767 7.2767 7.6864 7.6864 13.6646 13.6646 13.9067 13.9067 14.6383 14.6383 15.7453 15.7453 k = 0.5000 0.5000 0.3000 ( 3788 PWs) bands (ev): -59.5227 -59.5227 -42.3420 -42.3420 -32.4662 -32.4662 -23.9613 -23.9613 -23.9215 -23.9215 -14.3888 -14.3888 -14.2130 -14.2130 -14.2084 -14.2084 -8.8195 -8.8195 -8.3027 -8.3027 -8.0236 -8.0236 2.1006 2.1006 2.1065 2.1065 2.8792 2.8792 3.2762 3.2762 3.3784 3.3784 3.4012 3.4012 7.3013 7.3013 7.3265 7.3265 7.6872 7.6872 13.7260 13.7260 13.9624 13.9624 14.6473 14.6473 15.6844 15.6844 k = 0.5000 0.5000 0.3125 ( 3784 PWs) bands (ev): -59.5227 -59.5227 -42.3419 -42.3419 -32.4667 -32.4667 -23.9610 -23.9610 -23.9255 -23.9255 -14.3888 -14.3888 -14.2129 -14.2129 -14.2087 -14.2087 -8.7847 -8.7847 -8.2855 -8.2855 -8.0230 -8.0230 2.1011 2.1011 2.1077 2.1077 2.8859 2.8859 3.1782 3.1782 3.3167 3.3167 3.3302 3.3302 7.3492 7.3492 7.3730 7.3730 7.6879 7.6879 13.7880 13.7880 14.0174 14.0174 14.6576 14.6576 15.6261 15.6261 k = 0.5000 0.5000 0.3250 ( 3784 PWs) bands (ev): -59.5227 -59.5227 -42.3419 -42.3419 -32.4671 -32.4671 -23.9608 -23.9608 -23.9294 -23.9294 -14.3889 -14.3889 -14.2127 -14.2127 -14.2091 -14.2091 -8.7529 -8.7529 -8.2663 -8.2663 -8.0225 -8.0225 2.1017 2.1017 2.1088 2.1088 2.8924 2.8924 3.0641 3.0641 3.2562 3.2562 3.2848 3.2848 7.3938 7.3938 7.4163 7.4163 7.6886 7.6886 13.8503 13.8503 14.0709 14.0709 14.6696 14.6696 15.5707 15.5707 k = 0.5000 0.5000 0.3375 ( 3784 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4675 -32.4675 -23.9605 -23.9605 -23.9331 -23.9331 -14.3890 -14.3890 -14.2126 -14.2126 -14.2093 -14.2093 -8.7242 -8.7242 -8.2452 -8.2452 -8.0219 -8.0219 2.1021 2.1021 2.1099 2.1099 2.8985 2.8985 2.9476 2.9476 3.2070 3.2070 3.2424 3.2424 7.4352 7.4352 7.4564 7.4564 7.6893 7.6893 13.9124 13.9124 14.1222 14.1222 14.6834 14.6834 15.5182 15.5182 k = 0.5000 0.5000 0.3500 ( 3792 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4679 -32.4679 -23.9603 -23.9603 -23.9366 -23.9366 -14.3891 -14.3891 -14.2125 -14.2125 -14.2096 -14.2096 -8.6989 -8.6989 -8.2226 -8.2226 -8.0214 -8.0214 2.1026 2.1026 2.1109 2.1109 2.8343 2.8343 2.9043 2.9043 3.1639 3.1639 3.2031 3.2031 7.4732 7.4732 7.4933 7.4933 7.6900 7.6900 13.9737 13.9737 14.1705 14.1705 14.6992 14.6992 15.4690 15.4690 k = 0.5000 0.5000 0.3625 ( 3796 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4682 -32.4682 -23.9601 -23.9601 -23.9400 -23.9400 -14.3892 -14.3892 -14.2123 -14.2123 -14.2099 -14.2099 -8.6768 -8.6768 -8.1988 -8.1988 -8.0209 -8.0209 2.1031 2.1031 2.1118 2.1118 2.7266 2.7266 2.9096 2.9096 3.1253 3.1253 3.1669 3.1669 7.5080 7.5080 7.5270 7.5270 7.6907 7.6907 14.0335 14.0335 14.2148 14.2148 14.7173 14.7173 15.4231 15.4231 k = 0.5000 0.5000 0.3750 ( 3788 PWs) bands (ev): -59.5226 -59.5226 -42.3419 -42.3419 -32.4686 -32.4686 -23.9599 -23.9599 -23.9431 -23.9431 -14.3893 -14.3893 -14.2121 -14.2121 -14.2102 -14.2102 -8.6578 -8.6578 -8.1744 -8.1744 -8.0205 -8.0205 2.1035 2.1035 2.1127 2.1127 2.6256 2.6256 2.9145 2.9145 3.0904 3.0904 3.1338 3.1338 7.5395 7.5395 7.5576 7.5576 7.6913 7.6913 14.0913 14.0913 14.2548 14.2548 14.7376 14.7376 15.3808 15.3808 k = 0.5000 0.5000 0.3875 ( 3788 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4689 -32.4689 -23.9597 -23.9597 -23.9459 -23.9459 -14.3893 -14.3893 -14.2120 -14.2120 -14.2104 -14.2104 -8.6417 -8.6417 -8.1499 -8.1499 -8.0201 -8.0201 2.1039 2.1039 2.1135 2.1135 2.5323 2.5323 2.9188 2.9188 3.0590 3.0590 3.1040 3.1040 7.5678 7.5678 7.5851 7.5851 7.6920 7.6920 14.1463 14.1463 14.2898 14.2898 14.7598 14.7598 15.3420 15.3420 k = 0.5000 0.5000 0.4000 ( 3788 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4692 -32.4692 -23.9595 -23.9595 -23.9485 -23.9485 -14.3894 -14.3894 -14.2119 -14.2119 -14.2106 -14.2106 -8.6281 -8.6281 -8.1260 -8.1260 -8.0197 -8.0197 2.1042 2.1042 2.1142 2.1142 2.4472 2.4472 2.9225 2.9225 3.0310 3.0310 3.0776 3.0776 7.5929 7.5929 7.6095 7.6095 7.6926 7.6926 14.1979 14.1979 14.3198 14.3198 14.7835 14.7835 15.3070 15.3070 k = 0.5000 0.5000 0.4125 ( 3804 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4695 -32.4695 -23.9593 -23.9593 -23.9509 -23.9509 -14.3895 -14.3895 -14.2119 -14.2119 -14.2108 -14.2108 -8.6169 -8.6169 -8.1032 -8.1032 -8.0193 -8.0193 2.1045 2.1045 2.1148 2.1148 2.3709 2.3709 2.9253 2.9253 3.0063 3.0063 3.0546 3.0546 7.6149 7.6149 7.6309 7.6309 7.6932 7.6932 14.2454 14.2454 14.3448 14.3448 14.8077 14.8077 15.2758 15.2758 k = 0.5000 0.5000 0.4250 ( 3804 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4697 -32.4697 -23.9592 -23.9592 -23.9530 -23.9530 -14.3896 -14.3896 -14.2118 -14.2118 -14.2110 -14.2110 -8.6077 -8.6077 -8.0823 -8.0823 -8.0190 -8.0190 2.1048 2.1048 2.1153 2.1153 2.3038 2.3038 2.9273 2.9273 2.9850 2.9850 3.0351 3.0351 7.6336 7.6336 7.6494 7.6494 7.6939 7.6939 14.2882 14.2882 14.3653 14.3653 14.8316 14.8316 15.2486 15.2486 k = 0.5000 0.5000 0.4375 ( 3808 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4699 -32.4699 -23.9591 -23.9591 -23.9547 -23.9547 -14.3896 -14.3896 -14.2118 -14.2118 -14.2111 -14.2111 -8.6004 -8.6004 -8.0637 -8.0637 -8.0188 -8.0188 2.1050 2.1050 2.1156 2.1156 2.2465 2.2465 2.9284 2.9284 2.9669 2.9669 3.0193 3.0193 7.6492 7.6492 7.6649 7.6649 7.6946 7.6946 14.3256 14.3256 14.3816 14.3816 14.8541 14.8541 15.2254 15.2254 k = 0.5000 0.5000 0.4500 ( 3824 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4701 -32.4701 -23.9590 -23.9590 -23.9562 -23.9562 -14.3897 -14.3897 -14.2117 -14.2117 -14.2113 -14.2113 -8.5946 -8.5946 -8.0478 -8.0478 -8.0185 -8.0185 2.1051 2.1051 2.1156 2.1156 2.1993 2.1993 2.9285 2.9285 2.9521 2.9521 3.0071 3.0071 7.6616 7.6616 7.6775 7.6775 7.6956 7.6956 14.3570 14.3570 14.3942 14.3942 14.8740 14.8740 15.2063 15.2063 k = 0.5000 0.5000 0.4625 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4702 -32.4702 -23.9589 -23.9589 -23.9574 -23.9574 -14.3898 -14.3898 -14.2117 -14.2117 -14.2115 -14.2115 -8.5902 -8.5902 -8.0350 -8.0350 -8.0184 -8.0184 2.1053 2.1053 2.1151 2.1151 2.1628 2.1628 2.9279 2.9279 2.9406 2.9406 2.9983 2.9983 7.6707 7.6707 7.6873 7.6873 7.6968 7.6968 14.3821 14.3821 14.4036 14.4036 14.8906 14.8906 15.1913 15.1913 k = 0.5000 0.5000 0.4750 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4703 -32.4703 -23.9589 -23.9589 -23.9582 -23.9582 -14.3899 -14.3899 -14.2117 -14.2117 -14.2116 -14.2116 -8.5872 -8.5872 -8.0257 -8.0257 -8.0183 -8.0183 2.1054 2.1054 2.1131 2.1131 2.1382 2.1382 2.9269 2.9269 2.9323 2.9323 2.9926 2.9926 7.6767 7.6767 7.6942 7.6942 7.6981 7.6981 14.4003 14.4003 14.4100 14.4100 14.9030 14.9030 15.1806 15.1806 k = 0.5000 0.5000 0.4875 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4704 -32.4704 -23.9589 -23.9589 -23.9587 -23.9587 -14.3899 -14.3899 -14.2117 -14.2117 -14.2116 -14.2116 -8.5855 -8.5855 -8.0201 -8.0201 -8.0182 -8.0182 2.1054 2.1054 2.1084 2.1084 2.1270 2.1270 2.9261 2.9261 2.9274 2.9274 2.9894 2.9894 7.6799 7.6799 7.6984 7.6984 7.6993 7.6993 14.4113 14.4113 14.4138 14.4138 14.9107 14.9107 15.1741 15.1741 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -59.5225 -59.5225 -42.3419 -42.3419 -32.4704 -32.4704 -23.9588 -23.9588 -23.9588 -23.9588 -14.3899 -14.3899 -14.2116 -14.2116 -14.2116 -14.2116 -8.5849 -8.5849 -8.0182 -8.0182 -8.0182 -8.0182 2.1055 2.1055 2.1055 2.1055 2.1246 2.1246 2.9258 2.9258 2.9258 2.9258 2.9884 2.9884 7.6809 7.6809 7.6998 7.6998 7.6998 7.6998 14.4150 14.4150 14.4150 14.4150 14.9133 14.9133 15.1719 15.1719 Writing output data file NaTaO3.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 99.34s CPU 101.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 99.33s CPU 101.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 310 calls) cegterg : 90.85s CPU 92.14s WALL ( 336 calls) Called by sum_band: Called by *egterg: h_psi : 53.62s CPU 54.61s WALL ( 5374 calls) s_psi : 1.86s CPU 1.79s WALL ( 5374 calls) g_psi : 0.14s CPU 0.16s WALL ( 4728 calls) cdiaghg : 32.19s CPU 32.80s WALL ( 5038 calls) cegterg:over : 3.68s CPU 3.64s WALL ( 4728 calls) cegterg:upda : 2.84s CPU 2.82s WALL ( 4728 calls) cegterg:last : 1.83s CPU 1.84s WALL ( 956 calls) cdiaghg:chol : 1.73s CPU 1.78s WALL ( 5038 calls) cdiaghg:inve : 1.23s CPU 1.20s WALL ( 5038 calls) cdiaghg:para : 1.76s CPU 1.87s WALL ( 10076 calls) Called by h_psi: h_psi:vloc : 48.90s CPU 49.76s WALL ( 5374 calls) h_psi:vnl : 4.59s CPU 4.71s WALL ( 5374 calls) add_vuspsi : 2.18s CPU 2.16s WALL ( 5374 calls) General routines calbec : 2.40s CPU 2.53s WALL ( 5374 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.99s CPU 46.91s WALL ( 596776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 620 calls) Parallel routines fft_scatter : 16.64s CPU 17.07s WALL ( 596799 calls) PWSCF : 1m52.78s CPU 2m 5.31s WALL This run was terminated on: 20:57: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=