Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:39:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KTaO3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 23 7 1162 505 85 Max 41 24 8 1167 526 88 Sum 1465 853 261 41923 18613 3119 bravais-lattice index = 14 lattice parameter (alat) = 7.5230 a.u. unit-cell volume = 425.7680 (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 = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.522999 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 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 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ta 13.00 180.94790 Ta( 1.00) K 9.00 39.09830 K( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 41923 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18613 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 140, 48) NL pseudopotentials 0.12 Mb ( 70, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1164) G-vector shells 0.00 Mb ( 281) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 140, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./KTaO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 7.9 secs Computing kpt #: 19 total cpu time spent up to now is 8.2 secs Computing kpt #: 20 total cpu time spent up to now is 8.5 secs Computing kpt #: 21 total cpu time spent up to now is 8.8 secs Computing kpt #: 22 total cpu time spent up to now is 9.2 secs Computing kpt #: 23 total cpu time spent up to now is 9.5 secs Computing kpt #: 24 total cpu time spent up to now is 9.8 secs Computing kpt #: 25 total cpu time spent up to now is 10.1 secs Computing kpt #: 26 total cpu time spent up to now is 10.4 secs Computing kpt #: 27 total cpu time spent up to now is 10.7 secs Computing kpt #: 28 total cpu time spent up to now is 10.9 secs Computing kpt #: 29 total cpu time spent up to now is 11.2 secs Computing kpt #: 30 total cpu time spent up to now is 11.5 secs Computing kpt #: 31 total cpu time spent up to now is 11.7 secs Computing kpt #: 32 total cpu time spent up to now is 12.0 secs Computing kpt #: 33 total cpu time spent up to now is 12.2 secs Computing kpt #: 34 total cpu time spent up to now is 12.5 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 13.0 secs Computing kpt #: 37 total cpu time spent up to now is 13.2 secs Computing kpt #: 38 total cpu time spent up to now is 13.5 secs Computing kpt #: 39 total cpu time spent up to now is 13.7 secs Computing kpt #: 40 total cpu time spent up to now is 14.0 secs Computing kpt #: 41 total cpu time spent up to now is 14.2 secs Computing kpt #: 42 total cpu time spent up to now is 14.5 secs Computing kpt #: 43 total cpu time spent up to now is 14.7 secs Computing kpt #: 44 total cpu time spent up to now is 14.9 secs Computing kpt #: 45 total cpu time spent up to now is 15.2 secs Computing kpt #: 46 total cpu time spent up to now is 15.5 secs Computing kpt #: 47 total cpu time spent up to now is 15.7 secs Computing kpt #: 48 total cpu time spent up to now is 16.0 secs Computing kpt #: 49 total cpu time spent up to now is 16.2 secs Computing kpt #: 50 total cpu time spent up to now is 16.5 secs Computing kpt #: 51 total cpu time spent up to now is 16.8 secs Computing kpt #: 52 total cpu time spent up to now is 17.0 secs Computing kpt #: 53 total cpu time spent up to now is 17.3 secs Computing kpt #: 54 total cpu time spent up to now is 17.6 secs Computing kpt #: 55 total cpu time spent up to now is 17.8 secs Computing kpt #: 56 total cpu time spent up to now is 18.1 secs Computing kpt #: 57 total cpu time spent up to now is 18.4 secs Computing kpt #: 58 total cpu time spent up to now is 18.6 secs Computing kpt #: 59 total cpu time spent up to now is 18.9 secs Computing kpt #: 60 total cpu time spent up to now is 19.1 secs Computing kpt #: 61 total cpu time spent up to now is 19.4 secs Computing kpt #: 62 total cpu time spent up to now is 19.7 secs Computing kpt #: 63 total cpu time spent up to now is 19.9 secs Computing kpt #: 64 total cpu time spent up to now is 20.2 secs Computing kpt #: 65 total cpu time spent up to now is 20.4 secs Computing kpt #: 66 total cpu time spent up to now is 20.7 secs Computing kpt #: 67 total cpu time spent up to now is 20.9 secs Computing kpt #: 68 total cpu time spent up to now is 21.1 secs Computing kpt #: 69 total cpu time spent up to now is 21.4 secs Computing kpt #: 70 total cpu time spent up to now is 21.6 secs Computing kpt #: 71 total cpu time spent up to now is 21.9 secs Computing kpt #: 72 total cpu time spent up to now is 22.1 secs Computing kpt #: 73 total cpu time spent up to now is 22.3 secs Computing kpt #: 74 total cpu time spent up to now is 22.6 secs Computing kpt #: 75 total cpu time spent up to now is 22.8 secs Computing kpt #: 76 total cpu time spent up to now is 23.0 secs Computing kpt #: 77 total cpu time spent up to now is 23.3 secs Computing kpt #: 78 total cpu time spent up to now is 23.5 secs Computing kpt #: 79 total cpu time spent up to now is 23.7 secs Computing kpt #: 80 total cpu time spent up to now is 24.0 secs Computing kpt #: 81 total cpu time spent up to now is 24.2 secs Computing kpt #: 82 total cpu time spent up to now is 24.5 secs Computing kpt #: 83 total cpu time spent up to now is 24.7 secs Computing kpt #: 84 total cpu time spent up to now is 24.9 secs Computing kpt #: 85 total cpu time spent up to now is 25.2 secs Computing kpt #: 86 total cpu time spent up to now is 25.4 secs Computing kpt #: 87 total cpu time spent up to now is 25.7 secs Computing kpt #: 88 total cpu time spent up to now is 25.9 secs Computing kpt #: 89 total cpu time spent up to now is 26.2 secs Computing kpt #: 90 total cpu time spent up to now is 26.4 secs Computing kpt #: 91 total cpu time spent up to now is 26.6 secs Computing kpt #: 92 total cpu time spent up to now is 26.9 secs Computing kpt #: 93 total cpu time spent up to now is 27.1 secs Computing kpt #: 94 total cpu time spent up to now is 27.4 secs Computing kpt #: 95 total cpu time spent up to now is 27.6 secs Computing kpt #: 96 total cpu time spent up to now is 27.8 secs Computing kpt #: 97 total cpu time spent up to now is 28.1 secs Computing kpt #: 98 total cpu time spent up to now is 28.3 secs Computing kpt #: 99 total cpu time spent up to now is 28.6 secs Computing kpt #: 100 total cpu time spent up to now is 28.8 secs Computing kpt #: 101 total cpu time spent up to now is 29.0 secs Computing kpt #: 102 total cpu time spent up to now is 29.3 secs Computing kpt #: 103 total cpu time spent up to now is 29.5 secs Computing kpt #: 104 total cpu time spent up to now is 29.8 secs Computing kpt #: 105 total cpu time spent up to now is 30.1 secs Computing kpt #: 106 total cpu time spent up to now is 30.3 secs Computing kpt #: 107 total cpu time spent up to now is 30.6 secs Computing kpt #: 108 total cpu time spent up to now is 30.9 secs Computing kpt #: 109 total cpu time spent up to now is 31.1 secs Computing kpt #: 110 total cpu time spent up to now is 31.4 secs Computing kpt #: 111 total cpu time spent up to now is 31.7 secs Computing kpt #: 112 total cpu time spent up to now is 32.0 secs Computing kpt #: 113 total cpu time spent up to now is 32.2 secs Computing kpt #: 114 total cpu time spent up to now is 32.5 secs Computing kpt #: 115 total cpu time spent up to now is 32.8 secs Computing kpt #: 116 total cpu time spent up to now is 33.1 secs Computing kpt #: 117 total cpu time spent up to now is 33.3 secs Computing kpt #: 118 total cpu time spent up to now is 33.6 secs Computing kpt #: 119 total cpu time spent up to now is 33.9 secs Computing kpt #: 120 total cpu time spent up to now is 34.2 secs Computing kpt #: 121 total cpu time spent up to now is 34.5 secs Computing kpt #: 122 total cpu time spent up to now is 34.8 secs Computing kpt #: 123 total cpu time spent up to now is 35.1 secs Computing kpt #: 124 total cpu time spent up to now is 35.4 secs Computing kpt #: 125 total cpu time spent up to now is 35.7 secs Computing kpt #: 126 total cpu time spent up to now is 36.0 secs Computing kpt #: 127 total cpu time spent up to now is 36.3 secs Computing kpt #: 128 total cpu time spent up to now is 36.6 secs Computing kpt #: 129 total cpu time spent up to now is 36.9 secs Computing kpt #: 130 total cpu time spent up to now is 37.2 secs Computing kpt #: 131 total cpu time spent up to now is 37.5 secs Computing kpt #: 132 total cpu time spent up to now is 37.9 secs Computing kpt #: 133 total cpu time spent up to now is 38.2 secs Computing kpt #: 134 total cpu time spent up to now is 38.5 secs Computing kpt #: 135 total cpu time spent up to now is 38.8 secs Computing kpt #: 136 total cpu time spent up to now is 39.1 secs Computing kpt #: 137 total cpu time spent up to now is 39.5 secs Computing kpt #: 138 total cpu time spent up to now is 39.8 secs Computing kpt #: 139 total cpu time spent up to now is 40.1 secs Computing kpt #: 140 total cpu time spent up to now is 40.4 secs Computing kpt #: 141 total cpu time spent up to now is 40.7 secs Computing kpt #: 142 total cpu time spent up to now is 41.0 secs Computing kpt #: 143 total cpu time spent up to now is 41.2 secs Computing kpt #: 144 total cpu time spent up to now is 41.5 secs Computing kpt #: 145 total cpu time spent up to now is 41.8 secs Computing kpt #: 146 total cpu time spent up to now is 42.1 secs Computing kpt #: 147 total cpu time spent up to now is 42.4 secs Computing kpt #: 148 total cpu time spent up to now is 42.7 secs Computing kpt #: 149 total cpu time spent up to now is 42.9 secs Computing kpt #: 150 total cpu time spent up to now is 43.2 secs Computing kpt #: 151 total cpu time spent up to now is 43.5 secs Computing kpt #: 152 total cpu time spent up to now is 43.8 secs Computing kpt #: 153 total cpu time spent up to now is 44.1 secs Computing kpt #: 154 total cpu time spent up to now is 44.3 secs Computing kpt #: 155 total cpu time spent up to now is 44.6 secs Computing kpt #: 156 total cpu time spent up to now is 44.9 secs Computing kpt #: 157 total cpu time spent up to now is 45.1 secs Computing kpt #: 158 total cpu time spent up to now is 45.4 secs Computing kpt #: 159 total cpu time spent up to now is 45.7 secs Computing kpt #: 160 total cpu time spent up to now is 46.0 secs Computing kpt #: 161 total cpu time spent up to now is 46.2 secs Computing kpt #: 162 total cpu time spent up to now is 46.5 secs Computing kpt #: 163 total cpu time spent up to now is 46.8 secs Computing kpt #: 164 total cpu time spent up to now is 47.0 secs Computing kpt #: 165 total cpu time spent up to now is 47.3 secs Computing kpt #: 166 total cpu time spent up to now is 47.6 secs Computing kpt #: 167 total cpu time spent up to now is 47.9 secs Computing kpt #: 168 total cpu time spent up to now is 48.1 secs Computing kpt #: 169 total cpu time spent up to now is 48.4 secs Computing kpt #: 170 total cpu time spent up to now is 48.7 secs Computing kpt #: 171 total cpu time spent up to now is 48.9 secs Computing kpt #: 172 total cpu time spent up to now is 49.2 secs Computing kpt #: 173 total cpu time spent up to now is 49.5 secs Computing kpt #: 174 total cpu time spent up to now is 49.7 secs Computing kpt #: 175 total cpu time spent up to now is 50.0 secs Computing kpt #: 176 total cpu time spent up to now is 50.3 secs Computing kpt #: 177 total cpu time spent up to now is 50.5 secs Computing kpt #: 178 total cpu time spent up to now is 50.8 secs Computing kpt #: 179 total cpu time spent up to now is 51.1 secs Computing kpt #: 180 total cpu time spent up to now is 51.4 secs Computing kpt #: 181 total cpu time spent up to now is 51.7 secs Computing kpt #: 182 total cpu time spent up to now is 52.0 secs Computing kpt #: 183 total cpu time spent up to now is 52.3 secs Computing kpt #: 184 total cpu time spent up to now is 52.6 secs Computing kpt #: 185 total cpu time spent up to now is 53.0 secs Computing kpt #: 186 total cpu time spent up to now is 53.3 secs Computing kpt #: 187 total cpu time spent up to now is 53.6 secs Computing kpt #: 188 total cpu time spent up to now is 54.0 secs Computing kpt #: 189 total cpu time spent up to now is 54.3 secs Computing kpt #: 190 total cpu time spent up to now is 54.7 secs Computing kpt #: 191 total cpu time spent up to now is 55.0 secs Computing kpt #: 192 total cpu time spent up to now is 55.3 secs Computing kpt #: 193 total cpu time spent up to now is 55.7 secs Computing kpt #: 194 total cpu time spent up to now is 56.0 secs Computing kpt #: 195 total cpu time spent up to now is 56.4 secs Computing kpt #: 196 total cpu time spent up to now is 56.7 secs Computing kpt #: 197 total cpu time spent up to now is 57.1 secs Computing kpt #: 198 total cpu time spent up to now is 57.4 secs Computing kpt #: 199 total cpu time spent up to now is 57.8 secs Computing kpt #: 200 total cpu time spent up to now is 58.2 secs Computing kpt #: 201 total cpu time spent up to now is 58.5 secs Computing kpt #: 202 total cpu time spent up to now is 58.9 secs Computing kpt #: 203 total cpu time spent up to now is 59.2 secs Computing kpt #: 204 total cpu time spent up to now is 59.6 secs Computing kpt #: 205 total cpu time spent up to now is 59.9 secs Computing kpt #: 206 total cpu time spent up to now is 60.3 secs Computing kpt #: 207 total cpu time spent up to now is 60.7 secs Computing kpt #: 208 total cpu time spent up to now is 61.2 secs Computing kpt #: 209 total cpu time spent up to now is 61.6 secs Computing kpt #: 210 total cpu time spent up to now is 62.0 secs Computing kpt #: 211 total cpu time spent up to now is 62.6 secs Computing kpt #: 212 total cpu time spent up to now is 63.1 secs Computing kpt #: 213 total cpu time spent up to now is 63.4 secs Computing kpt #: 214 total cpu time spent up to now is 63.8 secs Computing kpt #: 215 total cpu time spent up to now is 64.1 secs Computing kpt #: 216 total cpu time spent up to now is 64.5 secs Computing kpt #: 217 total cpu time spent up to now is 64.8 secs Computing kpt #: 218 total cpu time spent up to now is 65.1 secs Computing kpt #: 219 total cpu time spent up to now is 65.5 secs Computing kpt #: 220 total cpu time spent up to now is 65.8 secs Computing kpt #: 221 total cpu time spent up to now is 66.1 secs Computing kpt #: 222 total cpu time spent up to now is 66.5 secs Computing kpt #: 223 total cpu time spent up to now is 66.8 secs Computing kpt #: 224 total cpu time spent up to now is 67.1 secs Computing kpt #: 225 total cpu time spent up to now is 67.5 secs Computing kpt #: 226 total cpu time spent up to now is 67.8 secs Computing kpt #: 227 total cpu time spent up to now is 68.1 secs Computing kpt #: 228 total cpu time spent up to now is 68.5 secs Computing kpt #: 229 total cpu time spent up to now is 68.8 secs Computing kpt #: 230 total cpu time spent up to now is 69.1 secs Computing kpt #: 231 total cpu time spent up to now is 69.5 secs Computing kpt #: 232 total cpu time spent up to now is 69.8 secs Computing kpt #: 233 total cpu time spent up to now is 70.2 secs Computing kpt #: 234 total cpu time spent up to now is 70.6 secs Computing kpt #: 235 total cpu time spent up to now is 71.0 secs Computing kpt #: 236 total cpu time spent up to now is 71.6 secs Computing kpt #: 237 total cpu time spent up to now is 72.2 secs Computing kpt #: 238 total cpu time spent up to now is 72.6 secs Computing kpt #: 239 total cpu time spent up to now is 72.9 secs Computing kpt #: 240 total cpu time spent up to now is 73.2 secs Computing kpt #: 241 total cpu time spent up to now is 73.5 secs Computing kpt #: 242 total cpu time spent up to now is 73.8 secs Computing kpt #: 243 total cpu time spent up to now is 74.1 secs Computing kpt #: 244 total cpu time spent up to now is 74.4 secs Computing kpt #: 245 total cpu time spent up to now is 74.6 secs Computing kpt #: 246 total cpu time spent up to now is 74.9 secs Computing kpt #: 247 total cpu time spent up to now is 75.2 secs Computing kpt #: 248 total cpu time spent up to now is 75.4 secs Computing kpt #: 249 total cpu time spent up to now is 75.7 secs Computing kpt #: 250 total cpu time spent up to now is 75.9 secs Computing kpt #: 251 total cpu time spent up to now is 76.2 secs Computing kpt #: 252 total cpu time spent up to now is 76.4 secs Computing kpt #: 253 total cpu time spent up to now is 76.7 secs Computing kpt #: 254 total cpu time spent up to now is 76.9 secs Computing kpt #: 255 total cpu time spent up to now is 77.2 secs Computing kpt #: 256 total cpu time spent up to now is 77.5 secs Computing kpt #: 257 total cpu time spent up to now is 77.7 secs Computing kpt #: 258 total cpu time spent up to now is 77.9 secs Computing kpt #: 259 total cpu time spent up to now is 78.2 secs Computing kpt #: 260 total cpu time spent up to now is 78.4 secs Computing kpt #: 261 total cpu time spent up to now is 78.7 secs Computing kpt #: 262 total cpu time spent up to now is 78.9 secs Computing kpt #: 263 total cpu time spent up to now is 79.2 secs Computing kpt #: 264 total cpu time spent up to now is 79.4 secs Computing kpt #: 265 total cpu time spent up to now is 79.7 secs Computing kpt #: 266 total cpu time spent up to now is 79.9 secs Computing kpt #: 267 total cpu time spent up to now is 80.2 secs Computing kpt #: 268 total cpu time spent up to now is 80.4 secs Computing kpt #: 269 total cpu time spent up to now is 80.6 secs Computing kpt #: 270 total cpu time spent up to now is 80.9 secs Computing kpt #: 271 total cpu time spent up to now is 81.1 secs Computing kpt #: 272 total cpu time spent up to now is 81.4 secs Computing kpt #: 273 total cpu time spent up to now is 81.6 secs Computing kpt #: 274 total cpu time spent up to now is 81.9 secs Computing kpt #: 275 total cpu time spent up to now is 82.1 secs Computing kpt #: 276 total cpu time spent up to now is 82.4 secs Computing kpt #: 277 total cpu time spent up to now is 82.7 secs Computing kpt #: 278 total cpu time spent up to now is 82.9 secs Computing kpt #: 279 total cpu time spent up to now is 83.2 secs Computing kpt #: 280 total cpu time spent up to now is 83.5 secs Computing kpt #: 281 total cpu time spent up to now is 83.8 secs Computing kpt #: 282 total cpu time spent up to now is 84.1 secs Computing kpt #: 283 total cpu time spent up to now is 84.4 secs Computing kpt #: 284 total cpu time spent up to now is 84.7 secs Computing kpt #: 285 total cpu time spent up to now is 85.0 secs Computing kpt #: 286 total cpu time spent up to now is 85.3 secs Computing kpt #: 287 total cpu time spent up to now is 85.6 secs Computing kpt #: 288 total cpu time spent up to now is 85.9 secs Computing kpt #: 289 total cpu time spent up to now is 86.3 secs Computing kpt #: 290 total cpu time spent up to now is 86.6 secs Computing kpt #: 291 total cpu time spent up to now is 86.9 secs Computing kpt #: 292 total cpu time spent up to now is 87.2 secs Computing kpt #: 293 total cpu time spent up to now is 87.5 secs Computing kpt #: 294 total cpu time spent up to now is 87.8 secs Computing kpt #: 295 total cpu time spent up to now is 88.2 secs Computing kpt #: 296 total cpu time spent up to now is 88.5 secs Computing kpt #: 297 total cpu time spent up to now is 88.8 secs Computing kpt #: 298 total cpu time spent up to now is 89.1 secs Computing kpt #: 299 total cpu time spent up to now is 89.5 secs Computing kpt #: 300 total cpu time spent up to now is 89.8 secs Computing kpt #: 301 total cpu time spent up to now is 90.1 secs Computing kpt #: 302 total cpu time spent up to now is 90.5 secs Computing kpt #: 303 total cpu time spent up to now is 90.8 secs Computing kpt #: 304 total cpu time spent up to now is 91.2 secs Computing kpt #: 305 total cpu time spent up to now is 91.5 secs Computing kpt #: 306 total cpu time spent up to now is 92.0 secs Computing kpt #: 307 total cpu time spent up to now is 92.5 secs ethr = 2.50E-08, avg # of iterations = 19.2 total cpu time spent up to now is 92.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3909 -31.3909 -22.7253 -22.7253 -22.7253 -22.7253 -18.4265 -18.4265 -8.6753 -8.6753 -7.9768 -7.9768 -7.9768 -7.9768 -2.1580 -2.1580 -1.8902 -1.8902 -1.8902 -1.8902 5.9144 5.9144 6.7043 6.7043 6.7043 6.7043 7.7814 7.7814 7.7814 7.7814 7.7976 7.7976 8.0961 8.0961 8.2686 8.2686 8.2686 8.2686 10.9712 10.9712 10.9712 10.9712 11.3847 11.3847 15.5570 15.5570 k = 0.0000 0.0125-0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3909 -31.3909 -22.7255 -22.7255 -22.7253 -22.7253 -18.4265 -18.4265 -8.6748 -8.6748 -7.9767 -7.9767 -7.9760 -7.9760 -2.1578 -2.1578 -1.8901 -1.8901 -1.8900 -1.8900 5.9133 5.9133 6.7019 6.7019 6.7039 6.7039 7.7790 7.7790 7.7801 7.7801 7.7958 7.7958 8.0937 8.0937 8.2638 8.2638 8.2674 8.2674 10.9732 10.9732 10.9767 10.9767 11.3883 11.3883 15.5603 15.5603 k = 0.0000 0.0250-0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3910 -31.3910 -22.7259 -22.7259 -22.7253 -22.7253 -18.4263 -18.4263 -8.6731 -8.6731 -7.9766 -7.9766 -7.9736 -7.9736 -2.1575 -2.1575 -1.8900 -1.8900 -1.8895 -1.8895 5.9097 5.9097 6.6947 6.6947 6.7030 6.7030 7.7717 7.7717 7.7756 7.7756 7.7910 7.7910 8.0864 8.0864 8.2501 8.2501 8.2641 8.2641 10.9789 10.9789 10.9933 10.9933 11.3991 11.3991 15.5700 15.5700 k = 0.0000 0.0375-0.0000 ( 2321 PWs) bands (ev): -58.5119 -58.5119 -31.3910 -31.3910 -22.7267 -22.7267 -22.7253 -22.7253 -18.4261 -18.4261 -8.6703 -8.6703 -7.9764 -7.9764 -7.9697 -7.9697 -2.1569 -2.1569 -1.8897 -1.8897 -1.8887 -1.8887 5.9037 5.9037 6.6828 6.6828 6.7014 6.7014 7.7593 7.7593 7.7667 7.7667 7.7844 7.7844 8.0737 8.0737 8.2285 8.2285 8.2588 8.2588 10.9878 10.9878 11.0207 11.0207 11.4175 11.4175 15.5854 15.5854 k = 0.0000 0.0500-0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3911 -31.3911 -22.7278 -22.7278 -22.7252 -22.7252 -18.4258 -18.4258 -8.6665 -8.6665 -7.9762 -7.9762 -7.9641 -7.9641 -2.1560 -2.1560 -1.8893 -1.8893 -1.8875 -1.8875 5.8949 5.8949 6.6662 6.6662 6.6993 6.6993 7.7419 7.7419 7.7522 7.7522 7.7773 7.7773 8.0548 8.0548 8.2015 8.2015 8.2519 8.2519 10.9992 10.9992 11.0582 11.0582 11.4438 11.4438 15.6060 15.6060 k = 0.0000 0.0625-0.0000 ( 2321 PWs) bands (ev): -58.5118 -58.5118 -31.3913 -31.3913 -22.7291 -22.7291 -22.7251 -22.7251 -18.4254 -18.4254 -8.6619 -8.6619 -7.9759 -7.9759 -7.9568 -7.9568 -2.1549 -2.1549 -1.8888 -1.8888 -1.8860 -1.8860 5.8830 5.8830 6.6452 6.6452 6.6964 6.6964 7.7194 7.7194 7.7324 7.7324 7.7696 7.7696 8.0279 8.0279 8.1724 8.1724 8.2438 8.2438 11.0120 11.0120 11.1054 11.1054 11.4784 11.4784 15.6313 15.6313 k = 0.0000 0.0750-0.0000 ( 2321 PWs) bands (ev): -58.5118 -58.5118 -31.3915 -31.3915 -22.7307 -22.7307 -22.7250 -22.7250 -18.4249 -18.4249 -8.6564 -8.6564 -7.9755 -7.9755 -7.9478 -7.9478 -2.1536 -2.1536 -1.8881 -1.8881 -1.8843 -1.8843 5.8676 5.8676 6.6200 6.6200 6.6930 6.6930 7.6919 7.6919 7.7077 7.7077 7.7609 7.7609 7.9912 7.9912 8.1448 8.1448 8.2349 8.2349 11.0254 11.0254 11.1615 11.1615 11.5217 11.5217 15.6607 15.6607 k = 0.0000 0.0875-0.0000 ( 2325 PWs) bands (ev): -58.5118 -58.5118 -31.3917 -31.3917 -22.7326 -22.7326 -22.7250 -22.7250 -18.4243 -18.4243 -8.6503 -8.6503 -7.9750 -7.9750 -7.9369 -7.9369 -2.1521 -2.1521 -1.8875 -1.8875 -1.8822 -1.8822 5.8482 5.8482 6.5910 6.5910 6.6890 6.6890 7.6595 7.6595 7.6788 7.6788 7.7512 7.7512 7.9444 7.9444 8.1212 8.1212 8.2254 8.2254 11.0388 11.0388 11.2256 11.2256 11.5734 11.5734 15.6940 15.6940 k = 0.0000 0.1000-0.0000 ( 2317 PWs) bands (ev): -58.5118 -58.5118 -31.3919 -31.3919 -22.7347 -22.7347 -22.7249 -22.7249 -18.4236 -18.4236 -8.6437 -8.6437 -7.9745 -7.9745 -7.9240 -7.9240 -2.1504 -2.1504 -1.8867 -1.8867 -1.8797 -1.8797 5.8239 5.8239 6.5587 6.5587 6.6843 6.6843 7.6226 7.6226 7.6459 7.6459 7.7403 7.7403 7.8891 7.8891 8.1017 8.1017 8.2159 8.2159 11.0517 11.0517 11.2972 11.2972 11.6334 11.6334 15.7312 15.7312 k = 0.0000 0.1125-0.0000 ( 2325 PWs) bands (ev): -58.5118 -58.5118 -31.3921 -31.3921 -22.7372 -22.7372 -22.7247 -22.7247 -18.4229 -18.4229 -8.6368 -8.6368 -7.9740 -7.9740 -7.9091 -7.9091 -2.1485 -2.1485 -1.8858 -1.8858 -1.8771 -1.8771 5.7938 5.7938 6.5240 6.5240 6.6790 6.6790 7.5817 7.5817 7.6097 7.6097 7.7282 7.7282 7.8278 7.8278 8.0854 8.0854 8.2066 8.2066 11.0639 11.0639 11.3754 11.3754 11.7011 11.7011 15.7721 15.7721 k = 0.0000 0.1250-0.0000 ( 2333 PWs) bands (ev): -58.5118 -58.5118 -31.3924 -31.3924 -22.7398 -22.7398 -22.7246 -22.7246 -18.4221 -18.4221 -8.6297 -8.6297 -7.9733 -7.9733 -7.8921 -7.8921 -2.1465 -2.1465 -1.8848 -1.8848 -1.8742 -1.8742 5.7571 5.7571 6.4878 6.4878 6.6731 6.6731 7.5372 7.5372 7.5706 7.5706 7.7151 7.7151 7.7631 7.7631 8.0715 8.0715 8.1974 8.1974 11.0754 11.0754 11.4592 11.4592 11.7759 11.7759 15.8165 15.8165 k = 0.0000 0.1375-0.0000 ( 2325 PWs) bands (ev): -58.5118 -58.5118 -31.3927 -31.3927 -22.7426 -22.7426 -22.7244 -22.7244 -18.4213 -18.4213 -8.6226 -8.6226 -7.9727 -7.9727 -7.8729 -7.8729 -2.1442 -2.1442 -1.8837 -1.8837 -1.8709 -1.8709 5.7126 5.7126 6.4513 6.4513 6.6667 6.6667 7.4899 7.4899 7.5291 7.5291 7.6968 7.6968 7.7011 7.7011 8.0593 8.0593 8.1887 8.1887 11.0862 11.0862 11.5482 11.5482 11.8570 11.8570 15.8197 15.8197 k = 0.0000 0.1500-0.0000 ( 2321 PWs) bands (ev): -58.5117 -58.5117 -31.3930 -31.3930 -22.7456 -22.7456 -22.7243 -22.7243 -18.4203 -18.4203 -8.6156 -8.6156 -7.9719 -7.9719 -7.8515 -7.8515 -2.1419 -2.1419 -1.8826 -1.8826 -1.8674 -1.8674 5.6595 5.6595 6.4155 6.4155 6.6596 6.6596 7.4400 7.4400 7.4858 7.4858 7.6307 7.6307 7.6862 7.6862 8.0483 8.0483 8.1803 8.1803 11.0964 11.0964 11.6415 11.6415 11.9435 11.9435 15.8217 15.8217 k = 0.0000 0.1625-0.0000 ( 2325 PWs) bands (ev): -58.5117 -58.5117 -31.3933 -31.3933 -22.7487 -22.7487 -22.7241 -22.7241 -18.4194 -18.4194 -8.6090 -8.6090 -7.9712 -7.9712 -7.8279 -7.8279 -2.1394 -2.1394 -1.8814 -1.8814 -1.8638 -1.8638 5.5972 5.5972 6.3816 6.3816 6.6519 6.6519 7.3883 7.3883 7.4412 7.4412 7.5657 7.5657 7.6705 7.6705 8.0383 8.0383 8.1724 8.1724 11.1060 11.1060 11.7385 11.7385 12.0348 12.0348 15.8237 15.8237 k = 0.0000 0.1750-0.0000 ( 2309 PWs) bands (ev): -58.5117 -58.5117 -31.3937 -31.3937 -22.7520 -22.7520 -22.7239 -22.7239 -18.4183 -18.4183 -8.6027 -8.6027 -7.9704 -7.9704 -7.8020 -7.8020 -2.1368 -2.1368 -1.8801 -1.8801 -1.8598 -1.8598 5.5254 5.5254 6.3503 6.3503 6.6435 6.6435 7.3350 7.3350 7.3959 7.3959 7.5029 7.5029 7.6541 7.6541 8.0290 8.0290 8.1649 8.1649 11.1153 11.1153 11.8387 11.8387 12.1301 12.1301 15.8259 15.8259 k = 0.0000 0.1875-0.0000 ( 2309 PWs) bands (ev): -58.5117 -58.5117 -31.3940 -31.3940 -22.7555 -22.7555 -22.7238 -22.7238 -18.4172 -18.4172 -8.5969 -8.5969 -7.9695 -7.9695 -7.7740 -7.7740 -2.1341 -2.1341 -1.8788 -1.8788 -1.8557 -1.8557 5.4446 5.4446 6.3221 6.3221 6.6346 6.6346 7.2807 7.2807 7.3502 7.3502 7.4427 7.4427 7.6372 7.6372 8.0203 8.0203 8.1578 8.1578 11.1242 11.1242 11.9413 11.9413 12.2286 12.2286 15.8281 15.8281 k = 0.0000 0.2000-0.0000 ( 2301 PWs) bands (ev): -58.5116 -58.5116 -31.3944 -31.3944 -22.7590 -22.7590 -22.7236 -22.7236 -18.4161 -18.4161 -8.5916 -8.5916 -7.9687 -7.9687 -7.7440 -7.7440 -2.1313 -2.1313 -1.8774 -1.8774 -1.8515 -1.8515 5.3553 5.3553 6.2973 6.2973 6.6251 6.6251 7.2259 7.2259 7.3046 7.3046 7.3855 7.3855 7.6198 7.6198 8.0120 8.0120 8.1510 8.1510 11.1328 11.1328 12.0458 12.0458 12.3298 12.3298 15.8303 15.8303 k = 0.0000 0.2125-0.0000 ( 2308 PWs) bands (ev): -58.5116 -58.5116 -31.3948 -31.3948 -22.7627 -22.7627 -22.7234 -22.7234 -18.4150 -18.4150 -8.5870 -8.5870 -7.9678 -7.9678 -7.7120 -7.7120 -2.1285 -2.1285 -1.8760 -1.8760 -1.8471 -1.8471 5.2586 5.2586 6.2757 6.2757 6.6149 6.6149 7.1707 7.1707 7.2596 7.2596 7.3314 7.3314 7.6021 7.6021 8.0042 8.0042 8.1445 8.1445 11.1411 11.1411 12.1517 12.1517 12.4329 12.4329 15.8324 15.8324 k = 0.0000 0.2250-0.0000 ( 2316 PWs) bands (ev): -58.5116 -58.5116 -31.3952 -31.3952 -22.7664 -22.7664 -22.7232 -22.7232 -18.4139 -18.4139 -8.5829 -8.5829 -7.9669 -7.9669 -7.6783 -7.6783 -2.1257 -2.1257 -1.8746 -1.8746 -1.8426 -1.8426 5.1558 5.1558 6.2571 6.2571 6.6042 6.6042 7.1158 7.1158 7.2155 7.2155 7.2803 7.2803 7.5842 7.5842 7.9966 7.9966 8.1384 8.1384 11.1493 11.1493 12.2584 12.2584 12.5374 12.5374 15.8346 15.8346 k = 0.0000 0.2375-0.0000 ( 2308 PWs) bands (ev): -58.5115 -58.5115 -31.3956 -31.3956 -22.7702 -22.7702 -22.7229 -22.7229 -18.4127 -18.4127 -8.5795 -8.5795 -7.9660 -7.9660 -7.6430 -7.6430 -2.1229 -2.1229 -1.8732 -1.8732 -1.8380 -1.8380 5.0484 5.0484 6.2413 6.2413 6.5928 6.5928 7.0614 7.0614 7.1726 7.1726 7.2321 7.2321 7.5662 7.5662 7.9894 7.9894 8.1326 8.1326 11.1573 11.1573 12.3655 12.3655 12.6427 12.6427 15.8368 15.8368 k = 0.0000 0.2500-0.0000 ( 2308 PWs) bands (ev): -58.5115 -58.5115 -31.3960 -31.3960 -22.7739 -22.7739 -22.7227 -22.7227 -18.4115 -18.4115 -8.5766 -8.5766 -7.9650 -7.9650 -7.6064 -7.6064 -2.1201 -2.1201 -1.8717 -1.8717 -1.8334 -1.8334 4.9375 4.9375 6.2278 6.2278 6.5808 6.5808 7.0078 7.0078 7.1313 7.1313 7.1866 7.1866 7.5482 7.5482 7.9825 7.9825 8.1271 8.1271 11.1651 11.1651 12.4725 12.4725 12.7483 12.7483 15.8391 15.8391 k = 0.0000 0.2625-0.0000 ( 2308 PWs) bands (ev): -58.5115 -58.5115 -31.3964 -31.3964 -22.7777 -22.7777 -22.7225 -22.7225 -18.4104 -18.4104 -8.5744 -8.5744 -7.9641 -7.9641 -7.5687 -7.5687 -2.1173 -2.1173 -1.8703 -1.8703 -1.8287 -1.8287 4.8245 4.8245 6.2165 6.2165 6.5683 6.5683 6.9553 6.9553 7.0917 7.0917 7.1438 7.1438 7.5303 7.5303 7.9758 7.9758 8.1218 8.1218 11.1727 11.1727 12.5788 12.5788 12.8535 12.8535 15.8413 15.8413 k = 0.0000 0.2750-0.0000 ( 2316 PWs) bands (ev): -58.5115 -58.5115 -31.3968 -31.3968 -22.7815 -22.7815 -22.7224 -22.7224 -18.4092 -18.4092 -8.5726 -8.5726 -7.9632 -7.9632 -7.5301 -7.5301 -2.1145 -2.1145 -1.8689 -1.8689 -1.8241 -1.8241 4.7106 4.7106 6.2071 6.2071 6.5551 6.5551 6.9040 6.9040 7.0541 7.0541 7.1035 7.1035 7.5126 7.5126 7.9694 7.9694 8.1169 8.1169 11.1801 11.1801 12.6839 12.6839 12.9579 12.9579 15.8434 15.8434 k = 0.0000 0.2875-0.0000 ( 2312 PWs) bands (ev): -58.5115 -58.5115 -31.3972 -31.3972 -22.7851 -22.7851 -22.7222 -22.7222 -18.4081 -18.4081 -8.5713 -8.5713 -7.9623 -7.9623 -7.4911 -7.4911 -2.1118 -2.1118 -1.8674 -1.8674 -1.8194 -1.8194 4.5970 4.5970 6.1995 6.1995 6.5415 6.5415 6.8541 6.8541 7.0188 7.0188 7.0656 7.0656 7.4953 7.4953 7.9633 7.9633 8.1121 8.1121 11.1873 11.1873 12.7876 12.7876 13.0609 13.0609 15.8457 15.8457 k = 0.0000 0.3000-0.0000 ( 2316 PWs) bands (ev): -58.5114 -58.5114 -31.3976 -31.3976 -22.7888 -22.7888 -22.7220 -22.7220 -18.4070 -18.4070 -8.5705 -8.5705 -7.9614 -7.9614 -7.4519 -7.4519 -2.1092 -2.1092 -1.8660 -1.8660 -1.8149 -1.8149 4.4846 4.4846 6.1933 6.1933 6.5273 6.5273 6.8058 6.8058 6.9857 6.9857 7.0300 7.0300 7.4784 7.4784 7.9575 7.9575 8.1077 8.1077 11.1943 11.1943 12.8890 12.8890 13.1620 13.1620 15.8478 15.8478 k = 0.0000 0.3125-0.0000 ( 2316 PWs) bands (ev): -58.5114 -58.5114 -31.3979 -31.3979 -22.7923 -22.7923 -22.7218 -22.7218 -18.4059 -18.4059 -8.5700 -8.5700 -7.9605 -7.9605 -7.4127 -7.4127 -2.1066 -2.1066 -1.8647 -1.8647 -1.8104 -1.8104 4.3745 4.3745 6.1887 6.1887 6.5129 6.5129 6.7591 6.7591 6.9551 6.9551 6.9966 6.9966 7.4620 7.4620 7.9519 7.9519 8.1035 8.1035 11.2011 11.2011 12.9879 12.9879 13.2607 13.2607 15.8500 15.8500 k = 0.0000 0.3250-0.0000 ( 2316 PWs) bands (ev): -58.5114 -58.5114 -31.3983 -31.3983 -22.7957 -22.7957 -22.7216 -22.7216 -18.4048 -18.4048 -8.5699 -8.5699 -7.9597 -7.9597 -7.3740 -7.3740 -2.1041 -2.1041 -1.8634 -1.8634 -1.8060 -1.8060 4.2675 4.2675 6.1854 6.1854 6.4981 6.4981 6.7142 6.7142 6.9269 6.9269 6.9654 6.9654 7.4462 7.4462 7.9466 7.9466 8.0995 8.0995 11.2076 11.2076 13.0836 13.0836 13.3564 13.3564 15.8521 15.8521 k = 0.0000 0.3375-0.0000 ( 2316 PWs) bands (ev): -58.5114 -58.5114 -31.3986 -31.3986 -22.7989 -22.7989 -22.7214 -22.7214 -18.4038 -18.4038 -8.5700 -8.5700 -7.9589 -7.9589 -7.3361 -7.3361 -2.1018 -2.1018 -1.8621 -1.8621 -1.8018 -1.8018 4.1644 4.1644 6.1834 6.1834 6.4833 6.4833 6.6710 6.6710 6.9012 6.9012 6.9363 6.9363 7.4312 7.4312 7.9416 7.9416 8.0958 8.0958 11.2138 11.2138 13.1758 13.1758 13.4485 13.4485 15.8541 15.8541 k = 0.0000 0.3500-0.0000 ( 2316 PWs) bands (ev): -58.5114 -58.5114 -31.3990 -31.3990 -22.8020 -22.8020 -22.7212 -22.7212 -18.4028 -18.4028 -8.5703 -8.5703 -7.9581 -7.9581 -7.2992 -7.2992 -2.0996 -2.0996 -1.8609 -1.8609 -1.7977 -1.7977 4.0659 4.0659 6.1828 6.1828 6.4685 6.4685 6.6298 6.6298 6.8779 6.8779 6.9094 6.9094 7.4169 7.4169 7.9369 7.9369 8.0924 8.0924 11.2197 11.2197 13.2638 13.2638 13.5367 13.5367 15.8561 15.8561 k = 0.0000 0.3625-0.0000 ( 2320 PWs) bands (ev): -58.5113 -58.5113 -31.3993 -31.3993 -22.8049 -22.8049 -22.7211 -22.7211 -18.4019 -18.4019 -8.5708 -8.5708 -7.9574 -7.9574 -7.2638 -7.2638 -2.0975 -2.0975 -1.8598 -1.8598 -1.7939 -1.7939 3.9728 3.9728 6.1834 6.1834 6.4540 6.4540 6.5904 6.5904 6.8570 6.8570 6.8846 6.8846 7.4035 7.4035 7.9326 7.9326 8.0892 8.0892 11.2252 11.2252 13.3472 13.3472 13.6202 13.6202 15.8581 15.8581 k = 0.0000 0.3750-0.0000 ( 2312 PWs) bands (ev): -58.5113 -58.5113 -31.3996 -31.3996 -22.8076 -22.8076 -22.7209 -22.7209 -18.4011 -18.4011 -8.5714 -8.5714 -7.9567 -7.9567 -7.2302 -7.2302 -2.0956 -2.0956 -1.8587 -1.8587 -1.7903 -1.7903 3.8856 3.8856 6.1853 6.1853 6.4399 6.4399 6.5529 6.5529 6.8384 6.8384 6.8619 6.8619 7.3910 7.3910 7.9286 7.9286 8.0863 8.0863 11.2304 11.2304 13.4254 13.4254 13.6986 13.6986 15.8600 15.8600 k = 0.0000 0.3875-0.0000 ( 2312 PWs) bands (ev): -58.5113 -58.5113 -31.3998 -31.3998 -22.8101 -22.8101 -22.7208 -22.7208 -18.4003 -18.4003 -8.5720 -8.5720 -7.9561 -7.9561 -7.1987 -7.1987 -2.0938 -2.0938 -1.8577 -1.8577 -1.7869 -1.7869 3.8050 3.8050 6.1886 6.1886 6.4264 6.4264 6.5174 6.5174 6.8220 6.8220 6.8414 6.8414 7.3795 7.3795 7.9249 7.9249 8.0837 8.0837 11.2352 11.2352 13.4980 13.4980 13.7715 13.7715 15.8618 15.8618 k = 0.0000 0.4000-0.0000 ( 2316 PWs) bands (ev): -58.5113 -58.5113 -31.4001 -31.4001 -22.8124 -22.8124 -22.7207 -22.7207 -18.3996 -18.3996 -8.5728 -8.5728 -7.9555 -7.9555 -7.1695 -7.1695 -2.0922 -2.0922 -1.8568 -1.8568 -1.7839 -1.7839 3.7313 3.7313 6.1931 6.1931 6.4138 6.4138 6.4838 6.4838 6.8077 6.8077 6.8230 6.8230 7.3690 7.3690 7.9216 7.9216 8.0813 8.0813 11.2395 11.2395 13.5645 13.5645 13.8382 13.8382 15.8634 15.8634 k = 0.0000 0.4125-0.0000 ( 2316 PWs) bands (ev): -58.5113 -58.5113 -31.4003 -31.4003 -22.8145 -22.8145 -22.7206 -22.7206 -18.3989 -18.3989 -8.5735 -8.5735 -7.9550 -7.9550 -7.1430 -7.1430 -2.0907 -2.0907 -1.8560 -1.8560 -1.7811 -1.7811 3.6652 3.6652 6.1991 6.1991 6.4021 6.4021 6.4522 6.4522 6.7954 6.7954 6.8067 6.8067 7.3597 7.3597 7.9186 7.9186 8.0793 8.0793 11.2434 11.2434 13.6245 13.6245 13.8983 13.8983 15.8650 15.8650 k = 0.0000 0.4250-0.0000 ( 2316 PWs) bands (ev): -58.5113 -58.5113 -31.4005 -31.4005 -22.8163 -22.8163 -22.7205 -22.7205 -18.3983 -18.3983 -8.5741 -8.5741 -7.9545 -7.9545 -7.1195 -7.1195 -2.0895 -2.0895 -1.8553 -1.8553 -1.7787 -1.7787 3.6071 3.6071 6.2064 6.2064 6.3917 6.3917 6.4225 6.4225 6.7849 6.7849 6.7925 6.7925 7.3515 7.3515 7.9160 7.9160 8.0774 8.0774 11.2468 11.2468 13.6774 13.6774 13.9514 13.9514 15.8664 15.8664 k = 0.0000 0.4375-0.0000 ( 2316 PWs) bands (ev): -58.5112 -58.5112 -31.4007 -31.4007 -22.8179 -22.8179 -22.7204 -22.7204 -18.3979 -18.3979 -8.5747 -8.5747 -7.9542 -7.9542 -7.0991 -7.0991 -2.0884 -2.0884 -1.8547 -1.8547 -1.7766 -1.7766 3.5572 3.5572 6.2151 6.2151 6.3827 6.3827 6.3948 6.3948 6.7762 6.7762 6.7805 6.7805 7.3445 7.3445 7.9138 7.9138 8.0759 8.0759 11.2497 11.2497 13.7230 13.7230 13.9971 13.9971 15.8677 15.8677 k = 0.0000 0.4500-0.0000 ( 2316 PWs) bands (ev): -58.5112 -58.5112 -31.4008 -31.4008 -22.8191 -22.8191 -22.7203 -22.7203 -18.3975 -18.3975 -8.5753 -8.5753 -7.9538 -7.9538 -7.0821 -7.0821 -2.0875 -2.0875 -1.8542 -1.8542 -1.7749 -1.7749 3.5160 3.5160 6.2253 6.2253 6.3691 6.3691 6.3751 6.3751 6.7692 6.7692 6.7707 6.7707 7.3387 7.3387 7.9120 7.9120 8.0746 8.0746 11.2522 11.2522 13.7607 13.7607 14.0350 14.0350 15.8687 15.8687 k = 0.0000 0.4625-0.0000 ( 2332 PWs) bands (ev): -58.5113 -58.5113 -31.4010 -31.4010 -22.8202 -22.8202 -22.7203 -22.7203 -18.3972 -18.3972 -8.5757 -8.5757 -7.9536 -7.9536 -7.0687 -7.0687 -2.0868 -2.0868 -1.8538 -1.8538 -1.7735 -1.7735 3.4836 3.4836 6.2370 6.2370 6.3452 6.3452 6.3690 6.3690 6.7630 6.7630 6.7637 6.7637 7.3342 7.3342 7.9106 7.9106 8.0737 8.0737 11.2540 11.2540 13.7904 13.7904 14.0648 14.0648 15.8695 15.8695 k = 0.0000 0.4750-0.0000 ( 2340 PWs) bands (ev): -58.5113 -58.5113 -31.4011 -31.4011 -22.8209 -22.8209 -22.7203 -22.7203 -18.3970 -18.3970 -8.5760 -8.5760 -7.9534 -7.9534 -7.0591 -7.0591 -2.0864 -2.0864 -1.8536 -1.8536 -1.7725 -1.7725 3.4604 3.4604 6.2500 6.2500 6.3235 6.3235 6.3646 6.3646 6.7576 6.7576 6.7599 6.7599 7.3310 7.3310 7.9096 7.9096 8.0730 8.0730 11.2553 11.2553 13.8118 13.8118 14.0862 14.0862 15.8701 15.8701 k = 0.0000 0.4875-0.0000 ( 2340 PWs) bands (ev): -58.5113 -58.5113 -31.4011 -31.4011 -22.8213 -22.8213 -22.7203 -22.7203 -18.3968 -18.3968 -8.5762 -8.5762 -7.9533 -7.9533 -7.0532 -7.0532 -2.0861 -2.0861 -1.8534 -1.8534 -1.7720 -1.7720 3.4464 3.4464 6.2639 6.2639 6.3043 6.3043 6.3620 6.3620 6.7543 6.7543 6.7576 6.7576 7.3290 7.3290 7.9090 7.9090 8.0725 8.0725 11.2561 11.2561 13.8247 13.8247 14.0992 14.0992 15.8705 15.8705 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -58.5113 -58.5113 -31.4012 -31.4012 -22.8216 -22.8216 -22.7204 -22.7204 -18.3968 -18.3968 -8.5763 -8.5763 -7.9533 -7.9533 -7.0513 -7.0513 -2.0860 -2.0860 -1.8534 -1.8534 -1.7718 -1.7718 3.4417 3.4417 6.2735 6.2735 6.2930 6.2930 6.3611 6.3611 6.7532 6.7532 6.7568 6.7568 7.3283 7.3283 7.9088 7.9088 8.0724 8.0724 11.2563 11.2563 13.8289 13.8289 14.1034 14.1034 15.8705 15.8705 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -58.5113 -58.5113 -31.4012 -31.4012 -22.8216 -22.8216 -22.7204 -22.7204 -18.3968 -18.3968 -8.5763 -8.5763 -7.9533 -7.9533 -7.0513 -7.0513 -2.0860 -2.0860 -1.8534 -1.8534 -1.7718 -1.7718 3.4417 3.4417 6.2735 6.2735 6.2930 6.2930 6.3611 6.3611 6.7532 6.7532 6.7568 6.7568 7.3283 7.3283 7.9088 7.9088 8.0724 8.0724 11.2563 11.2563 13.8289 13.8289 14.1034 14.1034 15.8705 15.8705 k = 0.0125 0.5000-0.0000 ( 2344 PWs) bands (ev): -58.5113 -58.5113 -31.4011 -31.4011 -22.8215 -22.8215 -22.7204 -22.7204 -18.3968 -18.3968 -8.5753 -8.5753 -7.9527 -7.9527 -7.0513 -7.0513 -2.0860 -2.0860 -1.8533 -1.8533 -1.7720 -1.7720 3.4416 3.4416 6.2605 6.2605 6.2947 6.2947 6.3563 6.3563 6.7551 6.7551 6.7638 6.7638 7.3322 7.3322 7.9057 7.9057 8.0684 8.0684 11.2615 11.2615 13.8295 13.8295 14.1041 14.1041 15.8758 15.8758 k = 0.0250 0.5000-0.0000 ( 2326 PWs) bands (ev): -58.5112 -58.5112 -31.4011 -31.4011 -22.8216 -22.8216 -22.7207 -22.7207 -18.3967 -18.3967 -8.5723 -8.5723 -7.9508 -7.9508 -7.0515 -7.0515 -2.0860 -2.0860 -1.8532 -1.8532 -1.7725 -1.7725 3.4416 3.4416 6.2266 6.2266 6.2939 6.2939 6.3460 6.3460 6.7499 6.7499 6.7920 6.7920 7.3439 7.3439 7.8964 7.8964 8.0565 8.0565 11.2767 11.2767 13.8315 13.8315 14.1064 14.1064 15.8912 15.8912 k = 0.0375 0.5000-0.0000 ( 2326 PWs) bands (ev): -58.5112 -58.5112 -31.4012 -31.4012 -22.8217 -22.8217 -22.7212 -22.7212 -18.3966 -18.3966 -8.5674 -8.5674 -7.9478 -7.9478 -7.0518 -7.0518 -2.0862 -2.0862 -1.8531 -1.8531 -1.7735 -1.7735 3.4414 3.4414 6.1761 6.1761 6.2879 6.2879 6.3362 6.3362 6.7412 6.7412 6.8297 6.8297 7.3636 7.3636 7.8811 7.8811 8.0374 8.0374 11.3017 11.3017 13.8346 13.8346 14.1101 14.1101 15.9161 15.9161 k = 0.0500 0.5000-0.0000 ( 2326 PWs) bands (ev): -58.5112 -58.5112 -31.4013 -31.4013 -22.8219 -22.8219 -22.7220 -22.7220 -18.3964 -18.3964 -8.5606 -8.5606 -7.9434 -7.9434 -7.0523 -7.0523 -2.0864 -2.0864 -1.8530 -1.8530 -1.7749 -1.7749 3.4412 3.4412 6.1138 6.1138 6.2763 6.2763 6.3282 6.3282 6.7290 6.7290 6.8704 6.8704 7.3916 7.3916 7.8603 7.8603 8.0119 8.0119 11.3362 11.3362 13.8388 13.8388 14.1154 14.1154 15.9496 15.9496 k = 0.0625 0.5000-0.0000 ( 2322 PWs) bands (ev): -58.5112 -58.5112 -31.4015 -31.4015 -22.8222 -22.8222 -22.7229 -22.7229 -18.3962 -18.3962 -8.5521 -8.5521 -7.9378 -7.9378 -7.0528 -7.0528 -2.0866 -2.0866 -1.8529 -1.8529 -1.7766 -1.7766 3.4410 3.4410 6.0442 6.0442 6.2590 6.2590 6.3213 6.3213 6.7135 6.7135 6.9100 6.9100 7.4279 7.4279 7.8346 7.8346 7.9812 7.9812 11.3796 11.3796 13.8440 13.8440 14.1223 14.1223 15.9904 15.9904 k = 0.0750 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5112 -58.5112 -31.4016 -31.4016 -22.8225 -22.8225 -22.7240 -22.7240 -18.3960 -18.3960 -8.5418 -8.5418 -7.9308 -7.9308 -7.0534 -7.0534 -2.0869 -2.0869 -1.8527 -1.8527 -1.7786 -1.7786 3.4407 3.4407 5.9703 5.9703 6.2354 6.2354 6.3148 6.3148 6.6947 6.6947 6.9463 6.9463 7.4721 7.4721 7.8047 7.8047 7.9464 7.9464 11.4314 11.4314 13.8502 13.8502 14.1311 14.1311 16.0369 16.0369 k = 0.0875 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5112 -58.5112 -31.4018 -31.4018 -22.8229 -22.8229 -22.7253 -22.7253 -18.3958 -18.3958 -8.5301 -8.5301 -7.9224 -7.9224 -7.0542 -7.0542 -2.0873 -2.0873 -1.8525 -1.8525 -1.7810 -1.7810 3.4403 3.4403 5.8939 5.8939 6.2048 6.2048 6.3081 6.3081 6.6730 6.6730 6.9785 6.9785 7.5231 7.5231 7.7717 7.7717 7.9089 7.9089 11.4910 11.4910 13.8571 13.8571 14.1419 14.1419 16.0875 16.0875 k = 0.1000 0.5000-0.0000 ( 2322 PWs) bands (ev): -58.5112 -58.5112 -31.4020 -31.4020 -22.8233 -22.8233 -22.7268 -22.7268 -18.3955 -18.3955 -8.5170 -8.5170 -7.9124 -7.9124 -7.0550 -7.0550 -2.0878 -2.0878 -1.8523 -1.8523 -1.7836 -1.7836 3.4399 3.4399 5.8161 5.8161 6.1664 6.1664 6.3010 6.3010 6.6491 6.6491 7.0068 7.0068 7.5796 7.5796 7.7369 7.7369 7.8696 7.8696 11.5578 11.5578 13.8646 13.8646 14.1548 14.1548 16.1403 16.1403 k = 0.1125 0.5000-0.0000 ( 2322 PWs) bands (ev): -58.5112 -58.5112 -31.4023 -31.4023 -22.8239 -22.8239 -22.7284 -22.7284 -18.3952 -18.3952 -8.5027 -8.5027 -7.9010 -7.9010 -7.0559 -7.0559 -2.0883 -2.0883 -1.8520 -1.8520 -1.7866 -1.7866 3.4394 3.4394 5.7378 5.7378 6.1190 6.1190 6.2934 6.2934 6.6234 6.6234 7.0318 7.0318 7.6395 7.6395 7.7019 7.7019 7.8297 7.8297 11.6309 11.6309 13.8726 13.8726 14.1701 14.1701 16.1938 16.1938 k = 0.1250 0.5000-0.0000 ( 2322 PWs) bands (ev): -58.5111 -58.5111 -31.4025 -31.4025 -22.8245 -22.8245 -22.7301 -22.7301 -18.3948 -18.3948 -8.4875 -8.4875 -7.8878 -7.8878 -7.0568 -7.0568 -2.0889 -2.0889 -1.8517 -1.8517 -1.7897 -1.7897 3.4389 3.4389 5.6596 5.6596 6.0618 6.0618 6.2852 6.2852 6.5970 6.5970 7.0543 7.0543 7.6647 7.6647 7.7030 7.7030 7.7915 7.7915 11.7098 11.7098 13.8808 13.8808 14.1881 14.1881 16.2463 16.2463 k = 0.1375 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5111 -58.5111 -31.4028 -31.4028 -22.8252 -22.8252 -22.7319 -22.7319 -18.3944 -18.3944 -8.4715 -8.4715 -7.8730 -7.8730 -7.0577 -7.0577 -2.0896 -2.0896 -1.8514 -1.8514 -1.7930 -1.7930 3.4384 3.4384 5.5818 5.5818 5.9943 5.9943 6.2765 6.2765 6.5702 6.5702 7.0747 7.0747 7.6326 7.6326 7.7340 7.7340 7.7845 7.7845 11.7937 11.7937 13.8891 13.8891 14.2088 14.2088 16.2966 16.2966 k = 0.1500 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5111 -58.5111 -31.4031 -31.4031 -22.8260 -22.8260 -22.7338 -22.7338 -18.3940 -18.3940 -8.4550 -8.4550 -7.8563 -7.8563 -7.0586 -7.0586 -2.0903 -2.0903 -1.8511 -1.8511 -1.7965 -1.7965 3.4378 3.4378 5.5048 5.5048 5.9164 5.9164 6.2673 6.2673 6.5438 6.5438 7.0937 7.0937 7.6020 7.6020 7.7016 7.7016 7.8429 7.8429 11.8820 11.8820 13.8974 13.8974 14.2326 14.2326 16.3439 16.3439 k = 0.1625 0.5000-0.0000 ( 2312 PWs) bands (ev): -58.5111 -58.5111 -31.4034 -31.4034 -22.8268 -22.8268 -22.7358 -22.7358 -18.3936 -18.3936 -8.4383 -8.4383 -7.8378 -7.8378 -7.0595 -7.0595 -2.0912 -2.0912 -1.8509 -1.8509 -1.8001 -1.8001 3.4372 3.4372 5.4289 5.4289 5.8287 5.8287 6.2576 6.2576 6.5179 6.5179 7.1117 7.1117 7.5742 7.5742 7.6634 7.6634 7.9080 7.9080 11.9742 11.9742 13.9054 13.9054 14.2595 14.2595 16.3875 16.3875 k = 0.1750 0.5000-0.0000 ( 2308 PWs) bands (ev): -58.5110 -58.5110 -31.4037 -31.4037 -22.8278 -22.8278 -22.7378 -22.7378 -18.3931 -18.3931 -8.4214 -8.4214 -7.8174 -7.8174 -7.0604 -7.0604 -2.0921 -2.0921 -1.8507 -1.8507 -1.8036 -1.8036 3.4366 3.4366 5.3541 5.3541 5.7319 5.7319 6.2475 6.2475 6.4927 6.4927 7.1288 7.1288 7.5495 7.5495 7.6258 7.6258 7.9734 7.9734 12.0694 12.0694 13.9132 13.9132 14.2896 14.2896 16.4271 16.4271 k = 0.1875 0.5000-0.0000 ( 2310 PWs) bands (ev): -58.5110 -58.5110 -31.4041 -31.4041 -22.8289 -22.8289 -22.7399 -22.7399 -18.3926 -18.3926 -8.4047 -8.4047 -7.7952 -7.7952 -7.0611 -7.0611 -2.0931 -2.0931 -1.8506 -1.8506 -1.8071 -1.8071 3.4359 3.4359 5.2808 5.2808 5.6274 5.6274 6.2369 6.2369 6.4680 6.4680 7.1452 7.1452 7.5276 7.5276 7.5896 7.5896 8.0378 8.0378 12.1672 12.1672 13.9206 13.9206 14.3229 14.3229 16.4628 16.4628 k = 0.2000 0.5000-0.0000 ( 2308 PWs) bands (ev): -58.5110 -58.5110 -31.4045 -31.4045 -22.8301 -22.8301 -22.7419 -22.7419 -18.3921 -18.3921 -8.3883 -8.3883 -7.7711 -7.7711 -7.0617 -7.0617 -2.0942 -2.0942 -1.8507 -1.8507 -1.8105 -1.8105 3.4353 3.4353 5.2088 5.2088 5.5165 5.5165 6.2261 6.2261 6.4438 6.4438 7.1611 7.1611 7.5082 7.5082 7.5556 7.5556 8.1007 8.1007 12.2669 12.2669 13.9276 13.9276 14.3594 14.3594 16.4947 16.4947 k = 0.2125 0.5000-0.0000 ( 2316 PWs) bands (ev): -58.5110 -58.5110 -31.4048 -31.4048 -22.8314 -22.8314 -22.7439 -22.7439 -18.3916 -18.3916 -8.3724 -8.3724 -7.7453 -7.7453 -7.0621 -7.0621 -2.0953 -2.0953 -1.8510 -1.8510 -1.8136 -1.8136 3.4346 3.4346 5.1381 5.1381 5.4011 5.4011 6.2149 6.2149 6.4198 6.4198 7.1764 7.1764 7.4901 7.4901 7.5249 7.5249 8.1618 8.1618 12.3680 12.3680 13.9342 13.9342 14.3989 14.3989 16.5230 16.5230 k = 0.2250 0.5000-0.0000 ( 2312 PWs) bands (ev): -58.5110 -58.5110 -31.4052 -31.4052 -22.8328 -22.8328 -22.7458 -22.7458 -18.3911 -18.3911 -8.3571 -8.3571 -7.7179 -7.7179 -7.0623 -7.0623 -2.0965 -2.0965 -1.8516 -1.8516 -1.8164 -1.8164 3.4339 3.4339 5.0684 5.0684 5.2828 5.2828 6.2036 6.2036 6.3961 6.3961 7.1910 7.1910 7.4710 7.4710 7.4999 7.4999 8.2207 8.2207 12.4701 12.4701 13.9406 13.9406 14.4414 14.4414 16.5482 16.5482 k = 0.2375 0.5000-0.0000 ( 2316 PWs) bands (ev): -58.5109 -58.5109 -31.4056 -31.4056 -22.8343 -22.8343 -22.7477 -22.7477 -18.3906 -18.3906 -8.3426 -8.3426 -7.6890 -7.6890 -7.0622 -7.0622 -2.0978 -2.0978 -1.8527 -1.8527 -1.8187 -1.8187 3.4331 3.4331 4.9985 4.9985 5.1642 5.1642 6.1921 6.1921 6.3726 6.3726 7.2049 7.2049 7.4490 7.4490 7.4825 7.4825 8.2772 8.2772 12.5724 12.5724 13.9465 13.9465 14.4867 14.4867 16.5704 16.5704 k = 0.2500 0.5000-0.0000 ( 2324 PWs) bands (ev): -58.5109 -58.5109 -31.4060 -31.4060 -22.8360 -22.8360 -22.7495 -22.7495 -18.3901 -18.3901 -8.3288 -8.3288 -7.6590 -7.6590 -7.0617 -7.0617 -2.0992 -2.0992 -1.8542 -1.8542 -1.8204 -1.8204 3.4324 3.4324 4.9253 4.9253 5.0498 5.0498 6.1806 6.1806 6.3491 6.3491 7.2176 7.2176 7.4261 7.4261 7.4707 7.4707 8.3311 8.3311 12.6745 12.6745 13.9522 13.9522 14.5344 14.5344 16.5900 16.5900 k = 0.2625 0.5000-0.0000 ( 2316 PWs) bands (ev): -58.5109 -58.5109 -31.4064 -31.4064 -22.8377 -22.8377 -22.7512 -22.7512 -18.3896 -18.3896 -8.3159 -8.3159 -7.6280 -7.6280 -7.0608 -7.0608 -2.1005 -2.1005 -1.8561 -1.8561 -1.8216 -1.8216 3.4317 3.4317 4.8412 4.8412 4.9484 4.9484 6.1690 6.1690 6.3259 6.3259 7.2287 7.2287 7.4049 7.4049 7.4621 7.4621 8.3823 8.3823 12.7760 12.7760 13.9577 13.9577 14.5844 14.5844 16.6074 16.6074 k = 0.2750 0.5000-0.0000 ( 2316 PWs) bands (ev): -58.5109 -58.5109 -31.4068 -31.4068 -22.8394 -22.8394 -22.7528 -22.7528 -18.3890 -18.3890 -8.3038 -8.3038 -7.5965 -7.5965 -7.0594 -7.0594 -2.1019 -2.1019 -1.8584 -1.8584 -1.8222 -1.8222 3.4309 3.4309 4.7394 4.7394 4.8678 4.8678 6.1575 6.1575 6.3028 6.3028 7.2377 7.2377 7.3870 7.3870 7.4556 7.4556 8.4308 8.4308 12.8761 12.8761 13.9630 13.9630 14.6363 14.6363 16.6228 16.6228 k = 0.2875 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5108 -58.5108 -31.4072 -31.4072 -22.8413 -22.8413 -22.7543 -22.7543 -18.3885 -18.3885 -8.2926 -8.2926 -7.5649 -7.5649 -7.0573 -7.0573 -2.1034 -2.1034 -1.8610 -1.8610 -1.8224 -1.8224 3.4301 3.4301 4.6267 4.6267 4.8025 4.8025 6.1461 6.1461 6.2800 6.2800 7.2434 7.2434 7.3735 7.3735 7.4506 7.4506 8.4764 8.4764 12.9743 12.9743 13.9683 13.9683 14.6896 14.6896 16.6365 16.6365 k = 0.3000 0.5000-0.0000 ( 2324 PWs) bands (ev): -58.5108 -58.5108 -31.4076 -31.4076 -22.8431 -22.8431 -22.7557 -22.7557 -18.3880 -18.3880 -8.2822 -8.2822 -7.5334 -7.5334 -7.0545 -7.0545 -2.1048 -2.1048 -1.8638 -1.8638 -1.8223 -1.8223 3.4294 3.4294 4.5110 4.5110 4.7453 4.7453 6.1349 6.1349 6.2576 6.2576 7.2452 7.2452 7.3654 7.3654 7.4467 7.4467 8.5190 8.5190 13.0702 13.0702 13.9734 13.9734 14.7441 14.7441 16.6486 16.6486 k = 0.3125 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5108 -58.5108 -31.4079 -31.4079 -22.8450 -22.8450 -22.7570 -22.7570 -18.3875 -18.3875 -8.2726 -8.2726 -7.5025 -7.5025 -7.0509 -7.0509 -2.1063 -2.1063 -1.8667 -1.8667 -1.8219 -1.8219 3.4285 3.4285 4.3963 4.3963 4.6931 4.6931 6.1238 6.1238 6.2358 6.2358 7.2428 7.2428 7.3628 7.3628 7.4438 7.4438 8.5588 8.5588 13.1631 13.1631 13.9787 13.9787 14.7992 14.7992 16.6594 16.6594 k = 0.3250 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5108 -58.5108 -31.4083 -31.4083 -22.8469 -22.8469 -22.7581 -22.7581 -18.3871 -18.3871 -8.2638 -8.2638 -7.4727 -7.4727 -7.0464 -7.0464 -2.1077 -2.1077 -1.8696 -1.8696 -1.8212 -1.8212 3.4277 3.4277 4.2845 4.2845 4.6449 4.6449 6.1130 6.1130 6.2148 6.2148 7.2369 7.2369 7.3648 7.3648 7.4416 7.4416 8.5957 8.5957 13.2525 13.2525 13.9842 13.9842 14.8544 14.8544 16.6689 16.6689 k = 0.3375 0.5000-0.0000 ( 2314 PWs) bands (ev): -58.5107 -58.5107 -31.4086 -31.4086 -22.8488 -22.8488 -22.7591 -22.7591 -18.3866 -18.3866 -8.2558 -8.2558 -7.4444 -7.4444 -7.0408 -7.0408 -2.1090 -2.1090 -1.8724 -1.8724 -1.8204 -1.8204 3.4268 3.4268 4.1770 4.1770 4.6003 4.6003 6.1025 6.1025 6.1946 6.1946 7.2290 7.2290 7.3699 7.3699 7.4400 7.4400 8.6297 8.6297 13.3378 13.3378 13.9900 13.9900 14.9093 14.9093 16.6774 16.6774 k = 0.3500 0.5000-0.0000 ( 2314 PWs) bands (ev): -58.5107 -58.5107 -31.4089 -31.4089 -22.8506 -22.8506 -22.7601 -22.7601 -18.3862 -18.3862 -8.2485 -8.2485 -7.4179 -7.4179 -7.0342 -7.0342 -2.1104 -2.1104 -1.8752 -1.8752 -1.8196 -1.8196 3.4258 3.4258 4.0745 4.0745 4.5590 4.5590 6.0924 6.0924 6.1755 6.1755 7.2202 7.2202 7.3767 7.3767 7.4390 7.4390 8.6609 8.6609 13.4182 13.4182 13.9962 13.9962 14.9632 14.9632 16.6848 16.6848 k = 0.3625 0.5000-0.0000 ( 2306 PWs) bands (ev): -58.5107 -58.5107 -31.4092 -31.4092 -22.8524 -22.8524 -22.7609 -22.7609 -18.3857 -18.3857 -8.2418 -8.2418 -7.3937 -7.3937 -7.0265 -7.0265 -2.1116 -2.1116 -1.8778 -1.8778 -1.8187 -1.8187 3.4247 3.4247 3.9778 3.9778 4.5209 4.5209 6.0825 6.0825 6.1575 6.1575 7.2113 7.2113 7.3845 7.3845 7.4384 7.4384 8.6892 8.6892 13.4933 13.4933 14.0031 14.0031 15.0157 15.0157 16.6915 16.6915 k = 0.3750 0.5000-0.0000 ( 2302 PWs) bands (ev): -58.5107 -58.5107 -31.4095 -31.4095 -22.8541 -22.8541 -22.7616 -22.7616 -18.3853 -18.3853 -8.2359 -8.2359 -7.3719 -7.3719 -7.0178 -7.0178 -2.1128 -2.1128 -1.8802 -1.8802 -1.8178 -1.8178 3.4234 3.4234 3.8878 3.8878 4.4861 4.4861 6.0731 6.0731 6.1410 6.1410 7.2028 7.2028 7.3924 7.3924 7.4381 7.4381 8.7148 8.7148 13.5623 13.5623 14.0108 14.0108 15.0662 15.0662 16.6973 16.6973 k = 0.3875 0.5000-0.0000 ( 2306 PWs) bands (ev): -58.5106 -58.5106 -31.4098 -31.4098 -22.8557 -22.8557 -22.7623 -22.7623 -18.3850 -18.3850 -8.2306 -8.2306 -7.3527 -7.3527 -7.0083 -7.0083 -2.1140 -2.1140 -1.8825 -1.8825 -1.8169 -1.8169 3.4218 3.4218 3.8049 3.8049 4.4545 4.4545 6.0640 6.0640 6.1260 6.1260 7.1949 7.1949 7.4001 7.4001 7.4381 7.4381 8.7378 8.7378 13.6244 13.6244 14.0196 14.0196 15.1140 15.1140 16.7024 16.7024 k = 0.4000 0.5000-0.0000 ( 2302 PWs) bands (ev): -58.5106 -58.5106 -31.4100 -31.4100 -22.8572 -22.8572 -22.7628 -22.7628 -18.3846 -18.3846 -8.2259 -8.2259 -7.3361 -7.3361 -6.9983 -6.9983 -2.1150 -2.1150 -1.8845 -1.8845 -1.8160 -1.8160 3.4199 3.4199 3.7300 3.7300 4.4262 4.4262 6.0554 6.0554 6.1127 6.1127 7.1877 7.1877 7.4074 7.4074 7.4383 7.4383 8.7581 8.7581 13.6790 13.6790 14.0298 14.0298 15.1587 15.1587 16.7069 16.7069 k = 0.4125 0.5000-0.0000 ( 2310 PWs) bands (ev): -58.5106 -58.5106 -31.4102 -31.4102 -22.8586 -22.8586 -22.7633 -22.7633 -18.3844 -18.3844 -8.2218 -8.2218 -7.3221 -7.3221 -6.9880 -6.9880 -2.1160 -2.1160 -1.8863 -1.8863 -1.8152 -1.8152 3.4172 3.4172 3.6636 3.6636 4.4011 4.4011 6.0473 6.0473 6.1010 6.1010 7.1814 7.1814 7.4139 7.4139 7.4388 7.4388 8.7758 8.7758 13.7257 13.7257 14.0413 14.0413 15.1995 15.1995 16.7107 16.7107 k = 0.4250 0.5000-0.0000 ( 2316 PWs) bands (ev): -58.5106 -58.5106 -31.4104 -31.4104 -22.8598 -22.8598 -22.7638 -22.7638 -18.3841 -18.3841 -8.2182 -8.2182 -7.3106 -7.3106 -6.9780 -6.9780 -2.1168 -2.1168 -1.8879 -1.8879 -1.8145 -1.8145 3.4136 3.4136 3.6065 3.6065 4.3793 4.3793 6.0399 6.0399 6.0911 6.0911 7.1760 7.1760 7.4196 7.4196 7.4395 7.4395 8.7911 8.7911 13.7641 13.7641 14.0541 14.0541 15.2361 15.2361 16.7139 16.7139 k = 0.4375 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4106 -31.4106 -22.8609 -22.8609 -22.7641 -22.7641 -18.3839 -18.3839 -8.2153 -8.2153 -7.3013 -7.3013 -6.9686 -6.9686 -2.1175 -2.1175 -1.8893 -1.8893 -1.8139 -1.8139 3.4085 3.4085 3.5597 3.5597 4.3609 4.3609 6.0332 6.0332 6.0829 6.0829 7.1714 7.1714 7.4243 7.4243 7.4404 7.4404 8.8039 8.8039 13.7946 13.7946 14.0676 14.0676 15.2680 15.2680 16.7166 16.7166 k = 0.4500 0.5000-0.0000 ( 2324 PWs) bands (ev): -58.5106 -58.5106 -31.4108 -31.4108 -22.8618 -22.8618 -22.7644 -22.7644 -18.3837 -18.3837 -8.2129 -8.2129 -7.2940 -7.2940 -6.9603 -6.9603 -2.1181 -2.1181 -1.8904 -1.8904 -1.8133 -1.8133 3.4013 3.4013 3.5239 3.5239 4.3458 4.3458 6.0274 6.0274 6.0763 6.0763 7.1677 7.1677 7.4278 7.4278 7.4416 7.4416 8.8143 8.8143 13.8177 13.8177 14.0809 14.0809 15.2947 15.2947 16.7188 16.7188 k = 0.4625 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4108 -31.4108 -22.8625 -22.8625 -22.7646 -22.7646 -18.3836 -18.3836 -8.2110 -8.2110 -7.2886 -7.2886 -6.9534 -6.9534 -2.1186 -2.1186 -1.8913 -1.8913 -1.8129 -1.8129 3.3924 3.3924 3.4991 3.4991 4.3340 4.3340 6.0228 6.0228 6.0714 6.0714 7.1648 7.1648 7.4302 7.4302 7.4429 7.4429 8.8224 8.8224 13.8344 13.8344 14.0929 14.0929 15.3159 15.3159 16.7205 16.7205 k = 0.4750 0.5000-0.0000 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4109 -31.4109 -22.8630 -22.8630 -22.7648 -22.7648 -18.3835 -18.3835 -8.2097 -8.2097 -7.2848 -7.2848 -6.9483 -6.9483 -2.1189 -2.1189 -1.8919 -1.8919 -1.8126 -1.8126 3.3832 3.3832 3.4841 3.4841 4.3256 4.3256 6.0193 6.0193 6.0679 6.0679 7.1627 7.1627 7.4317 7.4317 7.4441 7.4441 8.8281 8.8281 13.8455 13.8455 14.1024 14.1024 15.3313 15.3313 16.7216 16.7216 k = 0.4875 0.5000-0.0000 ( 2308 PWs) bands (ev): -58.5106 -58.5106 -31.4109 -31.4109 -22.8632 -22.8632 -22.7648 -22.7648 -18.3834 -18.3834 -8.2089 -8.2089 -7.2826 -7.2826 -6.9451 -6.9451 -2.1191 -2.1191 -1.8922 -1.8922 -1.8124 -1.8124 3.3764 3.3764 3.4764 3.4764 4.3205 4.3205 6.0172 6.0172 6.0658 6.0658 7.1615 7.1615 7.4325 7.4325 7.4450 7.4450 8.8315 8.8315 13.8519 13.8519 14.1085 14.1085 15.3406 15.3406 16.7224 16.7224 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -58.5106 -58.5106 -31.4109 -31.4109 -22.8633 -22.8633 -22.7648 -22.7648 -18.3834 -18.3834 -8.2086 -8.2086 -7.2819 -7.2819 -6.9440 -6.9440 -2.1191 -2.1191 -1.8923 -1.8923 -1.8123 -1.8123 3.3739 3.3739 3.4740 3.4740 4.3188 4.3188 6.0165 6.0165 6.0651 6.0651 7.1611 7.1611 7.4328 7.4328 7.4453 7.4453 8.8327 8.8327 13.8540 13.8540 14.1107 14.1107 15.3437 15.3437 16.7226 16.7226 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -58.5106 -58.5106 -31.4109 -31.4109 -22.8633 -22.8633 -22.7648 -22.7648 -18.3834 -18.3834 -8.2086 -8.2086 -7.2819 -7.2819 -6.9440 -6.9440 -2.1191 -2.1191 -1.8923 -1.8923 -1.8123 -1.8123 3.3739 3.3739 3.4740 3.4740 4.3188 4.3188 6.0165 6.0165 6.0651 6.0651 7.1611 7.1611 7.4328 7.4328 7.4453 7.4453 8.8327 8.8327 13.8540 13.8540 14.1107 14.1107 15.3437 15.3437 16.7226 16.7226 k = 0.4911 0.4911-0.0000 ( 2308 PWs) bands (ev): -58.5106 -58.5106 -31.4109 -31.4109 -22.8632 -22.8632 -22.7648 -22.7648 -18.3834 -18.3834 -8.2089 -8.2089 -7.2827 -7.2827 -6.9451 -6.9451 -2.1191 -2.1191 -1.8922 -1.8922 -1.8124 -1.8124 3.3765 3.3765 3.4763 3.4763 4.3206 4.3206 6.0172 6.0172 6.0658 6.0658 7.1615 7.1615 7.4325 7.4325 7.4450 7.4450 8.8315 8.8315 13.8518 13.8518 14.1085 14.1085 15.3405 15.3405 16.7224 16.7224 k = 0.4821 0.4821-0.0000 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4109 -31.4109 -22.8630 -22.8630 -22.7648 -22.7648 -18.3835 -18.3835 -8.2097 -8.2097 -7.2849 -7.2849 -6.9484 -6.9484 -2.1189 -2.1189 -1.8919 -1.8919 -1.8126 -1.8126 3.3843 3.3843 3.4834 3.4834 4.3257 4.3257 6.0194 6.0194 6.0679 6.0679 7.1628 7.1628 7.4316 7.4316 7.4442 7.4442 8.8280 8.8280 13.8455 13.8455 14.1020 14.1020 15.3310 15.3310 16.7216 16.7216 k = 0.4732 0.4732-0.0000 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4108 -31.4108 -22.8625 -22.8625 -22.7646 -22.7646 -18.3836 -18.3836 -8.2111 -8.2111 -7.2885 -7.2885 -6.9539 -6.9539 -2.1186 -2.1186 -1.8913 -1.8913 -1.8129 -1.8129 3.3974 3.3974 3.4951 3.4951 4.3343 4.3343 6.0230 6.0230 6.0715 6.0715 7.1648 7.1648 7.4296 7.4296 7.4434 7.4434 8.8222 8.8222 13.8352 13.8352 14.0912 14.0912 15.3151 15.3151 16.7204 16.7204 k = 0.4643 0.4643-0.0000 ( 2324 PWs) bands (ev): -58.5106 -58.5106 -31.4107 -31.4107 -22.8618 -22.8618 -22.7644 -22.7644 -18.3837 -18.3837 -8.2129 -8.2129 -7.2937 -7.2937 -6.9615 -6.9615 -2.1181 -2.1181 -1.8904 -1.8904 -1.8133 -1.8133 3.4155 3.4155 3.5115 3.5115 4.3464 4.3464 6.0278 6.0278 6.0765 6.0765 7.1677 7.1677 7.4263 7.4263 7.4430 7.4430 8.8142 8.8142 13.8206 13.8206 14.0763 14.0763 15.2930 15.2930 16.7187 16.7187 k = 0.4554 0.4554-0.0000 ( 2312 PWs) bands (ev): -58.5106 -58.5106 -31.4106 -31.4106 -22.8608 -22.8608 -22.7641 -22.7641 -18.3839 -18.3839 -8.2153 -8.2153 -7.3002 -7.3002 -6.9712 -6.9712 -2.1175 -2.1175 -1.8893 -1.8893 -1.8139 -1.8139 3.4386 3.4386 3.5327 3.5327 4.3618 4.3618 6.0340 6.0340 6.0831 6.0831 7.1715 7.1715 7.4216 7.4216 7.4431 7.4431 8.8039 8.8039 13.8021 13.8021 14.0572 14.0572 15.2649 15.2649 16.7164 16.7164 k = 0.4464 0.4464-0.0000 ( 2314 PWs) bands (ev): -58.5106 -58.5106 -31.4104 -31.4104 -22.8597 -22.8597 -22.7638 -22.7638 -18.3842 -18.3842 -8.2182 -8.2182 -7.3081 -7.3081 -6.9830 -6.9830 -2.1169 -2.1169 -1.8880 -1.8880 -1.8145 -1.8145 3.4664 3.4664 3.5586 3.5586 4.3808 4.3808 6.0412 6.0412 6.0913 6.0913 7.1760 7.1760 7.4155 7.4155 7.4438 7.4438 8.7915 8.7915 13.7794 13.7794 14.0339 14.0339 15.2307 15.2307 16.7135 16.7135 k = 0.4375 0.4375-0.0000 ( 2314 PWs) bands (ev): -58.5107 -58.5107 -31.4102 -31.4102 -22.8584 -22.8584 -22.7634 -22.7634 -18.3844 -18.3844 -8.2216 -8.2216 -7.3174 -7.3174 -6.9967 -6.9967 -2.1162 -2.1162 -1.8864 -1.8864 -1.8152 -1.8152 3.4988 3.4988 3.5893 3.5893 4.4031 4.4031 6.0495 6.0495 6.1012 6.1012 7.1812 7.1812 7.4084 7.4084 7.4449 7.4449 8.7770 8.7770 13.7528 13.7528 14.0067 14.0067 15.1907 15.1907 16.7100 16.7100 k = 0.4286 0.4286-0.0000 ( 2322 PWs) bands (ev): -58.5107 -58.5107 -31.4100 -31.4100 -22.8569 -22.8569 -22.7630 -22.7630 -18.3848 -18.3848 -8.2255 -8.2255 -7.3281 -7.3281 -7.0123 -7.0123 -2.1155 -2.1155 -1.8847 -1.8847 -1.8160 -1.8160 3.5353 3.5353 3.6249 3.6249 4.4290 4.4290 6.0586 6.0586 6.1130 6.1130 7.1873 7.1873 7.4006 7.4006 7.4463 7.4463 8.7604 8.7604 13.7222 13.7222 13.9755 13.9755 15.1450 15.1450 16.7058 16.7058 k = 0.4196 0.4196-0.0000 ( 2318 PWs) bands (ev): -58.5107 -58.5107 -31.4097 -31.4097 -22.8552 -22.8552 -22.7625 -22.7625 -18.3851 -18.3851 -8.2299 -8.2299 -7.3400 -7.3400 -7.0297 -7.0297 -2.1147 -2.1147 -1.8829 -1.8829 -1.8168 -1.8168 3.5758 3.5758 3.6654 3.6654 4.4582 4.4582 6.0685 6.0685 6.1266 6.1266 7.1940 7.1940 7.3922 7.3922 7.4481 7.4481 8.7420 8.7420 13.6877 13.6877 13.9406 13.9406 15.0938 15.0938 16.7009 16.7009 k = 0.4107 0.4107-0.0000 ( 2314 PWs) bands (ev): -58.5107 -58.5107 -31.4094 -31.4094 -22.8532 -22.8532 -22.7620 -22.7620 -18.3855 -18.3855 -8.2347 -8.2347 -7.3531 -7.3531 -7.0488 -7.0488 -2.1139 -2.1139 -1.8809 -1.8809 -1.8176 -1.8176 3.6199 3.6199 3.7109 3.7109 4.4909 4.4909 6.0789 6.0789 6.1422 6.1422 7.2013 7.2013 7.3836 7.3836 7.4502 7.4502 8.7217 8.7217 13.6495 13.6495 13.9020 13.9020 15.0375 15.0375 16.6951 16.6951 k = 0.4018 0.4018-0.0000 ( 2320 PWs) bands (ev): -58.5107 -58.5107 -31.4092 -31.4092 -22.8512 -22.8512 -22.7614 -22.7614 -18.3860 -18.3860 -8.2399 -8.2399 -7.3674 -7.3674 -7.0694 -7.0694 -2.1131 -2.1131 -1.8788 -1.8788 -1.8183 -1.8183 3.6673 3.6673 3.7614 3.7614 4.5271 4.5271 6.0900 6.0900 6.1598 6.1598 7.2092 7.2092 7.3750 7.3750 7.4525 7.4525 8.6997 8.6997 13.6076 13.6076 13.8599 13.8599 14.9763 14.9763 16.6885 16.6885 k = 0.3929 0.3929-0.0000 ( 2318 PWs) bands (ev): -58.5107 -58.5107 -31.4088 -31.4088 -22.8490 -22.8490 -22.7607 -22.7607 -18.3865 -18.3865 -8.2456 -8.2456 -7.3829 -7.3829 -7.0915 -7.0915 -2.1124 -2.1124 -1.8767 -1.8767 -1.8190 -1.8190 3.7177 3.7177 3.8168 3.8168 4.5667 4.5667 6.1015 6.1015 6.1793 6.1793 7.2173 7.2173 7.3669 7.3669 7.4552 7.4552 8.6761 8.6761 13.5622 13.5622 13.8144 13.8144 14.9104 14.9104 16.6809 16.6809 k = 0.3839 0.3839-0.0000 ( 2314 PWs) bands (ev): -58.5108 -58.5108 -31.4084 -31.4084 -22.8465 -22.8465 -22.7600 -22.7600 -18.3871 -18.3871 -8.2517 -8.2517 -7.3994 -7.3994 -7.1150 -7.1150 -2.1117 -2.1117 -1.8747 -1.8747 -1.8196 -1.8196 3.7708 3.7708 3.8769 3.8769 4.6098 4.6098 6.1135 6.1135 6.2007 6.2007 7.2255 7.2255 7.3597 7.3597 7.4583 7.4583 8.6511 8.6511 13.5133 13.5133 13.7656 13.7656 14.8401 14.8401 16.6724 16.6724 k = 0.3750 0.3750-0.0000 ( 2314 PWs) bands (ev): -58.5108 -58.5108 -31.4081 -31.4081 -22.8440 -22.8440 -22.7593 -22.7593 -18.3877 -18.3877 -8.2582 -8.2582 -7.4168 -7.4168 -7.1397 -7.1397 -2.1111 -2.1111 -1.8728 -1.8728 -1.8200 -1.8200 3.8265 3.8265 3.9417 3.9417 4.6564 4.6564 6.1259 6.1259 6.2240 6.2240 7.2332 7.2332 7.3542 7.3542 7.4616 7.4616 8.6247 8.6247 13.4611 13.4611 13.7138 13.7138 14.7658 14.7658 16.6629 16.6629 k = 0.3661 0.3661-0.0000 ( 2308 PWs) bands (ev): -58.5108 -58.5108 -31.4076 -31.4076 -22.8412 -22.8412 -22.7585 -22.7585 -18.3883 -18.3883 -8.2651 -8.2651 -7.4352 -7.4352 -7.1654 -7.1654 -2.1106 -2.1106 -1.8710 -1.8710 -1.8202 -1.8202 3.8847 3.8847 4.0107 4.0107 4.7065 4.7065 6.1387 6.1387 6.2492 6.2492 7.2401 7.2401 7.3510 7.3510 7.4654 7.4654 8.5971 8.5971 13.4058 13.4058 13.6591 13.6591 14.6877 14.6877 16.6522 16.6522 k = 0.3571 0.3571-0.0000 ( 2312 PWs) bands (ev): -58.5108 -58.5108 -31.4072 -31.4072 -22.8384 -22.8384 -22.7577 -22.7577 -18.3890 -18.3890 -8.2724 -8.2724 -7.4544 -7.4544 -7.1921 -7.1921 -2.1101 -2.1101 -1.8695 -1.8695 -1.8203 -1.8203 3.9452 3.9452 4.0838 4.0838 4.7601 4.7601 6.1518 6.1518 6.2761 6.2761 7.2453 7.2453 7.3509 7.3509 7.4695 7.4695 8.5684 8.5684 13.3474 13.3474 13.6016 13.6016 14.6060 14.6060 16.6404 16.6404 k = 0.3482 0.3482-0.0000 ( 2318 PWs) bands (ev): -58.5109 -58.5109 -31.4068 -31.4068 -22.8354 -22.8354 -22.7569 -22.7569 -18.3897 -18.3897 -8.2800 -8.2800 -7.4744 -7.4744 -7.2196 -7.2196 -2.1098 -2.1098 -1.8684 -1.8684 -1.8200 -1.8200 4.0079 4.0079 4.1605 4.1605 4.8171 4.8171 6.1653 6.1653 6.3048 6.3048 7.2487 7.2487 7.3545 7.3545 7.4740 7.4740 8.5388 8.5388 13.2863 13.2863 13.5415 13.5415 14.5212 14.5212 16.6273 16.6273 k = 0.3393 0.3393-0.0000 ( 2318 PWs) bands (ev): -58.5109 -58.5109 -31.4063 -31.4063 -22.8323 -22.8323 -22.7560 -22.7560 -18.3905 -18.3905 -8.2880 -8.2880 -7.4950 -7.4950 -7.2477 -7.2477 -2.1096 -2.1096 -1.8675 -1.8675 -1.8195 -1.8195 4.0726 4.0726 4.2405 4.2405 4.8777 4.8777 6.1791 6.1791 6.3351 6.3351 7.2502 7.2502 7.3619 7.3619 7.4790 7.4790 8.5084 8.5084 13.2225 13.2225 13.4790 13.4790 14.4335 14.4335 16.6130 16.6130 k = 0.3304 0.3304-0.0000 ( 2318 PWs) bands (ev): -58.5109 -58.5109 -31.4058 -31.4058 -22.8290 -22.8290 -22.7550 -22.7550 -18.3914 -18.3914 -8.2964 -8.2964 -7.5162 -7.5162 -7.2764 -7.2764 -2.1096 -2.1096 -1.8671 -1.8671 -1.8188 -1.8188 4.1392 4.1392 4.3236 4.3236 4.9419 4.9419 6.1932 6.1932 6.3671 6.3671 7.2504 7.2504 7.3727 7.3727 7.4846 7.4846 8.4774 8.4774 13.1564 13.1564 13.4141 13.4141 14.3432 14.3432 16.5975 16.5975 k = 0.3214 0.3214-0.0000 ( 2314 PWs) bands (ev): -58.5109 -58.5109 -31.4053 -31.4053 -22.8256 -22.8256 -22.7541 -22.7541 -18.3923 -18.3923 -8.3051 -8.3051 -7.5378 -7.5378 -7.3055 -7.3055 -2.1096 -2.1096 -1.8669 -1.8669 -1.8179 -1.8179 4.2074 4.2074 4.4093 4.4093 5.0095 5.0095 6.2075 6.2075 6.4007 6.4007 7.2501 7.2501 7.3862 7.3862 7.4907 7.4907 8.4458 8.4458 13.0880 13.0880 13.3472 13.3472 14.2506 14.2506 16.5808 16.5808 k = 0.3125 0.3125-0.0000 ( 2314 PWs) bands (ev): -58.5110 -58.5110 -31.4048 -31.4048 -22.8222 -22.8222 -22.7531 -22.7531 -18.3932 -18.3932 -8.3141 -8.3141 -7.5598 -7.5598 -7.3349 -7.3349 -2.1098 -2.1098 -1.8671 -1.8671 -1.8169 -1.8169 4.2771 4.2771 4.4974 4.4974 5.0807 5.0807 6.2221 6.2221 6.4358 6.4358 7.2499 7.2499 7.4020 7.4020 7.4975 7.4975 8.4140 8.4140 13.0176 13.0176 13.2782 13.2782 14.1558 14.1558 16.5627 16.5627 k = 0.3036 0.3036-0.0000 ( 2310 PWs) bands (ev): -58.5110 -58.5110 -31.4043 -31.4043 -22.8186 -22.8186 -22.7521 -22.7521 -18.3941 -18.3941 -8.3235 -8.3235 -7.5821 -7.5821 -7.3645 -7.3645 -2.1100 -2.1100 -1.8676 -1.8676 -1.8158 -1.8158 4.3480 4.3480 4.5874 4.5874 5.1553 5.1553 6.2369 6.2369 6.4724 6.4724 7.2505 7.2505 7.4192 7.4192 7.5052 7.5052 8.3819 8.3819 12.9454 12.9454 13.2074 13.2074 14.0591 14.0591 16.5434 16.5434 k = 0.2946 0.2946-0.0000 ( 2304 PWs) bands (ev): -58.5110 -58.5110 -31.4037 -31.4037 -22.8150 -22.8150 -22.7510 -22.7510 -18.3951 -18.3951 -8.3332 -8.3332 -7.6045 -7.6045 -7.3941 -7.3941 -2.1105 -2.1105 -1.8682 -1.8682 -1.8148 -1.8148 4.4199 4.4199 4.6791 4.6791 5.2334 5.2334 6.2518 6.2518 6.5105 6.5105 7.2522 7.2522 7.4376 7.4376 7.5141 7.5141 8.3498 8.3498 12.8717 12.8717 13.1349 13.1349 13.9608 13.9608 16.5229 16.5229 k = 0.2857 0.2857-0.0000 ( 2308 PWs) bands (ev): -58.5111 -58.5111 -31.4032 -31.4032 -22.8113 -22.8113 -22.7499 -22.7499 -18.3962 -18.3962 -8.3433 -8.3433 -7.6269 -7.6269 -7.4236 -7.4236 -2.1110 -2.1110 -1.8691 -1.8691 -1.8140 -1.8140 4.4927 4.4927 4.7722 4.7722 5.3149 5.3149 6.2670 6.2670 6.5499 6.5499 7.2554 7.2554 7.4565 7.4565 7.5243 7.5243 8.3178 8.3178 12.7967 12.7967 13.0609 13.0609 13.8611 13.8611 16.5010 16.5010 k = 0.2768 0.2768-0.0000 ( 2316 PWs) bands (ev): -58.5111 -58.5111 -31.4027 -31.4027 -22.8076 -22.8076 -22.7489 -22.7489 -18.3973 -18.3973 -8.3538 -8.3538 -7.6493 -7.6493 -7.4529 -7.4529 -2.1117 -2.1117 -1.8701 -1.8701 -1.8134 -1.8134 4.5659 4.5659 4.8662 4.8662 5.3997 5.3997 6.2823 6.2823 6.5907 6.5907 7.2604 7.2604 7.4753 7.4753 7.5366 7.5366 8.2861 8.2861 12.7205 12.7205 12.9854 12.9854 13.7602 13.7602 16.4779 16.4779 k = 0.2679 0.2679-0.0000 ( 2316 PWs) bands (ev): -58.5112 -58.5112 -31.4021 -31.4021 -22.8038 -22.8038 -22.7478 -22.7478 -18.3984 -18.3984 -8.3647 -8.3647 -7.6714 -7.6714 -7.4820 -7.4820 -2.1125 -2.1125 -1.8712 -1.8712 -1.8131 -1.8131 4.6395 4.6395 4.9609 4.9609 5.4876 5.4876 6.2978 6.2978 6.6327 6.6327 7.2674 7.2674 7.4933 7.4933 7.5514 7.5514 8.2547 8.2547 12.6434 12.6434 12.9088 12.9088 13.6583 13.6583 16.4536 16.4536 k = 0.2589 0.2589-0.0000 ( 2318 PWs) bands (ev): -58.5112 -58.5112 -31.4016 -31.4016 -22.7999 -22.7999 -22.7467 -22.7467 -18.3996 -18.3996 -8.3759 -8.3759 -7.6932 -7.6932 -7.5108 -7.5108 -2.1134 -2.1134 -1.8724 -1.8724 -1.8131 -1.8131 4.7131 4.7131 5.0559 5.0559 5.5786 5.5786 6.3134 6.3134 6.6758 6.6758 7.2764 7.2764 7.5099 7.5099 7.5693 7.5693 8.2239 8.2239 12.5657 12.5657 12.8311 12.8311 13.5556 13.5556 16.4282 16.4282 k = 0.2500 0.2500-0.0000 ( 2318 PWs) bands (ev): -58.5112 -58.5112 -31.4010 -31.4010 -22.7961 -22.7961 -22.7456 -22.7456 -18.4008 -18.4008 -8.3875 -8.3875 -7.7146 -7.7146 -7.5391 -7.5391 -2.1145 -2.1145 -1.8735 -1.8735 -1.8134 -1.8134 4.7865 4.7865 5.1509 5.1509 5.6723 5.6723 6.3293 6.3293 6.7201 6.7201 7.2877 7.2877 7.5252 7.5252 7.5902 7.5902 8.1938 8.1938 12.4876 12.4876 12.7524 12.7524 13.4523 13.4523 16.4017 16.4017 k = 0.2411 0.2411-0.0000 ( 2318 PWs) bands (ev): -58.5113 -58.5113 -31.4004 -31.4004 -22.7922 -22.7922 -22.7445 -22.7445 -18.4020 -18.4020 -8.3994 -8.3994 -7.7355 -7.7355 -7.5669 -7.5669 -2.1156 -2.1156 -1.8747 -1.8747 -1.8142 -1.8142 4.8594 4.8594 5.2456 5.2456 5.7686 5.7686 6.3455 6.3455 6.7654 6.7654 7.3013 7.3013 7.5397 7.5397 7.6137 7.6137 8.1644 8.1644 12.4092 12.4092 12.6730 12.6730 13.3486 13.3486 16.3742 16.3742 k = 0.2321 0.2321-0.0000 ( 2316 PWs) bands (ev): -58.5113 -58.5113 -31.3999 -31.3999 -22.7883 -22.7883 -22.7434 -22.7434 -18.4033 -18.4033 -8.4117 -8.4117 -7.7557 -7.7557 -7.5941 -7.5941 -2.1169 -2.1169 -1.8759 -1.8759 -1.8153 -1.8153 4.9316 4.9316 5.3397 5.3397 5.8671 5.8671 6.3619 6.3619 6.8117 6.8117 7.3173 7.3173 7.5538 7.5538 7.6392 7.6392 8.1360 8.1360 12.3308 12.3308 12.5929 12.5929 13.2445 13.2445 16.3457 16.3457 k = 0.2232 0.2232-0.0000 ( 2316 PWs) bands (ev): -58.5113 -58.5113 -31.3993 -31.3993 -22.7845 -22.7845 -22.7423 -22.7423 -18.4045 -18.4045 -8.4244 -8.4244 -7.7752 -7.7752 -7.6207 -7.6207 -2.1183 -2.1183 -1.8771 -1.8771 -1.8169 -1.8169 5.0029 5.0029 5.4329 5.4329 5.9674 5.9674 6.3788 6.3788 6.8588 6.8588 7.3357 7.3357 7.5682 7.5682 7.6661 7.6661 8.1086 8.1086 12.2527 12.2527 12.5125 12.5125 13.1404 13.1404 16.3164 16.3164 k = 0.2143 0.2143-0.0000 ( 2324 PWs) bands (ev): -58.5114 -58.5114 -31.3988 -31.3988 -22.7807 -22.7807 -22.7412 -22.7412 -18.4058 -18.4058 -8.4374 -8.4374 -7.7938 -7.7938 -7.6466 -7.6466 -2.1198 -2.1198 -1.8783 -1.8783 -1.8189 -1.8189 5.0728 5.0728 5.5248 5.5248 6.0691 6.0691 6.3963 6.3963 6.9067 6.9067 7.3565 7.3565 7.5830 7.5830 7.6942 7.6942 8.0825 8.0825 12.1748 12.1748 12.4316 12.4316 13.0364 13.0364 16.2861 16.2861 k = 0.2054 0.2054-0.0000 ( 2326 PWs) bands (ev): -58.5114 -58.5114 -31.3982 -31.3982 -22.7769 -22.7769 -22.7401 -22.7401 -18.4071 -18.4071 -8.4507 -8.4507 -7.8116 -7.8116 -7.6718 -7.6718 -2.1214 -2.1214 -1.8794 -1.8794 -1.8212 -1.8212 5.1413 5.1413 5.6150 5.6150 6.1712 6.1712 6.4148 6.4148 6.9551 6.9551 7.3797 7.3797 7.5986 7.5986 7.7231 7.7231 8.0577 8.0577 12.0976 12.0976 12.3507 12.3507 12.9328 12.9328 16.2552 16.2552 k = 0.1964 0.1964-0.0000 ( 2326 PWs) bands (ev): -58.5115 -58.5115 -31.3977 -31.3977 -22.7731 -22.7731 -22.7390 -22.7390 -18.4084 -18.4084 -8.4642 -8.4642 -7.8284 -7.8284 -7.6962 -7.6962 -2.1230 -2.1230 -1.8804 -1.8804 -1.8240 -1.8240 5.2080 5.2080 5.7034 5.7034 6.2723 6.2723 6.4357 6.4357 7.0041 7.0041 7.4053 7.4053 7.6153 7.6153 7.7527 7.7527 8.0343 8.0343 12.0212 12.0212 12.2699 12.2699 12.8296 12.8296 16.2237 16.2237 k = 0.1875 0.1875-0.0000 ( 2325 PWs) bands (ev): -58.5115 -58.5115 -31.3972 -31.3972 -22.7695 -22.7695 -22.7380 -22.7380 -18.4096 -18.4096 -8.4780 -8.4780 -7.8442 -7.8442 -7.7198 -7.7198 -2.1248 -2.1248 -1.8814 -1.8814 -1.8270 -1.8270 5.2726 5.2726 5.7894 5.7894 6.3665 6.3665 6.4642 6.4642 7.0535 7.0535 7.4333 7.4333 7.6330 7.6330 7.7828 7.7828 8.0125 8.0125 11.9458 11.9458 12.1893 12.1893 12.7271 12.7271 16.1916 16.1916 k = 0.1786 0.1786-0.0000 ( 2325 PWs) bands (ev): -58.5115 -58.5115 -31.3967 -31.3967 -22.7659 -22.7659 -22.7370 -22.7370 -18.4109 -18.4109 -8.4919 -8.4919 -7.8589 -7.8589 -7.7425 -7.7425 -2.1266 -2.1266 -1.8824 -1.8824 -1.8304 -1.8304 5.3349 5.3349 5.8728 5.8728 6.4322 6.4322 6.5215 6.5215 7.1031 7.1031 7.4636 7.4636 7.6519 7.6519 7.8132 7.8132 7.9925 7.9925 11.8716 11.8716 12.1090 12.1090 12.6256 12.6256 16.1591 16.1591 k = 0.1696 0.1696-0.0000 ( 2317 PWs) bands (ev): -58.5115 -58.5115 -31.3961 -31.3961 -22.7623 -22.7623 -22.7359 -22.7359 -18.4122 -18.4122 -8.5058 -8.5058 -7.8727 -7.8727 -7.7643 -7.7643 -2.1285 -2.1285 -1.8832 -1.8832 -1.8340 -1.8340 5.3946 5.3946 5.9533 5.9533 6.4645 6.4645 6.6120 6.6120 7.1528 7.1528 7.4960 7.4960 7.6720 7.6720 7.8439 7.8439 7.9745 7.9745 11.7987 11.7987 12.0293 12.0293 12.5254 12.5254 16.1262 16.1262 k = 0.1607 0.1607-0.0000 ( 2319 PWs) bands (ev): -58.5116 -58.5116 -31.3956 -31.3956 -22.7589 -22.7589 -22.7349 -22.7349 -18.4134 -18.4134 -8.5197 -8.5197 -7.8854 -7.8854 -7.7853 -7.7853 -2.1305 -2.1305 -1.8841 -1.8841 -1.8379 -1.8379 5.4514 5.4514 6.0303 6.0303 6.4872 6.4872 6.7114 6.7114 7.2024 7.2024 7.5306 7.5306 7.6932 7.6932 7.8746 7.8746 7.9588 7.9588 11.7275 11.7275 11.9504 11.9504 12.4266 12.4266 16.0931 16.0931 k = 0.1518 0.1518-0.0000 ( 2319 PWs) bands (ev): -58.5116 -58.5116 -31.3952 -31.3952 -22.7556 -22.7556 -22.7340 -22.7340 -18.4146 -18.4146 -8.5336 -8.5336 -7.8970 -7.8970 -7.8052 -7.8052 -2.1325 -2.1325 -1.8848 -1.8848 -1.8419 -1.8419 5.5052 5.5052 6.1038 6.1038 6.5075 6.5075 6.8120 6.8120 7.2517 7.2517 7.5670 7.5670 7.7151 7.7151 7.9050 7.9050 7.9459 7.9459 11.6579 11.6579 11.8722 11.8722 12.3297 12.3297 16.0598 16.0598 k = 0.1429 0.1429-0.0000 ( 2323 PWs) bands (ev): -58.5116 -58.5116 -31.3947 -31.3947 -22.7525 -22.7525 -22.7331 -22.7331 -18.4158 -18.4158 -8.5473 -8.5473 -7.9077 -7.9077 -7.8242 -7.8242 -2.1346 -2.1346 -1.8855 -1.8855 -1.8461 -1.8461 5.5557 5.5557 6.1733 6.1733 6.5269 6.5269 6.9114 6.9114 7.3005 7.3005 7.6053 7.6053 7.7371 7.7371 7.9307 7.9307 7.9409 7.9409 11.5903 11.5903 11.7951 11.7951 12.2351 12.2351 16.0264 16.0264 k = 0.1339 0.1339-0.0000 ( 2319 PWs) bands (ev): -58.5117 -58.5117 -31.3943 -31.3943 -22.7494 -22.7494 -22.7322 -22.7322 -18.4170 -18.4170 -8.5607 -8.5607 -7.9174 -7.9174 -7.8422 -7.8422 -2.1367 -2.1367 -1.8861 -1.8861 -1.8503 -1.8503 5.6029 5.6029 6.2386 6.2386 6.5458 6.5458 7.0086 7.0086 7.3486 7.3486 7.6451 7.6451 7.7583 7.7583 7.9291 7.9291 7.9673 7.9673 11.5249 11.5249 11.7192 11.7192 12.1430 12.1430 15.9928 15.9928 k = 0.1250 0.1250-0.0000 ( 2321 PWs) bands (ev): -58.5117 -58.5117 -31.3939 -31.3939 -22.7465 -22.7465 -22.7314 -22.7314 -18.4181 -18.4181 -8.5737 -8.5737 -7.9262 -7.9262 -7.8591 -7.8591 -2.1388 -2.1388 -1.8867 -1.8867 -1.8545 -1.8545 5.6465 5.6465 6.2997 6.2997 6.5641 6.5641 7.1028 7.1028 7.3957 7.3957 7.6861 7.6861 7.7769 7.7769 7.9298 7.9298 7.9969 7.9969 11.4619 11.4619 11.6446 11.6446 12.0541 12.0541 15.9590 15.9590 k = 0.1161 0.1161-0.0000 ( 2313 PWs) bands (ev): -58.5117 -58.5117 -31.3935 -31.3935 -22.7437 -22.7437 -22.7306 -22.7306 -18.4191 -18.4191 -8.5863 -8.5863 -7.9341 -7.9341 -7.8750 -7.8750 -2.1409 -2.1409 -1.8872 -1.8872 -1.8587 -1.8587 5.6865 5.6865 6.3564 6.3564 6.5820 6.5820 7.1931 7.1931 7.4416 7.4416 7.7279 7.7279 7.7914 7.7914 7.9379 7.9379 8.0261 8.0261 11.4015 11.4015 11.5716 11.5716 11.9688 11.9688 15.9249 15.9249 k = 0.1071 0.1071-0.0000 ( 2317 PWs) bands (ev): -58.5117 -58.5117 -31.3931 -31.3931 -22.7411 -22.7411 -22.7298 -22.7298 -18.4202 -18.4202 -8.5984 -8.5984 -7.9412 -7.9412 -7.8898 -7.8898 -2.1430 -2.1430 -1.8877 -1.8877 -1.8627 -1.8627 5.7230 5.7230 6.4086 6.4086 6.5991 6.5991 7.2788 7.2788 7.4860 7.4860 7.7687 7.7687 7.8020 7.8020 7.9542 7.9542 8.0548 8.0548 11.3438 11.3438 11.5003 11.5003 11.8876 11.8876 15.8903 15.8903 k = 0.0982 0.0982-0.0000 ( 2323 PWs) bands (ev): -58.5118 -58.5118 -31.3928 -31.3928 -22.7387 -22.7387 -22.7291 -22.7291 -18.4211 -18.4211 -8.6098 -8.6098 -7.9475 -7.9475 -7.9035 -7.9035 -2.1450 -2.1450 -1.8882 -1.8882 -1.8667 -1.8667 5.7558 5.7558 6.4563 6.4563 6.6153 6.6153 7.3592 7.3592 7.5287 7.5287 7.7954 7.7954 7.8222 7.8222 7.9778 7.9778 8.0827 8.0827 11.2893 11.2893 11.4310 11.4310 11.8110 11.8110 15.8548 15.8548 k = 0.0893 0.0893-0.0000 ( 2319 PWs) bands (ev): -58.5118 -58.5118 -31.3924 -31.3924 -22.7364 -22.7364 -22.7285 -22.7285 -18.4220 -18.4220 -8.6205 -8.6205 -7.9530 -7.9530 -7.9160 -7.9160 -2.1470 -2.1470 -1.8885 -1.8885 -1.8704 -1.8704 5.7852 5.7852 6.4997 6.4997 6.6304 6.6304 7.4335 7.4335 7.5692 7.5692 7.7998 7.7998 7.8611 7.8611 8.0067 8.0067 8.1096 8.1096 11.2381 11.2381 11.3641 11.3641 11.7397 11.7397 15.8182 15.8182 k = 0.0804 0.0804-0.0000 ( 2319 PWs) bands (ev): -58.5118 -58.5118 -31.3922 -31.3922 -22.7344 -22.7344 -22.7279 -22.7279 -18.4228 -18.4228 -8.6305 -8.6305 -7.9579 -7.9579 -7.9274 -7.9274 -2.1488 -2.1488 -1.8889 -1.8889 -1.8739 -1.8739 5.8112 5.8112 6.5388 6.5388 6.6443 6.6443 7.5011 7.5011 7.6073 7.6073 7.7994 7.7994 7.9016 7.9016 8.0393 8.0393 8.1353 8.1353 11.1905 11.1905 11.3000 11.3000 11.6740 11.6740 15.7806 15.7806 k = 0.0714 0.0714-0.0000 ( 2323 PWs) bands (ev): -58.5118 -58.5118 -31.3919 -31.3919 -22.7325 -22.7325 -22.7274 -22.7274 -18.4236 -18.4236 -8.6395 -8.6395 -7.9621 -7.9621 -7.9377 -7.9377 -2.1506 -2.1506 -1.8892 -1.8892 -1.8772 -1.8772 5.8339 5.8339 6.5736 6.5736 6.6569 6.6569 7.5617 7.5617 7.6426 7.6426 7.7978 7.7978 7.9404 7.9404 8.0739 8.0739 8.1598 8.1598 11.1468 11.1468 11.2393 11.2393 11.6143 11.6143 15.7425 15.7425 k = 0.0625 0.0625-0.0000 ( 2325 PWs) bands (ev): -58.5118 -58.5118 -31.3917 -31.3917 -22.7309 -22.7309 -22.7269 -22.7269 -18.4242 -18.4242 -8.6477 -8.6477 -7.9657 -7.9657 -7.9468 -7.9468 -2.1522 -2.1522 -1.8894 -1.8894 -1.8801 -1.8801 5.8535 5.8535 6.6042 6.6042 6.6681 6.6681 7.6149 7.6149 7.6749 7.6749 7.7958 7.7958 7.9760 7.9760 8.1095 8.1095 8.1826 8.1826 11.1073 11.1073 11.1826 11.1826 11.5612 11.5612 15.7049 15.7049 k = 0.0536 0.0536-0.0000 ( 2329 PWs) bands (ev): -58.5119 -58.5119 -31.3915 -31.3915 -22.7295 -22.7295 -22.7265 -22.7265 -18.4248 -18.4248 -8.6549 -8.6549 -7.9687 -7.9687 -7.9547 -7.9547 -2.1537 -2.1537 -1.8896 -1.8896 -1.8827 -1.8827 5.8702 5.8702 6.6308 6.6308 6.6778 6.6778 7.6606 7.6606 7.7037 7.7037 7.7939 7.7939 8.0075 8.0075 8.1448 8.1448 8.2035 8.2035 11.0723 11.0723 11.1307 11.1307 11.5147 11.5147 15.6693 15.6693 k = 0.0446 0.0446-0.0000 ( 2331 PWs) bands (ev): -58.5119 -58.5119 -31.3913 -31.3913 -22.7282 -22.7282 -22.7262 -22.7262 -18.4254 -18.4254 -8.6610 -8.6610 -7.9712 -7.9712 -7.9614 -7.9614 -2.1549 -2.1549 -1.8898 -1.8898 -1.8850 -1.8850 5.8840 5.8840 6.6532 6.6532 6.6859 6.6859 7.6988 7.6988 7.7287 7.7287 7.7922 7.7922 8.0346 8.0346 8.1783 8.1783 8.2221 8.2221 11.0421 11.0421 11.0847 11.0847 11.4752 11.4752 15.6371 15.6371 k = 0.0357 0.0357-0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3912 -31.3912 -22.7272 -22.7272 -22.7259 -22.7259 -18.4258 -18.4258 -8.6661 -8.6661 -7.9733 -7.9733 -7.9669 -7.9669 -2.1560 -2.1560 -1.8899 -1.8899 -1.8868 -1.8868 5.8951 5.8951 6.6716 6.6716 6.6926 6.6926 7.7296 7.7296 7.7496 7.7496 7.7911 7.7911 8.0568 8.0568 8.2084 8.2084 8.2382 8.2382 11.0169 11.0169 11.0453 11.0453 11.4427 11.4427 15.6093 15.6093 k = 0.0268 0.0268-0.0000 ( 2321 PWs) bands (ev): -58.5119 -58.5119 -31.3910 -31.3910 -22.7263 -22.7263 -22.7256 -22.7256 -18.4261 -18.4261 -8.6701 -8.6701 -7.9748 -7.9748 -7.9712 -7.9712 -2.1568 -2.1568 -1.8900 -1.8900 -1.8883 -1.8883 5.9036 5.9036 6.6859 6.6859 6.6977 6.6977 7.7529 7.7529 7.7658 7.7658 7.7909 7.7909 8.0740 8.0740 8.2337 8.2337 8.2512 8.2512 10.9971 10.9971 11.0136 11.0136 11.4174 11.4174 15.5868 15.5868 k = 0.0179 0.0179-0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3910 -31.3910 -22.7258 -22.7258 -22.7255 -22.7255 -18.4263 -18.4263 -8.6730 -8.6730 -7.9759 -7.9759 -7.9743 -7.9743 -2.1575 -2.1575 -1.8901 -1.8901 -1.8893 -1.8893 5.9097 5.9097 6.6961 6.6961 6.7014 6.7014 7.7691 7.7691 7.7762 7.7762 7.7926 7.7926 8.0863 8.0863 8.2527 8.2527 8.2607 8.2607 10.9828 10.9828 10.9903 10.9903 11.3993 11.3993 15.5704 15.5704 k = 0.0089 0.0089-0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3909 -31.3909 -22.7254 -22.7254 -22.7254 -22.7254 -18.4265 -18.4265 -8.6747 -8.6747 -7.9765 -7.9765 -7.9761 -7.9761 -2.1578 -2.1578 -1.8902 -1.8902 -1.8900 -1.8900 5.9132 5.9132 6.7022 6.7022 6.7035 6.7035 7.7784 7.7784 7.7805 7.7805 7.7959 7.7959 8.0936 8.0936 8.2645 8.2645 8.2666 8.2666 10.9741 10.9741 10.9760 10.9760 11.3884 11.3884 15.5604 15.5604 k = 0.0000 0.0000 0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3909 -31.3909 -22.7253 -22.7253 -22.7253 -22.7253 -18.4265 -18.4265 -8.6753 -8.6753 -7.9768 -7.9768 -7.9768 -7.9768 -2.1580 -2.1580 -1.8902 -1.8902 -1.8902 -1.8902 5.9144 5.9144 6.7043 6.7043 6.7043 6.7043 7.7814 7.7814 7.7814 7.7814 7.7976 7.7976 8.0961 8.0961 8.2686 8.2686 8.2686 8.2686 10.9712 10.9712 10.9712 10.9712 11.3847 11.3847 15.5570 15.5570 k = 0.0000 0.0000 0.0000 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3909 -31.3909 -22.7253 -22.7253 -22.7253 -22.7253 -18.4265 -18.4265 -8.6753 -8.6753 -7.9768 -7.9768 -7.9768 -7.9768 -2.1580 -2.1580 -1.8902 -1.8902 -1.8902 -1.8902 5.9144 5.9144 6.7043 6.7043 6.7043 6.7043 7.7814 7.7814 7.7814 7.7814 7.7976 7.7976 8.0961 8.0961 8.2686 8.2686 8.2686 8.2686 10.9712 10.9712 10.9712 10.9712 11.3847 11.3847 15.5570 15.5570 k = 0.0072 0.0072 0.0072 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3909 -31.3909 -22.7254 -22.7254 -22.7254 -22.7254 -18.4265 -18.4265 -8.6747 -8.6747 -7.9764 -7.9764 -7.9763 -7.9763 -2.1578 -2.1578 -1.8902 -1.8902 -1.8900 -1.8900 5.9133 5.9133 6.7024 6.7024 6.7033 6.7033 7.7783 7.7783 7.7806 7.7806 7.7959 7.7959 8.0937 8.0937 8.2651 8.2651 8.2661 8.2661 10.9747 10.9747 10.9753 10.9753 11.3883 11.3883 15.5604 15.5604 k = 0.0145 0.0145 0.0145 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3910 -31.3910 -22.7256 -22.7256 -22.7256 -22.7256 -18.4263 -18.4263 -8.6730 -8.6730 -7.9754 -7.9754 -7.9748 -7.9748 -2.1575 -2.1575 -1.8902 -1.8902 -1.8893 -1.8893 5.9097 5.9097 6.6970 6.6970 6.7005 6.7005 7.7691 7.7691 7.7758 7.7758 7.7933 7.7933 8.0864 8.0864 8.2548 8.2548 8.2588 8.2588 10.9851 10.9851 10.9877 10.9877 11.3990 11.3990 15.5703 15.5703 k = 0.0217 0.0217 0.0217 ( 2322 PWs) bands (ev): -58.5119 -58.5119 -31.3910 -31.3910 -22.7260 -22.7260 -22.7260 -22.7260 -18.4261 -18.4261 -8.6702 -8.6702 -7.9737 -7.9737 -7.9724 -7.9724 -2.1569 -2.1569 -1.8901 -1.8901 -1.8882 -1.8882 5.9038 5.9038 6.6880 6.6880 6.6958 6.6958 7.7537 7.7537 7.7633 7.7633 7.7934 7.7934 8.0744 8.0744 8.2380 8.2380 8.2470 8.2470 11.0022 11.0022 11.0080 11.0080 11.4167 11.4167 15.5869 15.5869 k = 0.0290 0.0290 0.0290 ( 2319 PWs) bands (ev): -58.5119 -58.5119 -31.3911 -31.3911 -22.7265 -22.7265 -22.7264 -22.7264 -18.4258 -18.4258 -8.6662 -8.6662 -7.9714 -7.9714 -7.9690 -7.9690 -2.1560 -2.1560 -1.8901 -1.8901 -1.8867 -1.8867 5.8956 5.8956 6.6754 6.6754 6.6892 6.6892 7.7323 7.7323 7.7434 7.7434 7.7960 7.7960 8.0575 8.0575 8.2155 8.2155 8.2310 8.2310 11.0258 11.0258 11.0360 11.0360 11.4412 11.4412 15.6099 15.6099 k = 0.0362 0.0362 0.0362 ( 2325 PWs) bands (ev): -58.5119 -58.5119 -31.3913 -31.3913 -22.7272 -22.7272 -22.7271 -22.7271 -18.4254 -18.4254 -8.6610 -8.6610 -7.9684 -7.9684 -7.9647 -7.9647 -2.1550 -2.1550 -1.8901 -1.8901 -1.8847 -1.8847 5.8849 5.8849 6.6592 6.6592 6.6804 6.6804 7.7050 7.7050 7.7172 7.7172 7.8001 7.8001 8.0355 8.0355 8.1881 8.1881 8.2113 8.2113 11.0557 11.0557 11.0712 11.0712 11.4722 11.4722 15.6392 15.6392 k = 0.0435 0.0435 0.0435 ( 2325 PWs) bands (ev): -58.5118 -58.5118 -31.3915 -31.3915 -22.7280 -22.7280 -22.7279 -22.7279 -18.4249 -18.4249 -8.6547 -8.6547 -7.9647 -7.9647 -7.9594 -7.9594 -2.1538 -2.1538 -1.8901 -1.8901 -1.8823 -1.8823 5.8718 5.8718 6.6396 6.6396 6.6695 6.6695 7.6722 7.6722 7.6852 7.6852 7.8054 7.8054 8.0080 8.0080 8.1574 8.1574 8.1886 8.1886 11.0913 11.0913 11.1131 11.1131 11.5093 11.5093 15.6746 15.6746 k = 0.0507 0.0507 0.0507 ( 2322 PWs) bands (ev): -58.5118 -58.5118 -31.3917 -31.3917 -22.7290 -22.7290 -22.7288 -22.7288 -18.4243 -18.4243 -8.6473 -8.6473 -7.9604 -7.9604 -7.9531 -7.9531 -2.1523 -2.1523 -1.8901 -1.8901 -1.8795 -1.8795 5.8562 5.8562 6.6165 6.6165 6.6563 6.6563 7.6340 7.6340 7.6476 7.6476 7.8117 7.8117 7.9742 7.9742 8.1251 8.1251 8.1635 8.1635 11.1324 11.1324 11.1611 11.1611 11.5522 11.5522 15.7160 15.7160 k = 0.0580 0.0580 0.0580 ( 2328 PWs) bands (ev): -58.5118 -58.5118 -31.3919 -31.3919 -22.7301 -22.7301 -22.7299 -22.7299 -18.4236 -18.4236 -8.6387 -8.6387 -7.9554 -7.9554 -7.9459 -7.9459 -2.1508 -2.1508 -1.8902 -1.8902 -1.8764 -1.8764 5.8382 5.8382 6.5901 6.5901 6.6405 6.6405 7.5907 7.5907 7.6048 7.6048 7.8190 7.8190 7.9333 7.9333 8.0928 8.0928 8.1367 8.1367 11.1784 11.1784 11.2147 11.2147 11.6004 11.6004 15.7630 15.7630 k = 0.0652 0.0652 0.0652 ( 2334 PWs) bands (ev): -58.5118 -58.5118 -31.3922 -31.3922 -22.7313 -22.7313 -22.7310 -22.7310 -18.4229 -18.4229 -8.6289 -8.6289 -7.9497 -7.9497 -7.9378 -7.9378 -2.1492 -2.1492 -1.8903 -1.8903 -1.8728 -1.8728 5.8176 5.8176 6.5603 6.5603 6.6222 6.6222 7.5426 7.5426 7.5572 7.5572 7.8273 7.8273 7.8849 7.8849 8.0621 8.0621 8.1090 8.1090 11.2289 11.2289 11.2733 11.2733 11.6536 11.6536 15.8155 15.8155 k = 0.0725 0.0725 0.0725 ( 2325 PWs) bands (ev): -58.5118 -58.5118 -31.3925 -31.3925 -22.7326 -22.7326 -22.7323 -22.7323 -18.4221 -18.4221 -8.6181 -8.6181 -7.9434 -7.9434 -7.9288 -7.9288 -2.1475 -2.1475 -1.8904 -1.8904 -1.8689 -1.8689 5.7946 5.7946 6.5274 6.5274 6.6010 6.6010 7.4902 7.4902 7.5052 7.5052 7.8275 7.8275 7.8383 7.8383 8.0336 8.0336 8.0809 8.0809 11.2837 11.2837 11.3364 11.3364 11.7113 11.7113 15.8730 15.8730 k = 0.0797 0.0797 0.0797 ( 2331 PWs) bands (ev): -58.5118 -58.5118 -31.3928 -31.3928 -22.7342 -22.7342 -22.7337 -22.7337 -18.4212 -18.4212 -8.6060 -8.6060 -7.9365 -7.9365 -7.9188 -7.9188 -2.1457 -2.1457 -1.8907 -1.8907 -1.8647 -1.8647 5.7691 5.7691 6.4913 6.4913 6.5769 6.5769 7.4337 7.4337 7.4492 7.4492 7.7665 7.7665 7.8473 7.8473 8.0073 8.0073 8.0531 8.0531 11.3422 11.3422 11.4034 11.4034 11.7732 11.7732 15.9352 15.9352 k = 0.0870 0.0870 0.0870 ( 2325 PWs) bands (ev): -58.5117 -58.5117 -31.3931 -31.3931 -22.7358 -22.7358 -22.7352 -22.7352 -18.4202 -18.4202 -8.5928 -8.5928 -7.9289 -7.9289 -7.9079 -7.9079 -2.1439 -2.1439 -1.8909 -1.8909 -1.8601 -1.8601 5.7411 5.7411 6.4523 6.4523 6.5497 6.5497 7.3736 7.3736 7.3897 7.3897 7.6987 7.6987 7.8583 7.8583 7.9832 7.9832 8.0261 8.0261 11.4042 11.4042 11.4739 11.4739 11.8387 11.8387 16.0019 16.0019 k = 0.0942 0.0942 0.0942 ( 2331 PWs) bands (ev): -58.5117 -58.5117 -31.3935 -31.3935 -22.7375 -22.7375 -22.7369 -22.7369 -18.4192 -18.4192 -8.5785 -8.5785 -7.9206 -7.9206 -7.8962 -7.8962 -2.1422 -2.1422 -1.8914 -1.8914 -1.8553 -1.8553 5.7105 5.7105 6.4104 6.4104 6.5192 6.5192 7.3102 7.3102 7.3272 7.3272 7.6259 7.6259 7.8704 7.8704 7.9613 7.9613 8.0005 8.0005 11.4694 11.4694 11.5474 11.5474 11.9077 11.9077 16.0727 16.0727 k = 0.1014 0.1014 0.1014 ( 2337 PWs) bands (ev): -58.5117 -58.5117 -31.3939 -31.3939 -22.7394 -22.7394 -22.7387 -22.7387 -18.4182 -18.4182 -8.5631 -8.5631 -7.9117 -7.9117 -7.8836 -7.8836 -2.1406 -2.1406 -1.8919 -1.8919 -1.8503 -1.8503 5.6776 5.6776 6.3657 6.3657 6.4853 6.4853 7.2440 7.2440 7.2620 7.2620 7.5491 7.5491 7.8833 7.8833 7.9414 7.9414 7.9767 7.9767 11.5373 11.5373 11.6236 11.6236 11.9796 11.9796 16.1471 16.1471 k = 0.1087 0.1087 0.1087 ( 2331 PWs) bands (ev): -58.5117 -58.5117 -31.3943 -31.3943 -22.7413 -22.7413 -22.7406 -22.7406 -18.4170 -18.4170 -8.5465 -8.5465 -7.9022 -7.9022 -7.8701 -7.8701 -2.1390 -2.1390 -1.8925 -1.8925 -1.8451 -1.8451 5.6423 5.6423 6.3184 6.3184 6.4481 6.4481 7.1754 7.1754 7.1947 7.1947 7.4688 7.4688 7.8970 7.8970 7.9236 7.9236 7.9550 7.9550 11.6080 11.6080 11.7020 11.7020 12.0543 12.0543 16.2249 16.2249 k = 0.1159 0.1159 0.1159 ( 2325 PWs) bands (ev): -58.5116 -58.5116 -31.3948 -31.3948 -22.7434 -22.7434 -22.7425 -22.7425 -18.4159 -18.4159 -8.5288 -8.5288 -7.8921 -7.8921 -7.8558 -7.8558 -2.1376 -2.1376 -1.8933 -1.8933 -1.8397 -1.8397 5.6048 5.6048 6.2687 6.2687 6.4074 6.4074 7.1047 7.1047 7.1256 7.1256 7.3855 7.3855 7.9063 7.9063 7.9132 7.9132 7.9358 7.9358 11.6811 11.6811 11.7824 11.7824 12.1313 12.1313 16.3056 16.3056 k = 0.1232 0.1232 0.1232 ( 2331 PWs) bands (ev): -58.5116 -58.5116 -31.3953 -31.3953 -22.7456 -22.7456 -22.7447 -22.7447 -18.4147 -18.4147 -8.5101 -8.5101 -7.8813 -7.8813 -7.8407 -7.8407 -2.1364 -2.1364 -1.8943 -1.8943 -1.8343 -1.8343 5.5651 5.5651 6.2166 6.2166 6.3633 6.3633 7.0323 7.0323 7.0551 7.0551 7.2996 7.2996 7.8937 7.8937 7.9193 7.9193 7.9277 7.9277 11.7564 11.7564 11.8644 11.8644 12.2105 12.2105 16.3889 16.3889 k = 0.1304 0.1304 0.1304 ( 2319 PWs) bands (ev): -58.5116 -58.5116 -31.3957 -31.3957 -22.7478 -22.7478 -22.7468 -22.7468 -18.4134 -18.4134 -8.4902 -8.4902 -7.8699 -7.8699 -7.8247 -7.8247 -2.1353 -2.1353 -1.8954 -1.8954 -1.8288 -1.8288 5.5234 5.5234 6.1624 6.1624 6.3158 6.3158 6.9587 6.9587 6.9835 6.9835 7.2117 7.2117 7.8824 7.8824 7.9055 7.9055 7.9439 7.9439 11.8337 11.8337 11.9479 11.9479 12.2916 12.2916 16.4743 16.4743 k = 0.1377 0.1377 0.1377 ( 2319 PWs) bands (ev): -58.5115 -58.5115 -31.3962 -31.3962 -22.7502 -22.7502 -22.7491 -22.7491 -18.4122 -18.4122 -8.4692 -8.4692 -7.8579 -7.8579 -7.8080 -7.8080 -2.1345 -2.1345 -1.8968 -1.8968 -1.8233 -1.8233 5.4798 5.4798 6.1062 6.1062 6.2651 6.2651 6.8841 6.8841 6.9111 6.9111 7.1220 7.1220 7.8733 7.8733 7.8946 7.8946 7.9609 7.9609 11.9128 11.9128 12.0326 12.0326 12.3743 12.3743 16.5614 16.5614 k = 0.1449 0.1449 0.1449 ( 2319 PWs) bands (ev): -58.5115 -58.5115 -31.3968 -31.3968 -22.7526 -22.7526 -22.7515 -22.7515 -18.4109 -18.4109 -8.4472 -8.4472 -7.8453 -7.8453 -7.7906 -7.7906 -2.1340 -2.1340 -1.8984 -1.8984 -1.8180 -1.8180 5.4345 5.4345 6.0481 6.0481 6.2111 6.2111 6.8089 6.8089 6.8382 6.8382 7.0308 7.0308 7.8665 7.8665 7.8867 7.8867 7.9787 7.9787 11.9936 11.9936 12.1183 12.1183 12.4584 12.4584 16.6498 16.6498 k = 0.1522 0.1522 0.1522 ( 2319 PWs) bands (ev): -58.5115 -58.5115 -31.3973 -31.3973 -22.7551 -22.7551 -22.7539 -22.7539 -18.4096 -18.4096 -8.4241 -8.4241 -7.8321 -7.8321 -7.7724 -7.7724 -2.1338 -2.1338 -1.9002 -1.9002 -1.8128 -1.8128 5.3876 5.3876 5.9885 5.9885 6.1541 6.1541 6.7336 6.7336 6.7651 6.7651 6.9385 6.9385 7.8621 7.8621 7.8816 7.8816 7.9972 7.9972 12.0759 12.0759 12.2048 12.2048 12.5438 12.5438 16.7392 16.7392 k = 0.1594 0.1594 0.1594 ( 2316 PWs) bands (ev): -58.5114 -58.5114 -31.3979 -31.3979 -22.7577 -22.7577 -22.7565 -22.7565 -18.4082 -18.4082 -8.4000 -8.4000 -7.8183 -7.8183 -7.7535 -7.7535 -2.1339 -2.1339 -1.9022 -1.9022 -1.8079 -1.8079 5.3394 5.3394 5.9274 5.9274 6.0942 6.0942 6.6583 6.6583 6.6919 6.6919 6.8454 6.8454 7.8601 7.8601 7.8793 7.8793 8.0164 8.0164 12.1595 12.1595 12.2920 12.2920 12.6303 12.6303 16.8290 16.8290 k = 0.1667 0.1667 0.1667 ( 2298 PWs) bands (ev): -58.5113 -58.5113 -31.3984 -31.3984 -22.7603 -22.7603 -22.7590 -22.7590 -18.4069 -18.4069 -8.3750 -8.3750 -7.8039 -7.8039 -7.7339 -7.7339 -2.1343 -2.1343 -1.9045 -1.9045 -1.8032 -1.8032 5.2900 5.2900 5.8650 5.8650 6.0316 6.0316 6.5836 6.5836 6.6189 6.6189 6.7519 6.7519 7.8604 7.8604 7.8799 7.8799 8.0363 8.0363 12.2444 12.2444 12.3797 12.3797 12.7177 12.7177 16.9190 16.9190 k = 0.1739 0.1739 0.1739 ( 2316 PWs) bands (ev): -58.5113 -58.5113 -31.3991 -31.3991 -22.7631 -22.7631 -22.7617 -22.7617 -18.4055 -18.4055 -8.3490 -8.3490 -7.7889 -7.7889 -7.7136 -7.7136 -2.1352 -2.1352 -1.9071 -1.9071 -1.7990 -1.7990 5.2395 5.2395 5.8015 5.8015 5.9664 5.9664 6.5096 6.5096 6.5459 6.5459 6.6585 6.6585 7.8629 7.8629 7.8830 7.8830 8.0567 8.0567 12.3302 12.3302 12.4678 12.4678 12.8058 12.8058 17.0086 17.0086 k = 0.1812 0.1812 0.1812 ( 2319 PWs) bands (ev): -58.5113 -58.5113 -31.3997 -31.3997 -22.7658 -22.7658 -22.7645 -22.7645 -18.4042 -18.4042 -8.3220 -8.3220 -7.7734 -7.7734 -7.6928 -7.6928 -2.1363 -2.1363 -1.9101 -1.9101 -1.7952 -1.7952 5.1882 5.1882 5.7370 5.7370 5.8987 5.8987 6.4366 6.4366 6.4730 6.4730 6.5656 6.5656 7.8678 7.8678 7.8886 7.8886 8.0778 8.0778 12.4170 12.4170 12.5562 12.5562 12.8946 12.8946 17.0975 17.0975 k = 0.1884 0.1884 0.1884 ( 2319 PWs) bands (ev): -58.5113 -58.5113 -31.4003 -31.4003 -22.7687 -22.7687 -22.7673 -22.7673 -18.4029 -18.4029 -8.2942 -8.2942 -7.7572 -7.7572 -7.6713 -7.6713 -2.1379 -2.1379 -1.9132 -1.9132 -1.7920 -1.7920 5.1363 5.1363 5.6718 5.6718 5.8288 5.8288 6.3649 6.3649 6.3994 6.3994 6.4743 6.4743 7.8750 7.8750 7.8967 7.8967 8.0993 8.0993 12.5045 12.5045 12.6448 12.6448 12.9839 12.9839 17.1853 17.1853 k = 0.1957 0.1957 0.1957 ( 2319 PWs) bands (ev): -58.5112 -58.5112 -31.4010 -31.4010 -22.7715 -22.7715 -22.7701 -22.7701 -18.4015 -18.4015 -8.2656 -8.2656 -7.7405 -7.7405 -7.6493 -7.6493 -2.1399 -2.1399 -1.9168 -1.9168 -1.7893 -1.7893 5.0838 5.0838 5.6060 5.6060 5.7568 5.7568 6.2948 6.2948 6.3239 6.3239 6.3864 6.3864 7.8843 7.8843 7.9071 7.9071 8.1214 8.1214 12.5925 12.5925 12.7334 12.7334 13.0735 13.0735 17.2717 17.2717 k = 0.2029 0.2029 0.2029 ( 2325 PWs) bands (ev): -58.5112 -58.5112 -31.4016 -31.4016 -22.7745 -22.7745 -22.7730 -22.7730 -18.4002 -18.4002 -8.2362 -8.2362 -7.7233 -7.7233 -7.6268 -7.6268 -2.1423 -2.1423 -1.9206 -1.9206 -1.7874 -1.7874 5.0311 5.0311 5.5396 5.5396 5.6831 5.6831 6.2263 6.2263 6.2443 6.2443 6.3044 6.3044 7.8957 7.8957 7.9196 7.9196 8.1440 8.1440 12.6811 12.6811 12.8221 12.8221 13.1635 13.1635 17.3561 17.3561 k = 0.2101 0.2101 0.2101 ( 2322 PWs) bands (ev): -58.5112 -58.5112 -31.4023 -31.4023 -22.7774 -22.7774 -22.7759 -22.7759 -18.3989 -18.3989 -8.2060 -8.2060 -7.7055 -7.7055 -7.6038 -7.6038 -2.1451 -2.1451 -1.9247 -1.9247 -1.7862 -1.7862 4.9781 4.9781 5.4730 5.4730 5.6077 5.6077 6.1597 6.1597 6.1600 6.1600 6.2293 6.2293 7.9091 7.9091 7.9342 7.9342 8.1670 8.1670 12.7699 12.7699 12.9107 12.9107 13.2535 13.2535 17.4385 17.4385 k = 0.2174 0.2174 0.2174 ( 2322 PWs) bands (ev): -58.5111 -58.5111 -31.4029 -31.4029 -22.7803 -22.7803 -22.7788 -22.7788 -18.3975 -18.3975 -8.1752 -8.1752 -7.6871 -7.6871 -7.5803 -7.5803 -2.1483 -2.1483 -1.9292 -1.9292 -1.7858 -1.7858 4.9250 4.9250 5.4061 5.4061 5.5311 5.5311 6.0728 6.0728 6.0950 6.0950 6.1598 6.1598 7.9245 7.9245 7.9507 7.9507 8.1903 8.1903 12.8589 12.8589 12.9991 12.9991 13.3437 13.3437 17.5183 17.5183 k = 0.2246 0.2246 0.2246 ( 2313 PWs) bands (ev): -58.5111 -58.5111 -31.4036 -31.4036 -22.7832 -22.7832 -22.7818 -22.7818 -18.3962 -18.3962 -8.1439 -8.1439 -7.6681 -7.6681 -7.5564 -7.5564 -2.1519 -2.1519 -1.9340 -1.9340 -1.7862 -1.7862 4.8718 4.8718 5.3391 5.3391 5.4533 5.4533 5.9849 5.9849 6.0322 6.0322 6.0941 6.0941 7.9418 7.9418 7.9690 7.9690 8.2140 8.2140 12.9480 12.9480 13.0873 13.0873 13.4338 13.4338 17.5953 17.5953 k = 0.2319 0.2319 0.2319 ( 2313 PWs) bands (ev): -58.5110 -58.5110 -31.4043 -31.4043 -22.7862 -22.7862 -22.7848 -22.7848 -18.3949 -18.3949 -8.1120 -8.1120 -7.6486 -7.6486 -7.5322 -7.5322 -2.1560 -2.1560 -1.9391 -1.9391 -1.7876 -1.7876 4.8188 4.8188 5.2721 5.2721 5.3748 5.3748 5.8976 5.8976 5.9714 5.9714 6.0311 6.0311 7.9608 7.9608 7.9890 7.9890 8.2380 8.2380 13.0369 13.0369 13.1752 13.1752 13.5237 13.5237 17.6694 17.6694 k = 0.2391 0.2391 0.2391 ( 2307 PWs) bands (ev): -58.5109 -58.5109 -31.4049 -31.4049 -22.7892 -22.7892 -22.7878 -22.7878 -18.3936 -18.3936 -8.0797 -8.0797 -7.6285 -7.6285 -7.5076 -7.5076 -2.1605 -2.1605 -1.9446 -1.9446 -1.7900 -1.7900 4.7658 4.7658 5.2050 5.2050 5.2956 5.2956 5.8119 5.8119 5.9127 5.9127 5.9706 5.9706 7.9815 7.9815 8.0105 8.0105 8.2622 8.2622 13.1256 13.1256 13.2626 13.2626 13.6133 13.6133 17.7403 17.7403 k = 0.2464 0.2464 0.2464 ( 2313 PWs) bands (ev): -58.5109 -58.5109 -31.4056 -31.4056 -22.7922 -22.7922 -22.7908 -22.7908 -18.3924 -18.3924 -8.0472 -8.0472 -7.6078 -7.6078 -7.4828 -7.4828 -2.1654 -2.1654 -1.9504 -1.9504 -1.7934 -1.7934 4.7129 4.7129 5.1380 5.1380 5.2161 5.2161 5.7283 5.7283 5.8559 5.8559 5.9122 5.9122 8.0039 8.0039 8.0336 8.0336 8.2867 8.2867 13.2139 13.2139 13.3496 13.3496 13.7026 13.7026 17.8077 17.8077 k = 0.2536 0.2536 0.2536 ( 2313 PWs) bands (ev): -58.5109 -58.5109 -31.4063 -31.4063 -22.7951 -22.7951 -22.7938 -22.7938 -18.3912 -18.3912 -8.0143 -8.0143 -7.5865 -7.5865 -7.4577 -7.4577 -2.1707 -2.1707 -1.9564 -1.9564 -1.7978 -1.7978 4.6602 4.6602 5.0709 5.0709 5.1366 5.1366 5.6476 5.6476 5.8012 5.8012 5.8558 5.8558 8.0277 8.0277 8.0580 8.0580 8.3113 8.3113 13.3017 13.3017 13.4359 13.4359 13.7913 13.7913 17.8716 17.8716 k = 0.2609 0.2609 0.2609 ( 2308 PWs) bands (ev): -58.5108 -58.5108 -31.4069 -31.4069 -22.7981 -22.7981 -22.7968 -22.7968 -18.3900 -18.3900 -7.9814 -7.9814 -7.5646 -7.5646 -7.4324 -7.4324 -2.1764 -2.1764 -1.9628 -1.9628 -1.8033 -1.8033 4.6076 4.6076 5.0037 5.0037 5.0572 5.0572 5.5701 5.5701 5.7484 5.7484 5.8015 5.8015 8.0529 8.0529 8.0837 8.0837 8.3360 8.3360 13.3889 13.3889 13.5217 13.5217 13.8795 13.8795 17.9319 17.9319 k = 0.2681 0.2681 0.2681 ( 2317 PWs) bands (ev): -58.5108 -58.5108 -31.4077 -31.4077 -22.8011 -22.8011 -22.7998 -22.7998 -18.3888 -18.3888 -7.9485 -7.9485 -7.5422 -7.5422 -7.4070 -7.4070 -2.1825 -2.1825 -1.9695 -1.9695 -1.8098 -1.8098 4.5551 4.5551 4.9363 4.9363 4.9782 4.9782 5.4965 5.4965 5.6976 5.6976 5.7491 5.7491 8.0794 8.0794 8.1106 8.1106 8.3607 8.3607 13.4753 13.4753 13.6066 13.6066 13.9670 13.9670 17.9883 17.9883 k = 0.2754 0.2754 0.2754 ( 2317 PWs) bands (ev): -58.5108 -58.5108 -31.4083 -31.4083 -22.8040 -22.8040 -22.8028 -22.8028 -18.3876 -18.3876 -7.9157 -7.9157 -7.5190 -7.5190 -7.3815 -7.3815 -2.1890 -2.1890 -1.9764 -1.9764 -1.8174 -1.8174 4.5027 4.5027 4.8687 4.8687 4.8998 4.8998 5.4272 5.4272 5.6487 5.6487 5.6987 5.6987 8.1072 8.1072 8.1386 8.1386 8.3855 8.3855 13.5609 13.5609 13.6908 13.6908 14.0537 14.0537 18.0409 18.0409 k = 0.2826 0.2826 0.2826 ( 2311 PWs) bands (ev): -58.5107 -58.5107 -31.4090 -31.4090 -22.8069 -22.8069 -22.8057 -22.8057 -18.3865 -18.3865 -7.8831 -7.8831 -7.4953 -7.4953 -7.3559 -7.3559 -2.1958 -2.1958 -1.9835 -1.9835 -1.8260 -1.8260 4.4505 4.4505 4.8007 4.8007 4.8222 4.8222 5.3626 5.3626 5.6018 5.6018 5.6502 5.6502 8.1360 8.1360 8.1675 8.1675 8.4102 8.4102 13.6457 13.6457 13.7740 13.7740 14.1396 14.1396 18.0895 18.0895 k = 0.2899 0.2899 0.2899 ( 2317 PWs) bands (ev): -58.5107 -58.5107 -31.4097 -31.4097 -22.8098 -22.8098 -22.8086 -22.8086 -18.3854 -18.3854 -7.8509 -7.8509 -7.4709 -7.4709 -7.3304 -7.3304 -2.2029 -2.2029 -1.9909 -1.9909 -1.8357 -1.8357 4.3985 4.3985 4.7323 4.7323 4.7456 4.7456 5.3030 5.3030 5.5567 5.5567 5.6037 5.6037 8.1658 8.1658 8.1972 8.1972 8.4348 8.4348 13.7293 13.7293 13.8562 13.8562 14.2244 14.2244 18.1339 18.1339 k = 0.2971 0.2971 0.2971 ( 2317 PWs) bands (ev): -58.5106 -58.5106 -31.4103 -31.4103 -22.8126 -22.8126 -22.8115 -22.8115 -18.3843 -18.3843 -7.8192 -7.8192 -7.4459 -7.4459 -7.3050 -7.3050 -2.2104 -2.2104 -1.9986 -1.9986 -1.8463 -1.8463 4.3466 4.3466 4.6634 4.6634 4.6701 4.6701 5.2486 5.2486 5.5135 5.5135 5.5591 5.5591 8.1964 8.1964 8.2277 8.2277 8.4592 8.4592 13.8119 13.8119 13.9373 13.9373 14.3082 14.3082 18.1741 18.1741 k = 0.3043 0.3043 0.3043 ( 2323 PWs) bands (ev): -58.5106 -58.5106 -31.4110 -31.4110 -22.8154 -22.8154 -22.8143 -22.8143 -18.3832 -18.3832 -7.7881 -7.7881 -7.4202 -7.4202 -7.2796 -7.2796 -2.2181 -2.2181 -2.0063 -2.0063 -1.8578 -1.8578 4.2951 4.2951 4.5943 4.5943 4.5959 4.5959 5.1995 5.1995 5.4721 5.4721 5.5163 5.5163 8.2278 8.2278 8.2588 8.2588 8.4834 8.4834 13.8932 13.8932 14.0171 14.0171 14.3908 14.3908 18.2098 18.2098 k = 0.3116 0.3116 0.3116 ( 2326 PWs) bands (ev): -58.5106 -58.5106 -31.4116 -31.4116 -22.8181 -22.8181 -22.8171 -22.8171 -18.3822 -18.3822 -7.7577 -7.7577 -7.3940 -7.3940 -7.2545 -7.2545 -2.2261 -2.2261 -2.0143 -2.0143 -1.8702 -1.8702 4.2439 4.2439 4.5232 4.5232 4.5249 4.5249 5.1558 5.1558 5.4325 5.4325 5.4755 5.4755 8.2599 8.2599 8.2905 8.2905 8.5074 8.5074 13.9733 13.9733 14.0957 14.0957 14.4722 14.4722 18.2409 18.2409 k = 0.3188 0.3188 0.3188 ( 2323 PWs) bands (ev): -58.5106 -58.5106 -31.4122 -31.4122 -22.8208 -22.8208 -22.8198 -22.8198 -18.3812 -18.3812 -7.7282 -7.7282 -7.3671 -7.3671 -7.2296 -7.2296 -2.2344 -2.2344 -2.0224 -2.0224 -1.8833 -1.8833 4.1933 4.1933 4.4521 4.4521 4.4557 4.4557 5.1172 5.1172 5.3947 5.3947 5.4365 5.4365 8.2924 8.2924 8.3226 8.3226 8.5310 8.5310 14.0521 14.0521 14.1729 14.1729 14.5522 14.5522 18.2671 18.2671 k = 0.3261 0.3261 0.3261 ( 2323 PWs) bands (ev): -58.5105 -58.5105 -31.4128 -31.4128 -22.8234 -22.8234 -22.8225 -22.8225 -18.3802 -18.3802 -7.6996 -7.6996 -7.3397 -7.3397 -7.2050 -7.2050 -2.2428 -2.2428 -2.0305 -2.0305 -1.8972 -1.8972 4.1432 4.1432 4.3827 4.3827 4.3868 4.3868 5.0835 5.0835 5.3587 5.3587 5.3993 5.3993 8.3254 8.3254 8.3549 8.3549 8.5543 8.5543 14.1295 14.1295 14.2485 14.2485 14.6308 14.6308 18.2882 18.2882 k = 0.3333 0.3333 0.3333 ( 2329 PWs) bands (ev): -58.5105 -58.5105 -31.4134 -31.4134 -22.8259 -22.8259 -22.8251 -22.8251 -18.3793 -18.3793 -7.6720 -7.6720 -7.3119 -7.3119 -7.1808 -7.1808 -2.2515 -2.2515 -2.0387 -2.0387 -1.9117 -1.9117 4.0938 4.0938 4.3152 4.3152 4.3185 4.3185 5.0544 5.0544 5.3243 5.3243 5.3638 5.3638 8.3585 8.3585 8.3875 8.3875 8.5771 8.5771 14.2053 14.2053 14.3225 14.3225 14.7078 14.7078 18.3037 18.3037 k = 0.3406 0.3406 0.3406 ( 2317 PWs) bands (ev): -58.5104 -58.5104 -31.4140 -31.4140 -22.8284 -22.8284 -22.8276 -22.8276 -18.3783 -18.3783 -7.6455 -7.6455 -7.2837 -7.2837 -7.1569 -7.1569 -2.2602 -2.2602 -2.0469 -2.0469 -1.9266 -1.9266 4.0453 4.0453 4.2497 4.2497 4.2511 4.2511 5.0296 5.0296 5.2917 5.2917 5.3302 5.3302 8.3918 8.3918 8.4200 8.4200 8.5995 8.5995 14.2797 14.2797 14.3948 14.3948 14.7832 14.7832 18.3134 18.3134 k = 0.3478 0.3478 0.3478 ( 2317 PWs) bands (ev): -58.5104 -58.5104 -31.4145 -31.4145 -22.8308 -22.8308 -22.8300 -22.8300 -18.3774 -18.3774 -7.6201 -7.6201 -7.2552 -7.2552 -7.1336 -7.1336 -2.2691 -2.2691 -2.0552 -2.0552 -1.9420 -1.9420 3.9977 3.9977 4.1851 4.1851 4.1863 4.1863 5.0088 5.0088 5.2607 5.2607 5.2984 5.2984 8.4251 8.4251 8.4525 8.4525 8.6213 8.6213 14.3526 14.3526 14.4651 14.4651 14.8568 14.8568 18.3166 18.3166 k = 0.3551 0.3551 0.3551 ( 2323 PWs) bands (ev): -58.5104 -58.5104 -31.4151 -31.4151 -22.8331 -22.8331 -22.8324 -22.8324 -18.3766 -18.3766 -7.5959 -7.5959 -7.2266 -7.2266 -7.1109 -7.1109 -2.2781 -2.2781 -2.0634 -2.0634 -1.9576 -1.9576 3.9512 3.9512 4.1206 4.1206 4.1251 4.1251 4.9916 4.9916 5.2314 5.2314 5.2682 5.2682 8.4581 8.4581 8.4848 8.4848 8.6426 8.6426 14.4237 14.4237 14.5335 14.5335 14.9286 14.9286 18.3126 18.3126 k = 0.3623 0.3623 0.3623 ( 2323 PWs) bands (ev): -58.5103 -58.5103 -31.4156 -31.4156 -22.8354 -22.8354 -22.8347 -22.8347 -18.3758 -18.3758 -7.5729 -7.5729 -7.1979 -7.1979 -7.0887 -7.0887 -2.2871 -2.2871 -2.0715 -2.0715 -1.9735 -1.9735 3.9058 3.9058 4.0581 4.0581 4.0662 4.0662 4.9777 4.9777 5.2037 5.2037 5.2397 5.2397 8.4909 8.4909 8.5167 8.5167 8.6632 8.6632 14.4932 14.4932 14.5997 14.5997 14.9985 14.9985 18.3002 18.3002 k = 0.3696 0.3696 0.3696 ( 2323 PWs) bands (ev): -58.5103 -58.5103 -31.4161 -31.4161 -22.8375 -22.8375 -22.8369 -22.8369 -18.3750 -18.3750 -7.5510 -7.5510 -7.1695 -7.1695 -7.0672 -7.0672 -2.2962 -2.2962 -2.0795 -2.0795 -1.9893 -1.9893 3.8617 3.8617 3.9978 3.9978 4.0098 4.0098 4.9667 4.9667 5.1776 5.1776 5.2129 5.2129 8.5232 8.5232 8.5481 8.5481 8.6831 8.6831 14.5608 14.5608 14.6636 14.6636 15.0663 15.0663 18.2783 18.2783 k = 0.3768 0.3768 0.3768 ( 2323 PWs) bands (ev): -58.5103 -58.5103 -31.4166 -31.4166 -22.8395 -22.8395 -22.8390 -22.8390 -18.3742 -18.3742 -7.5303 -7.5303 -7.1413 -7.1413 -7.0465 -7.0465 -2.3052 -2.3052 -2.0873 -2.0873 -2.0051 -2.0051 3.8187 3.8187 3.9401 3.9401 3.9558 3.9558 4.9583 4.9583 5.1531 5.1531 5.1878 5.1878 8.5549 8.5549 8.5789 8.5789 8.7022 8.7022 14.6266 14.6266 14.7252 14.7252 15.1319 15.1319 18.2462 18.2462 k = 0.3841 0.3841 0.3841 ( 2326 PWs) bands (ev): -58.5103 -58.5103 -31.4171 -31.4171 -22.8415 -22.8415 -22.8410 -22.8410 -18.3735 -18.3735 -7.5109 -7.5109 -7.1136 -7.1136 -7.0265 -7.0265 -2.3141 -2.3141 -2.0949 -2.0949 -2.0206 -2.0206 3.7769 3.7769 3.8854 3.8854 3.9045 3.9045 4.9522 4.9522 5.1301 5.1301 5.1643 5.1643 8.5858 8.5858 8.6089 8.6089 8.7206 8.7206 14.6905 14.6905 14.7843 14.7843 15.1953 15.1953 18.2050 18.2050 k = 0.3913 0.3913 0.3913 ( 2332 PWs) bands (ev): -58.5102 -58.5102 -31.4175 -31.4175 -22.8434 -22.8434 -22.8430 -22.8430 -18.3728 -18.3728 -7.4926 -7.4926 -7.0866 -7.0866 -7.0074 -7.0074 -2.3229 -2.3229 -2.1023 -2.1023 -2.0359 -2.0359 3.7363 3.7363 3.8339 3.8339 3.8558 3.8558 4.9480 4.9480 5.1087 5.1087 5.1424 5.1424 8.6158 8.6158 8.6380 8.6380 8.7381 8.7381 14.7522 14.7522 14.8407 14.8407 15.2563 15.2563 18.1576 18.1576 k = 0.3986 0.3986 0.3986 ( 2338 PWs) bands (ev): -58.5102 -58.5102 -31.4179 -31.4179 -22.8451 -22.8451 -22.8448 -22.8448 -18.3722 -18.3722 -7.4755 -7.4755 -7.0603 -7.0603 -6.9892 -6.9892 -2.3316 -2.3316 -2.1095 -2.1095 -2.0507 -2.0507 3.6967 3.6967 3.7860 3.7860 3.8099 3.8099 4.9454 4.9454 5.0888 5.0888 5.1220 5.1220 8.6448 8.6448 8.6660 8.6660 8.7548 8.7548 14.8117 14.8117 14.8944 14.8944 15.3148 15.3148 18.1068 18.1068 k = 0.4058 0.4058 0.4058 ( 2338 PWs) bands (ev): -58.5102 -58.5102 -31.4183 -31.4183 -22.8468 -22.8468 -22.8465 -22.8465 -18.3716 -18.3716 -7.4596 -7.4596 -7.0351 -7.0351 -6.9720 -6.9720 -2.3400 -2.3400 -2.1163 -2.1163 -2.0649 -2.0649 3.6582 3.6582 3.7420 3.7420 3.7668 3.7668 4.9443 4.9443 5.0703 5.0703 5.1033 5.1033 8.6725 8.6725 8.6929 8.6929 8.7706 8.7706 14.8689 14.8689 14.9452 14.9452 15.3706 15.3706 18.0548 18.0548 k = 0.4130 0.4130 0.4130 ( 2332 PWs) bands (ev): -58.5102 -58.5102 -31.4187 -31.4187 -22.8483 -22.8483 -22.8480 -22.8480 -18.3710 -18.3710 -7.4448 -7.4448 -7.0110 -7.0110 -6.9558 -6.9558 -2.3481 -2.3481 -2.1228 -2.1228 -2.0785 -2.0785 3.6209 3.6209 3.7021 3.7021 3.7266 3.7266 4.9443 4.9443 5.0533 5.0533 5.0861 5.0861 8.6988 8.6988 8.7184 8.7184 8.7854 8.7854 14.9235 14.9235 14.9929 14.9929 15.4237 15.4237 18.0031 18.0031 k = 0.4203 0.4203 0.4203 ( 2326 PWs) bands (ev): -58.5101 -58.5101 -31.4190 -31.4190 -22.8497 -22.8497 -22.8495 -22.8495 -18.3704 -18.3704 -7.4312 -7.4312 -6.9882 -6.9882 -6.9407 -6.9407 -2.3559 -2.3559 -2.1289 -2.1289 -2.0913 -2.0913 3.5849 3.5849 3.6663 3.6663 3.6894 3.6894 4.9452 4.9452 5.0377 5.0377 5.0705 5.0705 8.7237 8.7237 8.7425 8.7425 8.7992 8.7992 14.9754 14.9754 15.0376 15.0376 15.4739 15.4739 17.9526 17.9526 k = 0.4275 0.4275 0.4275 ( 2326 PWs) bands (ev): -58.5101 -58.5101 -31.4193 -31.4193 -22.8510 -22.8510 -22.8508 -22.8508 -18.3699 -18.3699 -7.4188 -7.4188 -6.9668 -6.9668 -6.9267 -6.9267 -2.3633 -2.3633 -2.1346 -2.1346 -2.1033 -2.1033 3.5506 3.5506 3.6343 3.6343 3.6553 3.6553 4.9467 4.9467 5.0236 5.0236 5.0564 5.0564 8.7468 8.7468 8.7649 8.7649 8.8119 8.8119 15.0243 15.0243 15.0789 15.0789 15.5208 15.5208 17.9040 17.9040 k = 0.4348 0.4348 0.4348 ( 2320 PWs) bands (ev): -58.5101 -58.5101 -31.4196 -31.4196 -22.8522 -22.8522 -22.8520 -22.8520 -18.3695 -18.3695 -7.4076 -7.4076 -6.9470 -6.9470 -6.9139 -6.9139 -2.3703 -2.3703 -2.1398 -2.1398 -2.1143 -2.1143 3.5184 3.5184 3.6060 3.6060 3.6242 3.6242 4.9486 4.9486 5.0109 5.0109 5.0438 5.0438 8.7681 8.7681 8.7857 8.7857 8.8237 8.8237 15.0700 15.0700 15.1167 15.1167 15.5645 15.5645 17.8581 17.8581 k = 0.4420 0.4420 0.4420 ( 2314 PWs) bands (ev): -58.5101 -58.5101 -31.4198 -31.4198 -22.8532 -22.8532 -22.8531 -22.8531 -18.3690 -18.3690 -7.3975 -7.3975 -6.9289 -6.9289 -6.9023 -6.9023 -2.3768 -2.3768 -2.1446 -2.1446 -2.1243 -2.1243 3.4888 3.4888 3.5811 3.5811 3.5962 3.5962 4.9506 4.9506 4.9995 4.9995 5.0329 5.0329 8.7875 8.7875 8.8046 8.8046 8.8344 8.8344 15.1121 15.1121 15.1509 15.1509 15.6045 15.6045 17.8152 17.8152 k = 0.4493 0.4493 0.4493 ( 2305 PWs) bands (ev): -58.5100 -58.5100 -31.4200 -31.4200 -22.8541 -22.8541 -22.8541 -22.8541 -18.3687 -18.3687 -7.3886 -7.3886 -6.9127 -6.9127 -6.8920 -6.8920 -2.3826 -2.3826 -2.1489 -2.1489 -2.1332 -2.1332 3.4621 3.4621 3.5594 3.5594 3.5715 3.5715 4.9526 4.9526 4.9896 4.9896 5.0235 5.0235 8.8048 8.8048 8.8216 8.8216 8.8440 8.8440 15.1505 15.1505 15.1815 15.1815 15.6409 15.6409 17.7758 17.7758 k = 0.4565 0.4565 0.4565 ( 2311 PWs) bands (ev): -58.5100 -58.5100 -31.4202 -31.4202 -22.8550 -22.8550 -22.8550 -22.8550 -18.3684 -18.3684 -7.3809 -7.3809 -6.8984 -6.8984 -6.8830 -6.8830 -2.3879 -2.3879 -2.1526 -2.1526 -2.1411 -2.1411 3.4384 3.4384 3.5408 3.5408 3.5499 3.5499 4.9543 4.9543 4.9809 4.9809 5.0157 5.0157 8.8198 8.8198 8.8365 8.8365 8.8525 8.8525 15.1845 15.1845 15.2083 15.2083 15.6731 15.6731 17.7404 17.7404 k = 0.4638 0.4638 0.4638 ( 2314 PWs) bands (ev): -58.5100 -58.5100 -31.4204 -31.4204 -22.8557 -22.8557 -22.8557 -22.8557 -18.3681 -18.3681 -7.3743 -7.3743 -6.8861 -6.8861 -6.8753 -6.8753 -2.3924 -2.3924 -2.1559 -2.1559 -2.1478 -2.1478 3.4182 3.4182 3.5251 3.5251 3.5316 3.5316 4.9556 4.9556 4.9737 4.9737 5.0094 5.0094 8.8325 8.8325 8.8492 8.8492 8.8600 8.8600 15.2140 15.2140 15.2311 15.2311 15.7010 15.7010 17.7095 17.7095 k = 0.4710 0.4710 0.4710 ( 2314 PWs) bands (ev): -58.5100 -58.5100 -31.4205 -31.4205 -22.8563 -22.8563 -22.8563 -22.8563 -18.3679 -18.3679 -7.3690 -7.3690 -6.8760 -6.8760 -6.8690 -6.8690 -2.3962 -2.3962 -2.1585 -2.1585 -2.1534 -2.1534 3.4014 3.4014 3.5124 3.5124 3.5166 3.5166 4.9566 4.9566 4.9677 4.9677 5.0047 5.0047 8.8427 8.8427 8.8598 8.8598 8.8664 8.8664 15.2387 15.2387 15.2500 15.2500 15.7244 15.7244 17.6833 17.6833 k = 0.4783 0.4783 0.4783 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4207 -31.4207 -22.8568 -22.8568 -22.8568 -22.8568 -18.3677 -18.3677 -7.3648 -7.3648 -6.8680 -6.8680 -6.8640 -6.8640 -2.3993 -2.3993 -2.1606 -2.1606 -2.1577 -2.1577 3.3882 3.3882 3.5025 3.5025 3.5049 3.5049 4.9570 4.9570 4.9631 4.9631 5.0014 5.0014 8.8505 8.8505 8.8681 8.8681 8.8716 8.8716 15.2582 15.2582 15.2647 15.2647 15.7429 15.7429 17.6625 17.6625 k = 0.4855 0.4855 0.4855 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4207 -31.4207 -22.8571 -22.8571 -22.8571 -22.8571 -18.3676 -18.3676 -7.3618 -7.3618 -6.8623 -6.8623 -6.8605 -6.8605 -2.4014 -2.4014 -2.1621 -2.1621 -2.1608 -2.1608 3.3788 3.3788 3.4954 3.4954 3.4965 3.4965 4.9572 4.9572 4.9598 4.9598 4.9993 4.9993 8.8559 8.8559 8.8740 8.8740 8.8755 8.8755 15.2723 15.2723 15.2753 15.2753 15.7563 15.7563 17.6473 17.6473 k = 0.4928 0.4928 0.4928 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4208 -31.4208 -22.8573 -22.8573 -22.8573 -22.8573 -18.3675 -18.3675 -7.3600 -7.3600 -6.8588 -6.8588 -6.8584 -6.8584 -2.4028 -2.4028 -2.1630 -2.1630 -2.1627 -2.1627 3.3731 3.3731 3.4912 3.4912 3.4915 3.4915 4.9572 4.9572 4.9579 4.9579 4.9981 4.9981 8.8591 8.8591 8.8776 8.8776 8.8780 8.8780 15.2809 15.2809 15.2817 15.2817 15.7644 15.7644 17.6380 17.6380 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4208 -31.4208 -22.8574 -22.8574 -22.8574 -22.8574 -18.3675 -18.3675 -7.3594 -7.3594 -6.8577 -6.8577 -6.8577 -6.8577 -2.4032 -2.4032 -2.1633 -2.1633 -2.1633 -2.1633 3.3712 3.3712 3.4898 3.4898 3.4898 3.4898 4.9572 4.9572 4.9572 4.9572 4.9977 4.9977 8.8602 8.8602 8.8788 8.8788 8.8788 8.8788 15.2838 15.2838 15.2838 15.2838 15.7671 15.7671 17.6349 17.6349 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4208 -31.4208 -22.8574 -22.8574 -22.8574 -22.8574 -18.3675 -18.3675 -7.3594 -7.3594 -6.8577 -6.8577 -6.8577 -6.8577 -2.4032 -2.4032 -2.1633 -2.1633 -2.1633 -2.1633 3.3712 3.3712 3.4898 3.4898 3.4898 3.4898 4.9572 4.9572 4.9572 4.9572 4.9977 4.9977 8.8602 8.8602 8.8788 8.8788 8.8788 8.8788 15.2838 15.2838 15.2838 15.2838 15.7671 15.7671 17.6349 17.6349 k = 0.4911 0.5000 0.4911 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4208 -31.4208 -22.8573 -22.8573 -22.8572 -22.8572 -18.3675 -18.3675 -7.3600 -7.3600 -6.8590 -6.8590 -6.8582 -6.8582 -2.4028 -2.4028 -2.1630 -2.1630 -2.1627 -2.1627 3.3731 3.3731 3.4906 3.4906 3.4922 3.4922 4.9571 4.9571 4.9580 4.9580 4.9981 4.9981 8.8591 8.8591 8.8775 8.8775 8.8781 8.8781 15.2806 15.2806 15.2820 15.2820 15.7644 15.7644 17.6381 17.6381 k = 0.4821 0.5000 0.4821 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4207 -31.4207 -22.8572 -22.8572 -22.8569 -22.8569 -18.3676 -18.3676 -7.3618 -7.3618 -6.8632 -6.8632 -6.8596 -6.8596 -2.4014 -2.4014 -2.1620 -2.1620 -2.1609 -2.1609 3.3787 3.3787 3.4931 3.4931 3.4993 3.4993 4.9567 4.9567 4.9603 4.9603 4.9993 4.9993 8.8558 8.8558 8.8736 8.8736 8.8759 8.8759 15.2710 15.2710 15.2764 15.2764 15.7562 15.7562 17.6474 17.6474 k = 0.4732 0.5000 0.4732 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4207 -31.4207 -22.8571 -22.8571 -22.8564 -22.8564 -18.3677 -18.3677 -7.3649 -7.3649 -6.8701 -6.8701 -6.8621 -6.8621 -2.3992 -2.3992 -2.1604 -2.1604 -2.1578 -2.1578 3.3873 3.3873 3.4978 3.4978 3.5111 3.5111 4.9558 4.9558 4.9640 4.9640 5.0018 5.0018 8.8500 8.8500 8.8674 8.8674 8.8726 8.8726 15.2551 15.2551 15.2673 15.2673 15.7427 15.7427 17.6626 17.6627 k = 0.4643 0.5000 0.4643 ( 2314 PWs) bands (ev): -58.5100 -58.5100 -31.4205 -31.4205 -22.8569 -22.8569 -22.8557 -22.8557 -18.3679 -18.3679 -7.3691 -7.3691 -6.8797 -6.8797 -6.8655 -6.8655 -2.3961 -2.3961 -2.1581 -2.1581 -2.1536 -2.1536 3.3979 3.3979 3.5057 3.5057 3.5277 3.5277 4.9543 4.9543 4.9691 4.9691 5.0058 5.0058 8.8412 8.8412 8.8589 8.8589 8.8682 8.8682 15.2331 15.2331 15.2546 15.2546 15.7244 15.7244 17.6834 17.6834 k = 0.4554 0.5000 0.4554 ( 2308 PWs) bands (ev): -58.5100 -58.5100 -31.4204 -31.4204 -22.8566 -22.8566 -22.8547 -22.8547 -18.3681 -18.3681 -7.3747 -7.3747 -6.8918 -6.8918 -6.8698 -6.8698 -2.3923 -2.3923 -2.1552 -2.1552 -2.1482 -2.1482 3.4090 3.4090 3.5182 3.5182 3.5490 3.5490 4.9518 4.9518 4.9752 4.9752 5.0120 5.0120 8.8293 8.8293 8.8484 8.8484 8.8629 8.8629 15.2052 15.2052 15.2385 15.2385 15.7015 15.7015 17.7090 17.7090 k = 0.4464 0.5000 0.4464 ( 2308 PWs) bands (ev): -58.5100 -58.5100 -31.4202 -31.4202 -22.8563 -22.8563 -22.8536 -22.8536 -18.3684 -18.3684 -7.3815 -7.3815 -6.9065 -6.9065 -6.8749 -6.8749 -2.3876 -2.3876 -2.1517 -2.1517 -2.1417 -2.1417 3.4189 3.4189 3.5367 3.5367 3.5752 3.5752 4.9484 4.9484 4.9823 4.9823 5.0204 5.0204 8.8142 8.8142 8.8362 8.8362 8.8567 8.8567 15.1717 15.1717 15.2190 15.2190 15.6746 15.6746 17.7390 17.7390 k = 0.4375 0.5000 0.4375 ( 2308 PWs) bands (ev): -58.5100 -58.5100 -31.4200 -31.4200 -22.8559 -22.8559 -22.8523 -22.8523 -18.3687 -18.3687 -7.3896 -7.3896 -6.9236 -6.9236 -6.8809 -6.8809 -2.3822 -2.3822 -2.1475 -2.1475 -2.1340 -2.1340 3.4267 3.4267 3.5620 3.5620 3.6063 3.6063 4.9441 4.9441 4.9902 4.9902 5.0315 5.0315 8.7961 8.7961 8.8221 8.8221 8.8497 8.8497 15.1328 15.1328 15.1963 15.1963 15.6440 15.6440 17.7725 17.7725 k = 0.4286 0.5000 0.4286 ( 2320 PWs) bands (ev): -58.5101 -58.5101 -31.4198 -31.4198 -22.8555 -22.8555 -22.8508 -22.8508 -18.3691 -18.3691 -7.3990 -7.3990 -6.9430 -6.9430 -6.8875 -6.8875 -2.3762 -2.3762 -2.1428 -2.1428 -2.1254 -2.1254 3.4323 3.4323 3.5939 3.5939 3.6423 3.6423 4.9391 4.9391 4.9988 4.9988 5.0452 5.0452 8.7750 8.7750 8.8063 8.8063 8.8417 8.8417 15.0887 15.0887 15.1706 15.1706 15.6102 15.6102 17.8091 17.8091 k = 0.4196 0.5000 0.4196 ( 2324 PWs) bands (ev): -58.5101 -58.5101 -31.4196 -31.4196 -22.8551 -22.8551 -22.8491 -22.8491 -18.3695 -18.3695 -7.4098 -7.4098 -6.9644 -6.9644 -6.8948 -6.8948 -2.3696 -2.3696 -2.1375 -2.1375 -2.1158 -2.1158 3.4360 3.4360 3.6316 3.6316 3.6836 3.6836 4.9335 4.9335 5.0082 5.0082 5.0615 5.0615 8.7513 8.7513 8.7887 8.7887 8.8328 8.8328 15.0399 15.0399 15.1420 15.1420 15.5738 15.5738 17.8482 17.8482 k = 0.4107 0.5000 0.4107 ( 2328 PWs) bands (ev): -58.5101 -58.5101 -31.4193 -31.4193 -22.8546 -22.8546 -22.8472 -22.8472 -18.3699 -18.3699 -7.4221 -7.4221 -6.9878 -6.9878 -6.9026 -6.9026 -2.3624 -2.3624 -2.1316 -2.1316 -2.1053 -2.1053 3.4384 3.4384 3.6743 3.6743 3.7300 3.7300 4.9276 4.9276 5.0184 5.0184 5.0804 5.0804 8.7252 8.7252 8.7694 8.7694 8.8227 8.8227 14.9867 14.9867 15.1110 15.1110 15.5351 15.5351 17.8894 17.8894 k = 0.4018 0.5000 0.4018 ( 2328 PWs) bands (ev): -58.5101 -58.5101 -31.4190 -31.4190 -22.8540 -22.8540 -22.8451 -22.8451 -18.3704 -18.3704 -7.4358 -7.4358 -7.0130 -7.0130 -6.9108 -6.9108 -2.3547 -2.3547 -2.1252 -2.1252 -2.0939 -2.0939 3.4399 3.4399 3.7211 3.7211 3.7817 3.7817 4.9214 4.9214 5.0296 5.0296 5.1017 5.1017 8.6968 8.6968 8.7486 8.7486 8.8116 8.8116 14.9291 14.9291 15.0776 15.0776 15.4945 15.4945 17.9324 17.9324 k = 0.3929 0.5000 0.3929 ( 2328 PWs) bands (ev): -58.5102 -58.5102 -31.4187 -31.4187 -22.8534 -22.8534 -22.8429 -22.8429 -18.3710 -18.3710 -7.4511 -7.4511 -7.0397 -7.0397 -6.9194 -6.9194 -2.3465 -2.3465 -2.1182 -2.1182 -2.0817 -2.0817 3.4407 3.4407 3.7718 3.7718 3.8386 3.8386 4.9152 4.9152 5.0416 5.0416 5.1256 5.1256 8.6663 8.6663 8.7261 8.7261 8.7994 8.7994 14.8675 14.8675 15.0421 15.0421 15.4524 15.4524 17.9770 17.9770 k = 0.3839 0.5000 0.3839 ( 2328 PWs) bands (ev): -58.5102 -58.5102 -31.4183 -31.4183 -22.8528 -22.8528 -22.8405 -22.8405 -18.3715 -18.3715 -7.4679 -7.4679 -7.0678 -7.0678 -6.9282 -6.9282 -2.3380 -2.3380 -2.1108 -2.1108 -2.0689 -2.0689 3.4412 3.4412 3.8258 3.8258 3.9005 3.9005 4.9093 4.9093 5.0546 5.0546 5.1519 5.1519 8.6339 8.6339 8.7022 8.7022 8.7860 8.7860 14.8021 14.8021 15.0049 15.0049 15.4089 15.4089 18.0230 18.0230 k = 0.3750 0.5000 0.3750 ( 2324 PWs) bands (ev): -58.5102 -58.5102 -31.4179 -31.4179 -22.8521 -22.8521 -22.8379 -22.8379 -18.3721 -18.3721 -7.4863 -7.4863 -7.0970 -7.0970 -6.9372 -6.9372 -2.3292 -2.3292 -2.1029 -2.1029 -2.0555 -2.0555 3.4413 3.4413 3.8829 3.8829 3.9671 3.9671 4.9037 4.9037 5.0686 5.0686 5.1807 5.1807 8.5998 8.5998 8.6768 8.6768 8.7715 8.7715 14.7332 14.7332 14.9660 14.9660 15.3643 15.3643 18.0702 18.0702 k = 0.3661 0.5000 0.3661 ( 2320 PWs) bands (ev): -58.5102 -58.5102 -31.4175 -31.4175 -22.8513 -22.8513 -22.8351 -22.8351 -18.3727 -18.3727 -7.5064 -7.5064 -7.1271 -7.1271 -6.9463 -6.9463 -2.3201 -2.3201 -2.0946 -2.0946 -2.0417 -2.0417 3.4412 3.4412 3.9431 3.9431 4.0382 4.0382 4.8988 4.8988 5.0837 5.0837 5.2120 5.2120 8.5641 8.5641 8.6501 8.6501 8.7557 8.7557 14.6608 14.6608 14.9259 14.9259 15.3188 15.3188 18.1184 18.1184 k = 0.3571 0.5000 0.3571 ( 2326 PWs) bands (ev): -58.5103 -58.5103 -31.4171 -31.4171 -22.8506 -22.8506 -22.8323 -22.8323 -18.3734 -18.3734 -7.5282 -7.5282 -7.1580 -7.1580 -6.9553 -6.9553 -2.3107 -2.3107 -2.0859 -2.0859 -2.0275 -2.0275 3.4409 3.4409 4.0061 4.0061 4.1135 4.1135 4.8946 4.8946 5.0998 5.0998 5.2459 5.2459 8.5271 8.5271 8.6220 8.6220 8.7386 8.7386 14.5853 14.5853 14.8847 14.8847 15.2726 15.2726 18.1675 18.1675 k = 0.3482 0.5000 0.3482 ( 2322 PWs) bands (ev): -58.5103 -58.5103 -31.4167 -31.4167 -22.8497 -22.8497 -22.8292 -22.8292 -18.3741 -18.3741 -7.5518 -7.5518 -7.1893 -7.1893 -6.9642 -6.9642 -2.3012 -2.3012 -2.0768 -2.0768 -2.0131 -2.0131 3.4404 3.4404 4.0718 4.0718 4.1925 4.1925 4.8915 4.8915 5.1170 5.1170 5.2824 5.2824 8.4890 8.4890 8.5928 8.5928 8.7203 8.7203 14.5068 14.5068 14.8427 14.8427 15.2259 15.2259 18.2173 18.2173 k = 0.3393 0.5000 0.3393 ( 2326 PWs) bands (ev): -58.5103 -58.5103 -31.4162 -31.4162 -22.8489 -22.8489 -22.8261 -22.8261 -18.3748 -18.3748 -7.5771 -7.5771 -7.2210 -7.2210 -6.9729 -6.9729 -2.2916 -2.2916 -2.0674 -2.0674 -1.9986 -1.9986 3.4399 3.4399 4.1400 4.1400 4.2749 4.2749 4.8896 4.8896 5.1353 5.1353 5.3215 5.3215 8.4500 8.4500 8.5623 8.5623 8.7006 8.7006 14.4256 14.4256 14.8001 14.8001 15.1787 15.1787 18.2673 18.2673 k = 0.3304 0.5000 0.3304 ( 2322 PWs) bands (ev): -58.5103 -58.5103 -31.4157 -31.4157 -22.8480 -22.8480 -22.8228 -22.8228 -18.3756 -18.3756 -7.6041 -7.6041 -7.2527 -7.2527 -6.9814 -6.9814 -2.2818 -2.2818 -2.0577 -2.0577 -1.9841 -1.9841 3.4394 3.4394 4.2105 4.2105 4.3605 4.3605 4.8892 4.8892 5.1547 5.1547 5.3635 5.3635 8.4102 8.4102 8.5307 8.5307 8.6796 8.6796 14.3417 14.3417 14.7570 14.7570 15.1314 15.1314 18.3172 18.3172 k = 0.3214 0.5000 0.3214 ( 2326 PWs) bands (ev): -58.5104 -58.5104 -31.4152 -31.4152 -22.8471 -22.8471 -22.8195 -22.8195 -18.3763 -18.3763 -7.6327 -7.6327 -7.2843 -7.2843 -6.9895 -6.9895 -2.2721 -2.2721 -2.0477 -2.0477 -1.9697 -1.9697 3.4388 3.4388 4.2831 4.2831 4.4489 4.4489 4.8905 4.8905 5.1752 5.1752 5.4084 5.4084 8.3698 8.3698 8.4980 8.4980 8.6572 8.6572 14.2554 14.2554 14.7137 14.7137 15.0838 15.0838 18.3664 18.3664 k = 0.3125 0.5000 0.3125 ( 2338 PWs) bands (ev): -58.5104 -58.5104 -31.4148 -31.4148 -22.8463 -22.8463 -22.8161 -22.8161 -18.3771 -18.3771 -7.6630 -7.6630 -7.3158 -7.3158 -6.9973 -6.9973 -2.2623 -2.2623 -2.0376 -2.0376 -1.9556 -1.9556 3.4382 3.4382 4.3575 4.3575 4.5397 4.5397 4.8938 4.8938 5.1969 5.1969 5.4562 5.4562 8.3291 8.3291 8.4642 8.4642 8.6334 8.6334 14.1668 14.1668 14.6704 14.6704 15.0363 15.0363 18.4141 18.4141 k = 0.3036 0.5000 0.3036 ( 2344 PWs) bands (ev): -58.5105 -58.5105 -31.4143 -31.4143 -22.8453 -22.8453 -22.8125 -22.8125 -18.3779 -18.3779 -7.6948 -7.6948 -7.3469 -7.3469 -7.0047 -7.0047 -2.2525 -2.2525 -2.0273 -2.0273 -1.9419 -1.9419 3.4376 3.4376 4.4333 4.4333 4.6325 4.6325 4.8993 4.8993 5.2197 5.2197 5.5071 5.5071 8.2883 8.2883 8.4294 8.4294 8.6081 8.6081 14.0761 14.0761 14.6272 14.6272 14.9889 14.9889 18.4594 18.4594 k = 0.2946 0.5000 0.2946 ( 2344 PWs) bands (ev): -58.5105 -58.5105 -31.4137 -31.4137 -22.8444 -22.8444 -22.8089 -22.8089 -18.3787 -18.3787 -7.7280 -7.7280 -7.3776 -7.3776 -7.0116 -7.0116 -2.2428 -2.2428 -2.0169 -2.0169 -1.9286 -1.9286 3.4370 3.4370 4.5102 4.5102 4.7270 4.7270 4.9074 4.9074 5.2436 5.2436 5.5613 5.5613 8.2475 8.2475 8.3935 8.3935 8.5814 8.5814 13.9834 13.9834 14.5843 14.5843 14.9418 14.9418 18.5008 18.5008 k = 0.2857 0.5000 0.2857 ( 2330 PWs) bands (ev): -58.5105 -58.5105 -31.4132 -31.4132 -22.8434 -22.8434 -22.8052 -22.8052 -18.3795 -18.3795 -7.7623 -7.7623 -7.4078 -7.4078 -7.0180 -7.0180 -2.2331 -2.2331 -2.0064 -2.0064 -1.9157 -1.9157 3.4365 3.4365 4.5876 4.5876 4.8227 4.8227 4.9187 4.9187 5.2688 5.2688 5.6189 5.6189 8.2069 8.2069 8.3566 8.3566 8.5533 8.5533 13.8890 13.8890 14.5418 14.5418 14.8953 14.8953 18.5364 18.5365 k = 0.2768 0.5000 0.2768 ( 2330 PWs) bands (ev): -58.5105 -58.5105 -31.4126 -31.4126 -22.8424 -22.8424 -22.8014 -22.8014 -18.3803 -18.3803 -7.7977 -7.7977 -7.4374 -7.4374 -7.0240 -7.0240 -2.2235 -2.2235 -1.9959 -1.9959 -1.9036 -1.9036 3.4360 3.4360 4.6648 4.6648 4.9168 4.9168 4.9360 4.9360 5.2951 5.2951 5.6800 5.6800 8.1669 8.1669 8.3186 8.3186 8.5236 8.5236 13.7928 13.7928 14.4999 14.4999 14.8492 14.8492 18.5639 18.5639 k = 0.2679 0.5000 0.2679 ( 2326 PWs) bands (ev): -58.5106 -58.5106 -31.4121 -31.4121 -22.8414 -22.8414 -22.7976 -22.7976 -18.3812 -18.3812 -7.8340 -7.8340 -7.4665 -7.4665 -7.0294 -7.0294 -2.2140 -2.2140 -1.9854 -1.9854 -1.8922 -1.8922 3.4355 3.4355 4.7405 4.7405 4.9513 4.9513 5.0181 5.0181 5.3228 5.3228 5.7448 5.7448 8.1275 8.1275 8.2797 8.2797 8.4924 8.4924 13.6952 13.6952 14.4587 14.4587 14.8038 14.8038 18.5794 18.5794 k = 0.2589 0.5000 0.2589 ( 2326 PWs) bands (ev): -58.5106 -58.5106 -31.4115 -31.4115 -22.8404 -22.8404 -22.7938 -22.7938 -18.3820 -18.3820 -7.8709 -7.8709 -7.4949 -7.4949 -7.0344 -7.0344 -2.2048 -2.2048 -1.9750 -1.9750 -1.8815 -1.8815 3.4351 3.4351 4.8126 4.8126 4.9776 4.9776 5.1149 5.1149 5.3517 5.3517 5.8134 5.8134 8.0889 8.0889 8.2396 8.2396 8.4598 8.4598 13.5961 13.5961 14.4182 14.4182 14.7592 14.7592 18.5756 18.5756 k = 0.2500 0.5000 0.2500 ( 2332 PWs) bands (ev): -58.5106 -58.5106 -31.4110 -31.4110 -22.8394 -22.8394 -22.7900 -22.7900 -18.3828 -18.3828 -7.9083 -7.9083 -7.5227 -7.5227 -7.0389 -7.0389 -2.1957 -2.1957 -1.9646 -1.9646 -1.8717 -1.8717 3.4348 3.4348 4.8771 4.8771 5.0140 5.0140 5.2114 5.2114 5.3822 5.3822 5.8858 5.8858 8.0515 8.0515 8.1985 8.1985 8.4256 8.4256 13.4957 13.4957 14.3787 14.3787 14.7156 14.7156 18.5408 18.5408 k = 0.2411 0.5000 0.2411 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4104 -31.4104 -22.8383 -22.8383 -22.7861 -22.7861 -18.3836 -18.3836 -7.9459 -7.9459 -7.5499 -7.5499 -7.0429 -7.0429 -2.1868 -2.1868 -1.9544 -1.9544 -1.8626 -1.8626 3.4346 3.4346 4.9302 4.9302 5.0642 5.0642 5.3063 5.3063 5.4148 5.4148 5.9622 5.9622 8.0154 8.0154 8.1563 8.1563 8.3900 8.3900 13.3943 13.3943 14.3402 14.3402 14.6731 14.6731 18.4713 18.4713 k = 0.2321 0.5000 0.2321 ( 2320 PWs) bands (ev): -58.5107 -58.5107 -31.4098 -31.4098 -22.8373 -22.8373 -22.7822 -22.7822 -18.3844 -18.3844 -7.9836 -7.9836 -7.5765 -7.5765 -7.0464 -7.0464 -2.1782 -2.1782 -1.9445 -1.9445 -1.8544 -1.8544 3.4344 3.4344 4.9730 4.9730 5.1270 5.1270 5.3959 5.3959 5.4530 5.4530 6.0425 6.0425 7.9808 7.9808 8.1130 8.1130 8.3529 8.3529 13.2919 13.2919 14.3028 14.3028 14.6317 14.6317 18.3741 18.3741 k = 0.2232 0.5000 0.2232 ( 2320 PWs) bands (ev): -58.5107 -58.5107 -31.4093 -31.4093 -22.8363 -22.8363 -22.7784 -22.7784 -18.3852 -18.3852 -8.0211 -8.0211 -7.6024 -7.6024 -7.0494 -7.0494 -2.1698 -2.1698 -1.9347 -1.9347 -1.8471 -1.8471 3.4343 3.4343 5.0106 5.0106 5.1971 5.1971 5.4617 5.4617 5.5148 5.5148 6.1265 6.1265 7.9480 7.9480 8.0686 8.0686 8.3144 8.3144 13.1888 13.1888 14.2665 14.2665 14.5915 14.5915 18.2586 18.2586 k = 0.2143 0.5000 0.2143 ( 2312 PWs) bands (ev): -58.5107 -58.5107 -31.4087 -31.4087 -22.8353 -22.8353 -22.7745 -22.7745 -18.3860 -18.3860 -8.0584 -8.0584 -7.6275 -7.6275 -7.0520 -7.0520 -2.1617 -2.1617 -1.9253 -1.9253 -1.8405 -1.8405 3.4342 3.4342 5.0470 5.0470 5.2701 5.2701 5.5030 5.5030 5.6005 5.6005 6.2140 6.2140 7.9171 7.9171 8.0232 8.0232 8.2745 8.2745 13.0851 13.0851 14.2315 14.2315 14.5527 14.5527 18.1318 18.1318 k = 0.2054 0.5000 0.2054 ( 2310 PWs) bands (ev): -58.5108 -58.5108 -31.4082 -31.4082 -22.8344 -22.8344 -22.7708 -22.7708 -18.3868 -18.3868 -8.0952 -8.0952 -7.6520 -7.6520 -7.0542 -7.0542 -2.1540 -2.1540 -1.9162 -1.9162 -1.8347 -1.8347 3.4343 3.4343 5.0842 5.0842 5.3438 5.3438 5.5403 5.5403 5.6897 5.6897 6.3048 6.3048 7.8885 7.8885 7.9766 7.9766 8.2333 8.2333 12.9810 12.9810 14.1978 14.1978 14.5154 14.5154 17.9984 17.9984 k = 0.1964 0.5000 0.1964 ( 2314 PWs) bands (ev): -58.5108 -58.5108 -31.4077 -31.4077 -22.8334 -22.8334 -22.7671 -22.7671 -18.3875 -18.3875 -8.1315 -8.1315 -7.6758 -7.6758 -7.0560 -7.0560 -2.1467 -2.1467 -1.9075 -1.9075 -1.8297 -1.8297 3.4344 3.4344 5.1231 5.1231 5.4171 5.4171 5.5774 5.5774 5.7778 5.7778 6.3984 6.3984 7.8621 7.8621 7.9291 7.9291 8.1908 8.1908 12.8767 12.8767 14.1655 14.1655 14.4795 14.4795 17.8614 17.8614 k = 0.1875 0.5000 0.1875 ( 2318 PWs) bands (ev): -58.5108 -58.5108 -31.4071 -31.4071 -22.8325 -22.8325 -22.7635 -22.7635 -18.3883 -18.3883 -8.1669 -8.1669 -7.6988 -7.6988 -7.0574 -7.0574 -2.1397 -2.1397 -1.8993 -1.8993 -1.8253 -1.8253 3.4345 3.4345 5.1642 5.1642 5.4891 5.4891 5.6152 5.6152 5.8640 5.8640 6.4943 6.4943 7.8379 7.8379 7.8812 7.8812 8.1471 8.1471 12.7724 12.7724 14.1346 14.1346 14.4452 14.4452 17.7229 17.7229 k = 0.1786 0.5000 0.1786 ( 2306 PWs) bands (ev): -58.5108 -58.5108 -31.4066 -31.4066 -22.8315 -22.8315 -22.7599 -22.7599 -18.3890 -18.3890 -8.2015 -8.2015 -7.7210 -7.7210 -7.0584 -7.0584 -2.1331 -2.1331 -1.8916 -1.8916 -1.8214 -1.8214 3.4348 3.4348 5.2077 5.2077 5.5595 5.5595 5.6538 5.6538 5.9478 5.9478 6.5920 6.5920 7.8125 7.8125 7.8363 7.8363 8.1022 8.1022 12.6683 12.6683 14.1052 14.1052 14.4126 14.4126 17.5843 17.5843 k = 0.1696 0.5000 0.1696 ( 2306 PWs) bands (ev): -58.5109 -58.5109 -31.4061 -31.4061 -22.8306 -22.8306 -22.7564 -22.7564 -18.3897 -18.3897 -8.2351 -8.2351 -7.7423 -7.7423 -7.0592 -7.0592 -2.1269 -2.1269 -1.8845 -1.8845 -1.8179 -1.8179 3.4351 3.4351 5.2536 5.2536 5.6277 5.6277 5.6935 5.6935 6.0287 6.0287 6.6909 6.6909 7.7717 7.7717 7.8090 7.8090 8.0564 8.0564 12.5648 12.5648 14.0772 14.0772 14.3815 14.3815 17.4467 17.4467 k = 0.1607 0.5000 0.1607 ( 2306 PWs) bands (ev): -58.5109 -58.5109 -31.4056 -31.4056 -22.8298 -22.8298 -22.7530 -22.7530 -18.3904 -18.3904 -8.2676 -8.2676 -7.7629 -7.7629 -7.0596 -7.0596 -2.1212 -2.1212 -1.8781 -1.8781 -1.8147 -1.8147 3.4354 3.4354 5.3019 5.3019 5.6931 5.6931 5.7345 5.7345 6.1064 6.1064 6.7904 6.7904 7.7210 7.7210 7.7941 7.7941 8.0096 8.0096 12.4620 12.4620 14.0508 14.0508 14.3521 14.3521 17.3108 17.3108 k = 0.1518 0.5000 0.1518 ( 2314 PWs) bands (ev): -58.5110 -58.5110 -31.4052 -31.4052 -22.8289 -22.8289 -22.7498 -22.7498 -18.3910 -18.3910 -8.2989 -8.2989 -7.7825 -7.7825 -7.0598 -7.0598 -2.1159 -2.1159 -1.8724 -1.8724 -1.8118 -1.8118 3.4358 3.4358 5.3526 5.3526 5.7540 5.7540 5.7783 5.7783 6.1804 6.1804 6.8898 6.8898 7.6676 7.6676 7.7847 7.7847 7.9621 7.9621 12.3603 12.3603 14.0259 14.0259 14.3244 14.3244 17.1776 17.1776 k = 0.1429 0.5000 0.1429 ( 2308 PWs) bands (ev): -58.5110 -58.5110 -31.4048 -31.4048 -22.8281 -22.8281 -22.7467 -22.7467 -18.3916 -18.3916 -8.3289 -8.3289 -7.8012 -7.8012 -7.0598 -7.0598 -2.1111 -2.1111 -1.8675 -1.8675 -1.8088 -1.8088 3.4362 3.4362 5.4056 5.4056 5.8062 5.8062 5.8289 5.8289 6.2505 6.2505 6.9886 6.9886 7.6127 7.6127 7.7798 7.7798 7.9140 7.9140 12.2600 12.2600 14.0025 14.0025 14.2985 14.2985 17.0476 17.0476 k = 0.1339 0.5000 0.1339 ( 2308 PWs) bands (ev): -58.5110 -58.5110 -31.4043 -31.4043 -22.8274 -22.8274 -22.7437 -22.7437 -18.3922 -18.3922 -8.3574 -8.3574 -7.8189 -7.8189 -7.0595 -7.0595 -2.1068 -2.1068 -1.8634 -1.8634 -1.8058 -1.8058 3.4366 3.4366 5.4608 5.4608 5.8512 5.8512 5.8844 5.8844 6.3163 6.3163 7.0859 7.0859 7.5566 7.5566 7.7794 7.7794 7.8654 7.8654 12.1615 12.1615 13.9808 13.9808 14.2742 14.2742 16.9216 16.9216 k = 0.1250 0.5000 0.1250 ( 2308 PWs) bands (ev): -58.5110 -58.5110 -31.4039 -31.4039 -22.8267 -22.8267 -22.7408 -22.7408 -18.3928 -18.3928 -8.3845 -8.3845 -7.8357 -7.8357 -7.0591 -7.0591 -2.1030 -2.1030 -1.8601 -1.8601 -1.8028 -1.8028 3.4371 3.4371 5.5179 5.5179 5.8943 5.8943 5.9390 5.9390 6.3773 6.3773 7.1809 7.1809 7.4996 7.4996 7.7835 7.7835 7.8165 7.8165 12.0652 12.0652 13.9605 13.9605 14.2516 14.2516 16.8000 16.8000 k = 0.1161 0.5000 0.1161 ( 2320 PWs) bands (ev): -58.5111 -58.5111 -31.4036 -31.4036 -22.8260 -22.8260 -22.7382 -22.7382 -18.3933 -18.3933 -8.4100 -8.4100 -7.8515 -7.8515 -7.0586 -7.0586 -2.0996 -2.0996 -1.8577 -1.8577 -1.7996 -1.7996 3.4376 3.4376 5.5768 5.5768 5.9370 5.9370 5.9911 5.9911 6.4335 6.4335 7.2721 7.2721 7.4427 7.4427 7.7676 7.7676 7.7921 7.7921 11.9714 11.9714 13.9418 13.9418 14.2307 14.2307 16.6835 16.6835 k = 0.1071 0.5000 0.1071 ( 2316 PWs) bands (ev): -58.5111 -58.5111 -31.4032 -31.4032 -22.8253 -22.8253 -22.7356 -22.7356 -18.3938 -18.3938 -8.4339 -8.4339 -7.8662 -7.8662 -7.0579 -7.0579 -2.0967 -2.0967 -1.8558 -1.8558 -1.7964 -1.7964 3.4381 3.4381 5.6373 5.6373 5.9794 5.9794 6.0401 6.0401 6.4847 6.4847 7.3457 7.3457 7.3989 7.3989 7.7190 7.7190 7.8049 7.8049 11.8808 11.8808 13.9246 13.9246 14.2115 14.2115 16.5727 16.5727 k = 0.0982 0.5000 0.0982 ( 2316 PWs) bands (ev): -58.5111 -58.5111 -31.4029 -31.4029 -22.8247 -22.8247 -22.7332 -22.7332 -18.3943 -18.3943 -8.4561 -8.4561 -7.8798 -7.8798 -7.0572 -7.0572 -2.0943 -2.0943 -1.8546 -1.8546 -1.7931 -1.7931 3.4386 3.4386 5.6992 5.6992 6.0215 6.0215 6.0855 6.0855 6.5310 6.5310 7.3133 7.3133 7.4561 7.4561 7.6710 7.6710 7.8218 7.8218 11.7937 11.7937 13.9089 13.9089 14.1940 14.1940 16.4681 16.4681 k = 0.0893 0.5000 0.0893 ( 2324 PWs) bands (ev): -58.5111 -58.5111 -31.4026 -31.4026 -22.8242 -22.8242 -22.7311 -22.7311 -18.3947 -18.3947 -8.4765 -8.4765 -7.8924 -7.8924 -7.0564 -7.0564 -2.0922 -2.0922 -1.8538 -1.8538 -1.7899 -1.7899 3.4390 3.4390 5.7621 5.7621 6.0628 6.0628 6.1273 6.1273 6.5722 6.5722 7.2542 7.2542 7.5338 7.5338 7.6241 7.6241 7.8424 7.8424 11.7107 11.7107 13.8947 13.8947 14.1780 14.1780 16.3702 16.3702 k = 0.0804 0.5000 0.0804 ( 2324 PWs) bands (ev): -58.5112 -58.5112 -31.4023 -31.4023 -22.8237 -22.8237 -22.7291 -22.7291 -18.3951 -18.3951 -8.4952 -8.4952 -7.9038 -7.9038 -7.0556 -7.0556 -2.0906 -2.0906 -1.8533 -1.8533 -1.7868 -1.7868 3.4395 3.4395 5.8258 5.8258 6.1032 6.1032 6.1653 6.1653 6.6088 6.6088 7.1929 7.1929 7.5762 7.5762 7.6094 7.6094 7.8663 7.8663 11.6326 11.6326 13.8820 13.8820 14.1637 14.1637 16.2798 16.2798 k = 0.0714 0.5000 0.0714 ( 2316 PWs) bands (ev): -58.5111 -58.5111 -31.4020 -31.4020 -22.8232 -22.8232 -22.7272 -22.7272 -18.3954 -18.3954 -8.5120 -8.5120 -7.9141 -7.9141 -7.0549 -7.0549 -2.0892 -2.0892 -1.8530 -1.8530 -1.7838 -1.7838 3.4399 3.4399 5.8898 5.8898 6.1420 6.1420 6.1994 6.1994 6.6408 6.6408 7.1310 7.1310 7.5332 7.5332 7.6751 7.6751 7.8930 7.8930 11.5599 11.5599 13.8707 13.8707 14.1510 14.1510 16.1972 16.1972 k = 0.0625 0.5000 0.0625 ( 2320 PWs) bands (ev): -58.5112 -58.5112 -31.4018 -31.4018 -22.8228 -22.8228 -22.7256 -22.7256 -18.3957 -18.3957 -8.5269 -8.5269 -7.9232 -7.9232 -7.0541 -7.0541 -2.0882 -2.0882 -1.8529 -1.8529 -1.7811 -1.7811 3.4403 3.4403 5.9536 5.9536 6.1788 6.1788 6.2298 6.2298 6.6686 6.6686 7.0690 7.0690 7.4915 7.4915 7.7337 7.7337 7.9220 7.9220 11.4933 11.4933 13.8608 13.8608 14.1398 14.1398 16.1229 16.1229 k = 0.0536 0.5000 0.0536 ( 2328 PWs) bands (ev): -58.5112 -58.5112 -31.4017 -31.4017 -22.8225 -22.8225 -22.7242 -22.7242 -18.3960 -18.3960 -8.5399 -8.5399 -7.9311 -7.9311 -7.0534 -7.0534 -2.0875 -2.0875 -1.8529 -1.8529 -1.7788 -1.7788 3.4406 3.4406 6.0165 6.0165 6.2125 6.2125 6.2567 6.2567 6.6923 6.6923 7.0076 7.0076 7.4527 7.4527 7.7834 7.7834 7.9526 7.9526 11.4335 11.4335 13.8522 13.8522 14.1301 14.1301 16.0574 16.0574 k = 0.0446 0.5000 0.0446 ( 2328 PWs) bands (ev): -58.5112 -58.5112 -31.4015 -31.4015 -22.8222 -22.8222 -22.7230 -22.7230 -18.3962 -18.3962 -8.5510 -8.5510 -7.9379 -7.9379 -7.0528 -7.0528 -2.0869 -2.0869 -1.8530 -1.8530 -1.7767 -1.7767 3.4410 3.4410 6.0775 6.0775 6.2420 6.2420 6.2808 6.2808 6.7122 6.7122 6.9476 6.9476 7.4177 7.4177 7.8240 7.8240 7.9832 7.9832 11.3813 11.3813 13.8451 13.8451 14.1219 14.1219 16.0012 16.0012 k = 0.0357 0.5000 0.0357 ( 2324 PWs) bands (ev): -58.5112 -58.5112 -31.4013 -31.4013 -22.8219 -22.8219 -22.7220 -22.7220 -18.3964 -18.3964 -8.5601 -8.5601 -7.9434 -7.9434 -7.0523 -7.0523 -2.0865 -2.0865 -1.8531 -1.8531 -1.7749 -1.7749 3.4412 3.4412 6.1350 6.1350 6.2657 6.2657 6.3030 6.3030 6.7283 6.7283 6.8905 6.8905 7.3873 7.3873 7.8557 7.8557 8.0121 8.0121 11.3374 11.3374 13.8393 13.8393 14.1153 14.1153 15.9547 15.9547 k = 0.0268 0.5000 0.0268 ( 2324 PWs) bands (ev): -58.5112 -58.5112 -31.4012 -31.4012 -22.8217 -22.8217 -22.7212 -22.7212 -18.3966 -18.3966 -8.5672 -8.5672 -7.9477 -7.9477 -7.0518 -7.0518 -2.0862 -2.0862 -1.8532 -1.8532 -1.7735 -1.7735 3.4414 3.4414 6.1869 6.1869 6.2824 6.2824 6.3238 6.3238 6.7408 6.7408 6.8383 6.8383 7.3624 7.3624 7.8795 7.8795 8.0371 8.0371 11.3025 11.3025 13.8348 13.8348 14.1101 14.1101 15.9182 15.9182 k = 0.0179 0.5000 0.0179 ( 2328 PWs) bands (ev): -58.5112 -58.5112 -31.4011 -31.4011 -22.8216 -22.8216 -22.7207 -22.7207 -18.3967 -18.3967 -8.5722 -8.5722 -7.9508 -7.9508 -7.0515 -7.0515 -2.0861 -2.0861 -1.8532 -1.8532 -1.7726 -1.7726 3.4416 3.4416 6.2300 6.2300 6.2919 6.2919 6.3422 6.3422 6.7498 6.7498 6.7945 6.7945 7.3438 7.3438 7.8959 7.8959 8.0563 8.0563 11.2770 11.2770 13.8315 13.8315 14.1064 14.1064 15.8919 15.8919 k = 0.0089 0.5000 0.0089 ( 2348 PWs) bands (ev): -58.5113 -58.5113 -31.4012 -31.4012 -22.8216 -22.8216 -22.7204 -22.7204 -18.3968 -18.3968 -8.5753 -8.5753 -7.9527 -7.9527 -7.0513 -7.0513 -2.0860 -2.0860 -1.8533 -1.8533 -1.7720 -1.7720 3.4416 3.4416 6.2607 6.2607 6.2945 6.2945 6.3559 6.3559 6.7551 6.7551 6.7642 6.7642 7.3322 7.3322 7.9056 7.9056 8.0683 8.0683 11.2616 11.2616 13.8295 13.8295 14.1041 14.1041 15.8759 15.8759 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -58.5113 -58.5113 -31.4012 -31.4012 -22.8216 -22.8216 -22.7204 -22.7204 -18.3968 -18.3968 -8.5763 -8.5763 -7.9533 -7.9533 -7.0513 -7.0513 -2.0860 -2.0860 -1.8534 -1.8534 -1.7718 -1.7718 3.4417 3.4417 6.2735 6.2735 6.2930 6.2930 6.3611 6.3611 6.7532 6.7532 6.7568 6.7568 7.3283 7.3283 7.9088 7.9088 8.0724 8.0724 11.2563 11.2563 13.8289 13.8289 14.1034 14.1034 15.8705 15.8705 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -58.5106 -58.5106 -31.4109 -31.4109 -22.8633 -22.8633 -22.7648 -22.7648 -18.3834 -18.3834 -8.2086 -8.2086 -7.2819 -7.2819 -6.9440 -6.9440 -2.1191 -2.1191 -1.8923 -1.8923 -1.8123 -1.8123 3.3739 3.3739 3.4740 3.4740 4.3188 4.3188 6.0165 6.0165 6.0651 6.0651 7.1611 7.1611 7.4328 7.4328 7.4453 7.4453 8.8327 8.8327 13.8540 13.8540 14.1107 14.1107 15.3437 15.3437 16.7226 16.7226 k = 0.5000 0.5000 0.0125 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4110 -31.4110 -22.8634 -22.8634 -22.7650 -22.7650 -18.3834 -18.3834 -8.2071 -8.2071 -7.2817 -7.2817 -6.9439 -6.9439 -2.1196 -2.1196 -1.8928 -1.8928 -1.8129 -1.8129 3.3739 3.3739 3.4740 3.4740 4.3199 4.3199 6.0129 6.0129 6.0616 6.0616 7.1554 7.1554 7.4353 7.4353 7.4494 7.4494 8.8327 8.8327 13.8554 13.8554 14.1120 14.1120 15.3440 15.3440 16.7304 16.7304 k = 0.5000 0.5000 0.0250 ( 2328 PWs) bands (ev): -58.5106 -58.5106 -31.4111 -31.4111 -22.8634 -22.8634 -22.7655 -22.7655 -18.3833 -18.3833 -8.2026 -8.2026 -7.2811 -7.2811 -6.9435 -6.9435 -2.1209 -2.1209 -1.8941 -1.8941 -1.8147 -1.8147 3.3741 3.3741 3.4741 3.4741 4.3230 4.3230 6.0024 6.0024 6.0511 6.0511 7.1376 7.1376 7.4435 7.4435 7.4618 7.4618 8.8329 8.8329 13.8600 13.8600 14.1164 14.1164 15.3448 15.3448 16.7536 16.7536 k = 0.5000 0.5000 0.0375 ( 2328 PWs) bands (ev): -58.5106 -58.5106 -31.4111 -31.4111 -22.8633 -22.8633 -22.7662 -22.7662 -18.3832 -18.3832 -8.1952 -8.1952 -7.2801 -7.2801 -6.9429 -6.9429 -2.1231 -2.1231 -1.8961 -1.8961 -1.8177 -1.8177 3.3744 3.3744 3.4742 3.4742 4.3281 4.3281 5.9854 5.9854 6.0341 6.0341 7.1066 7.1066 7.4584 7.4584 7.4819 7.4819 8.8332 8.8332 13.8676 13.8676 14.1237 14.1237 15.3461 15.3461 16.7918 16.7918 k = 0.5000 0.5000 0.0500 ( 2328 PWs) bands (ev): -58.5106 -58.5106 -31.4112 -31.4112 -22.8633 -22.8633 -22.7672 -22.7672 -18.3830 -18.3830 -8.1848 -8.1848 -7.2786 -7.2786 -6.9420 -6.9420 -2.1261 -2.1261 -1.8990 -1.8990 -1.8217 -1.8217 3.3748 3.3748 3.4744 3.4744 4.3353 4.3353 5.9624 5.9624 6.0112 6.0112 7.0616 7.0616 7.4807 7.4807 7.5091 7.5091 8.8336 8.8336 13.8783 13.8783 14.1340 14.1340 15.3479 15.3479 16.8443 16.8443 k = 0.5000 0.5000 0.0625 ( 2320 PWs) bands (ev): -58.5106 -58.5106 -31.4113 -31.4113 -22.8632 -22.8632 -22.7684 -22.7684 -18.3828 -18.3828 -8.1714 -8.1714 -7.2768 -7.2768 -6.9409 -6.9409 -2.1299 -2.1299 -1.9027 -1.9027 -1.8269 -1.8269 3.3754 3.3754 3.4746 3.4746 4.3444 4.3444 5.9344 5.9344 5.9832 5.9832 7.0025 7.0025 7.5103 7.5103 7.5426 7.5426 8.8341 8.8341 13.8919 13.8919 14.1471 14.1471 15.3503 15.3503 16.9100 16.9100 k = 0.5000 0.5000 0.0750 ( 2316 PWs) bands (ev): -58.5106 -58.5106 -31.4115 -31.4115 -22.8631 -22.8631 -22.7699 -22.7699 -18.3825 -18.3825 -8.1553 -8.1553 -7.2745 -7.2745 -6.9395 -6.9395 -2.1346 -2.1346 -1.9072 -1.9072 -1.8331 -1.8331 3.3760 3.3760 3.4749 3.4749 4.3554 4.3554 5.9020 5.9020 5.9509 5.9509 6.9301 6.9301 7.5464 7.5464 7.5815 7.5815 8.8348 8.8348 13.9085 13.9085 14.1632 14.1632 15.3531 15.3531 16.9875 16.9875 k = 0.5000 0.5000 0.0875 ( 2316 PWs) bands (ev): -58.5106 -58.5106 -31.4117 -31.4117 -22.8630 -22.8630 -22.7718 -22.7718 -18.3822 -18.3822 -8.1365 -8.1365 -7.2718 -7.2718 -6.9379 -6.9379 -2.1400 -2.1400 -1.9123 -1.9123 -1.8404 -1.8404 3.3768 3.3768 3.4752 3.4752 4.3682 4.3682 5.8662 5.8662 5.9152 5.9152 6.8455 6.8455 7.5879 7.5879 7.6250 7.6250 8.8356 8.8356 13.9281 13.9281 14.1820 14.1820 15.3565 15.3565 17.0754 17.0754 k = 0.5000 0.5000 0.1000 ( 2332 PWs) bands (ev): -58.5106 -58.5106 -31.4119 -31.4119 -22.8629 -22.8629 -22.7739 -22.7739 -18.3819 -18.3819 -8.1150 -8.1150 -7.2686 -7.2686 -6.9361 -6.9361 -2.1462 -2.1462 -1.9183 -1.9183 -1.8486 -1.8486 3.3777 3.3777 3.4756 3.4756 4.3827 4.3827 5.8275 5.8275 5.8766 5.8766 6.7498 6.7498 7.6340 7.6340 7.6722 7.6722 8.8364 8.8364 13.9503 13.9503 14.2036 14.2036 15.3603 15.3603 17.1716 17.1716 k = 0.5000 0.5000 0.1125 ( 2324 PWs) bands (ev): -58.5106 -58.5106 -31.4122 -31.4122 -22.8627 -22.8627 -22.7762 -22.7762 -18.3815 -18.3815 -8.0910 -8.0910 -7.2650 -7.2650 -6.9340 -6.9340 -2.1531 -2.1531 -1.9248 -1.9248 -1.8578 -1.8578 3.3786 3.3786 3.4760 3.4760 4.3990 4.3990 5.7869 5.7869 5.8360 5.8360 6.6445 6.6445 7.6836 7.6836 7.7224 7.7224 8.8374 8.8374 13.9756 13.9756 14.2282 14.2282 15.3646 15.3646 17.2740 17.2740 k = 0.5000 0.5000 0.1250 ( 2324 PWs) bands (ev): -58.5105 -58.5105 -31.4124 -31.4124 -22.8625 -22.8625 -22.7787 -22.7787 -18.3811 -18.3811 -8.0646 -8.0646 -7.2609 -7.2609 -6.9318 -6.9318 -2.1606 -2.1606 -1.9321 -1.9321 -1.8677 -1.8677 3.3797 3.3797 3.4764 3.4764 4.4167 4.4167 5.7447 5.7447 5.7940 5.7940 6.5306 6.5306 7.7360 7.7360 7.7749 7.7749 8.8385 8.8385 14.0036 14.0036 14.2554 14.2554 15.3694 15.3694 17.3798 17.3798 k = 0.5000 0.5000 0.1375 ( 2324 PWs) bands (ev): -58.5105 -58.5105 -31.4127 -31.4127 -22.8624 -22.8624 -22.7814 -22.7814 -18.3806 -18.3806 -8.0359 -8.0359 -7.2564 -7.2564 -6.9294 -6.9294 -2.1688 -2.1688 -1.9399 -1.9399 -1.8784 -1.8784 3.3809 3.3809 3.4769 3.4769 4.4358 4.4358 5.7014 5.7014 5.7510 5.7510 6.4096 6.4096 7.7905 7.7905 7.8292 7.8292 8.8396 8.8396 14.0343 14.0343 14.2854 14.2854 15.3746 15.3746 17.4860 17.4860 k = 0.5000 0.5000 0.1500 ( 2324 PWs) bands (ev): -58.5105 -58.5105 -31.4130 -31.4130 -22.8622 -22.8622 -22.7843 -22.7843 -18.3801 -18.3801 -8.0052 -8.0052 -7.2513 -7.2513 -6.9268 -6.9268 -2.1775 -2.1775 -1.9482 -1.9482 -1.8898 -1.8898 3.3821 3.3821 3.4774 3.4774 4.4562 4.4562 5.6575 5.6575 5.7075 5.7075 6.2825 6.2825 7.8464 7.8464 7.8847 7.8847 8.8408 8.8408 14.0677 14.0677 14.3179 14.3179 15.3802 15.3802 17.5890 17.5890 k = 0.5000 0.5000 0.1625 ( 2332 PWs) bands (ev): -58.5105 -58.5105 -31.4134 -31.4134 -22.8620 -22.8620 -22.7874 -22.7874 -18.3796 -18.3796 -7.9727 -7.9727 -7.2457 -7.2457 -6.9240 -6.9240 -2.1868 -2.1868 -1.9571 -1.9571 -1.9018 -1.9018 3.3834 3.3834 3.4779 3.4779 4.4778 4.4778 5.6132 5.6132 5.6638 5.6638 6.1505 6.1505 7.9033 7.9033 7.9409 7.9409 8.8421 8.8421 14.1035 14.1035 14.3530 14.3530 15.3862 15.3862 17.6850 17.6850 k = 0.5000 0.5000 0.1750 ( 2332 PWs) bands (ev): -58.5105 -58.5105 -31.4137 -31.4137 -22.8618 -22.8618 -22.7906 -22.7906 -18.3791 -18.3791 -7.9385 -7.9385 -7.2396 -7.2396 -6.9211 -6.9211 -2.1965 -2.1965 -1.9663 -1.9663 -1.9143 -1.9143 3.3848 3.3848 3.4785 3.4785 4.5004 4.5004 5.5685 5.5685 5.6203 5.6203 6.0151 6.0151 7.9607 7.9607 7.9974 7.9974 8.8435 8.8435 14.1420 14.1420 14.3905 14.3905 15.3927 15.3927 17.7704 17.7704 k = 0.5000 0.5000 0.1875 ( 2324 PWs) bands (ev): -58.5104 -58.5104 -31.4140 -31.4140 -22.8616 -22.8616 -22.7938 -22.7938 -18.3785 -18.3785 -7.9029 -7.9029 -7.2328 -7.2328 -6.9181 -6.9181 -2.2066 -2.2066 -1.9760 -1.9760 -1.9272 -1.9272 3.3862 3.3862 3.4791 3.4791 4.5239 4.5239 5.5233 5.5233 5.5773 5.5773 5.8775 5.8775 8.0181 8.0181 8.0539 8.0539 8.8449 8.8449 14.1830 14.1830 14.4304 14.4304 15.3996 15.3996 17.8421 17.8421 k = 0.5000 0.5000 0.2000 ( 2332 PWs) bands (ev): -58.5104 -58.5104 -31.4144 -31.4144 -22.8613 -22.8613 -22.7973 -22.7973 -18.3779 -18.3779 -7.8662 -7.8662 -7.2253 -7.2253 -6.9150 -6.9150 -2.2171 -2.2171 -1.9860 -1.9860 -1.9405 -1.9405 3.3876 3.3876 3.4797 3.4797 4.5480 4.5480 5.4767 5.4767 5.5349 5.5349 5.7399 5.7399 8.0753 8.0753 8.1100 8.1100 8.8464 8.8464 14.2263 14.2263 14.4723 14.4723 15.4069 15.4069 17.8984 17.8984 k = 0.5000 0.5000 0.2125 ( 2316 PWs) bands (ev): -58.5104 -58.5104 -31.4147 -31.4147 -22.8610 -22.8610 -22.8008 -22.8008 -18.3773 -18.3773 -7.8286 -7.8286 -7.2170 -7.2170 -6.9117 -6.9117 -2.2278 -2.2278 -1.9962 -1.9962 -1.9540 -1.9540 3.3891 3.3891 3.4803 3.4803 4.5728 4.5728 5.4255 5.4255 5.4934 5.4934 5.6066 5.6066 8.1319 8.1319 8.1655 8.1655 8.8479 8.8479 14.2719 14.2719 14.5164 14.5164 15.4148 15.4148 17.9394 17.9394 k = 0.5000 0.5000 0.2250 ( 2324 PWs) bands (ev): -58.5104 -58.5104 -31.4151 -31.4151 -22.8608 -22.8608 -22.8044 -22.8044 -18.3767 -18.3767 -7.7905 -7.7905 -7.2079 -7.2079 -6.9085 -6.9085 -2.2387 -2.2387 -2.0066 -2.0066 -1.9678 -1.9678 3.3906 3.3906 3.4809 3.4809 4.5979 4.5979 5.3583 5.3583 5.4530 5.4530 5.4899 5.4899 8.1876 8.1876 8.2200 8.2200 8.8495 8.8495 14.3195 14.3195 14.5622 14.5622 15.4230 15.4230 17.9663 17.9663 k = 0.5000 0.5000 0.2375 ( 2324 PWs) bands (ev): -58.5103 -58.5103 -31.4155 -31.4155 -22.8606 -22.8606 -22.8080 -22.8080 -18.3761 -18.3761 -7.7522 -7.7522 -7.1978 -7.1978 -6.9051 -6.9051 -2.2498 -2.2498 -2.0172 -2.0172 -1.9815 -1.9815 3.3921 3.3921 3.4815 3.4815 4.6233 4.6233 5.2560 5.2560 5.4100 5.4100 5.4138 5.4138 8.2422 8.2422 8.2733 8.2733 8.8510 8.8510 14.3691 14.3691 14.6097 14.6097 15.4317 15.4317 17.9813 17.9813 k = 0.5000 0.5000 0.2500 ( 2324 PWs) bands (ev): -58.5103 -58.5103 -31.4159 -31.4159 -22.8604 -22.8604 -22.8117 -22.8117 -18.3755 -18.3755 -7.7142 -7.7142 -7.1867 -7.1867 -6.9017 -6.9017 -2.2610 -2.2610 -2.0278 -2.0278 -1.9953 -1.9953 3.3936 3.3936 3.4821 3.4821 4.6488 4.6488 5.1288 5.1288 5.3573 5.3573 5.3758 5.3758 8.2954 8.2954 8.3253 8.3253 8.8526 8.8526 14.4205 14.4205 14.6584 14.6584 15.4409 15.4409 17.9867 17.9867 k = 0.5000 0.5000 0.2625 ( 2324 PWs) bands (ev): -58.5103 -58.5103 -31.4163 -31.4163 -22.8601 -22.8601 -22.8153 -22.8153 -18.3748 -18.3748 -7.6769 -7.6769 -7.1743 -7.1743 -6.8983 -6.8983 -2.2721 -2.2721 -2.0384 -2.0384 -2.0089 -2.0089 3.3951 3.3951 3.4827 3.4827 4.6743 4.6743 4.9948 4.9948 5.3149 5.3149 5.3393 5.3393 8.3470 8.3470 8.3756 8.3756 8.8542 8.8542 14.4735 14.4735 14.7082 14.7082 15.4507 15.4507 17.9846 17.9846 k = 0.5000 0.5000 0.2750 ( 2316 PWs) bands (ev): -58.5103 -58.5103 -31.4167 -31.4167 -22.8599 -22.8599 -22.8188 -22.8188 -18.3742 -18.3742 -7.6406 -7.6406 -7.1606 -7.1606 -6.8950 -6.8950 -2.2832 -2.2832 -2.0490 -2.0490 -2.0224 -2.0224 3.3966 3.3966 3.4833 3.4833 4.6995 4.6995 4.8602 4.8602 5.2771 5.2771 5.3043 5.3043 8.3969 8.3969 8.4242 8.4242 8.8558 8.8558 14.5279 14.5279 14.7587 14.7587 15.4612 15.4612 17.9768 17.9768 k = 0.5000 0.5000 0.2875 ( 2316 PWs) bands (ev): -58.5102 -58.5102 -31.4170 -31.4170 -22.8597 -22.8597 -22.8224 -22.8224 -18.3736 -18.3736 -7.6058 -7.6058 -7.1455 -7.1455 -6.8916 -6.8916 -2.2942 -2.2942 -2.0594 -2.0594 -2.0356 -2.0356 3.3980 3.3980 3.4839 3.4839 4.7243 4.7243 4.7275 4.7275 5.2423 5.2423 5.2709 5.2709 8.4449 8.4449 8.4709 8.4709 8.8574 8.8574 14.5835 14.5835 14.8094 14.8094 15.4725 15.4725 17.9648 17.9648 k = 0.5000 0.5000 0.3000 ( 2308 PWs) bands (ev): -58.5102 -58.5102 -31.4174 -31.4174 -22.8594 -22.8594 -22.8258 -22.8258 -18.3730 -18.3730 -7.5729 -7.5729 -7.1287 -7.1287 -6.8883 -6.8883 -2.3049 -2.3049 -2.0696 -2.0696 -2.0485 -2.0485 3.3993 3.3993 3.4845 3.4845 4.5981 4.5981 4.7487 4.7487 5.2097 5.2097 5.2392 5.2392 8.4908 8.4908 8.5155 8.5155 8.8589 8.8589 14.6398 14.6398 14.8599 14.8599 15.4847 15.4847 17.9497 17.9497 k = 0.5000 0.5000 0.3125 ( 2316 PWs) bands (ev): -58.5102 -58.5102 -31.4178 -31.4178 -22.8592 -22.8592 -22.8292 -22.8292 -18.3724 -18.3724 -7.5423 -7.5423 -7.1104 -7.1104 -6.8851 -6.8851 -2.3154 -2.3154 -2.0796 -2.0796 -2.0611 -2.0611 3.4005 3.4005 3.4851 3.4851 4.4728 4.4728 4.7723 4.7723 5.1793 5.1793 5.2092 5.2092 8.5345 8.5345 8.5579 8.5579 8.8604 8.8604 14.6966 14.6966 14.9096 14.9096 15.4980 15.4980 17.9324 17.9324 k = 0.5000 0.5000 0.3250 ( 2316 PWs) bands (ev): -58.5102 -58.5102 -31.4181 -31.4181 -22.8590 -22.8590 -22.8325 -22.8325 -18.3718 -18.3718 -7.5142 -7.5142 -7.0906 -7.0906 -6.8820 -6.8820 -2.3255 -2.3255 -2.0893 -2.0893 -2.0731 -2.0731 3.4016 3.4016 3.4856 3.4856 4.3523 4.3523 4.7951 4.7951 5.1508 5.1508 5.1809 5.1809 8.5758 8.5758 8.5980 8.5980 8.8619 8.8619 14.7537 14.7537 14.9581 14.9581 15.5127 15.5127 17.9135 17.9135 k = 0.5000 0.5000 0.3375 ( 2324 PWs) bands (ev): -58.5102 -58.5102 -31.4185 -31.4185 -22.8588 -22.8588 -22.8357 -22.8357 -18.3713 -18.3713 -7.4888 -7.4888 -7.0694 -7.0694 -6.8789 -6.8789 -2.3353 -2.3353 -2.0986 -2.0986 -2.0847 -2.0847 3.4025 3.4025 3.4862 3.4862 4.2374 4.2374 4.8170 4.8170 5.1243 5.1243 5.1545 5.1545 8.6147 8.6147 8.6357 8.6357 8.8633 8.8633 14.8105 14.8105 15.0047 15.0047 15.5288 15.5288 17.8933 17.8933 k = 0.5000 0.5000 0.3500 ( 2316 PWs) bands (ev): -58.5101 -58.5101 -31.4188 -31.4188 -22.8585 -22.8585 -22.8387 -22.8387 -18.3708 -18.3708 -7.4662 -7.4662 -7.0471 -7.0471 -6.8760 -6.8760 -2.3446 -2.3446 -2.1074 -2.1074 -2.0956 -2.0956 3.4033 3.4033 3.4867 3.4867 4.1287 4.1287 4.8377 4.8377 5.0997 5.0997 5.1300 5.1300 8.6510 8.6510 8.6709 8.6709 8.8647 8.8647 14.8667 14.8667 15.0488 15.0488 15.5467 15.5467 17.8723 17.8723 k = 0.5000 0.5000 0.3625 ( 2316 PWs) bands (ev): -58.5101 -58.5101 -31.4191 -31.4191 -22.8584 -22.8584 -22.8415 -22.8415 -18.3703 -18.3703 -7.4463 -7.4463 -7.0241 -7.0241 -6.8733 -6.8733 -2.3534 -2.3534 -2.1158 -2.1158 -2.1058 -2.1058 3.4038 3.4038 3.4872 3.4872 4.0267 4.0267 4.8573 4.8573 5.0771 5.0771 5.1074 5.1074 8.6846 8.6846 8.7036 8.7036 8.8660 8.8660 14.9218 14.9218 15.0896 15.0896 15.5664 15.5664 17.8505 17.8505 k = 0.5000 0.5000 0.3750 ( 2316 PWs) bands (ev): -58.5101 -58.5101 -31.4194 -31.4194 -22.8582 -22.8582 -22.8441 -22.8441 -18.3698 -18.3698 -7.4290 -7.4290 -7.0008 -7.0008 -6.8708 -6.8708 -2.3616 -2.3616 -2.1236 -2.1236 -2.1154 -2.1154 3.4040 3.4040 3.4876 3.4876 3.9320 3.9320 4.8754 4.8754 5.0563 5.0563 5.0868 5.0868 8.7156 8.7156 8.7336 8.7336 8.8672 8.8672 14.9752 14.9752 15.1267 15.1267 15.5878 15.5878 17.8279 17.8279 k = 0.5000 0.5000 0.3875 ( 2320 PWs) bands (ev): -58.5101 -58.5101 -31.4196 -31.4196 -22.8580 -22.8580 -22.8465 -22.8465 -18.3694 -18.3694 -7.4142 -7.4142 -6.9778 -6.9778 -6.8684 -6.8684 -2.3691 -2.3691 -2.1308 -2.1308 -2.1242 -2.1242 3.4039 3.4039 3.4880 3.4880 3.8451 3.8451 4.8921 4.8921 5.0376 5.0376 5.0681 5.0681 8.7437 8.7437 8.7609 8.7609 8.8684 8.8684 15.0263 15.0263 15.1596 15.1596 15.6107 15.6107 17.8043 17.8043 k = 0.5000 0.5000 0.4000 ( 2312 PWs) bands (ev): -58.5100 -58.5100 -31.4198 -31.4198 -22.8579 -22.8579 -22.8487 -22.8487 -18.3690 -18.3690 -7.4015 -7.4015 -6.9556 -6.9556 -6.8662 -6.8662 -2.3760 -2.3760 -2.1374 -2.1374 -2.1322 -2.1322 3.4032 3.4032 3.4884 3.4884 3.7667 3.7667 4.9071 4.9071 5.0208 5.0208 5.0516 5.0516 8.7689 8.7689 8.7854 8.7854 8.8695 8.8695 15.0748 15.0748 15.1884 15.1884 15.6349 15.6349 17.7797 17.7797 k = 0.5000 0.5000 0.4125 ( 2308 PWs) bands (ev): -58.5100 -58.5100 -31.4200 -31.4200 -22.8578 -22.8578 -22.8506 -22.8506 -18.3686 -18.3686 -7.3909 -7.3909 -6.9347 -6.9347 -6.8643 -6.8643 -2.3822 -2.3822 -2.1433 -2.1433 -2.1393 -2.1393 3.4018 3.4018 3.4887 3.4887 3.6973 3.6973 4.9204 4.9204 5.0059 5.0059 5.0371 5.0371 8.7913 8.7913 8.8072 8.8072 8.8706 8.8706 15.1197 15.1197 15.2128 15.2128 15.6594 15.6594 17.7542 17.7542 k = 0.5000 0.5000 0.4250 ( 2308 PWs) bands (ev): -58.5100 -58.5100 -31.4202 -31.4202 -22.8576 -22.8576 -22.8524 -22.8524 -18.3683 -18.3683 -7.3820 -7.3820 -6.9156 -6.9156 -6.8625 -6.8625 -2.3877 -2.3877 -2.1485 -2.1485 -2.1456 -2.1456 3.3994 3.3994 3.4890 3.4890 3.6376 3.6376 4.9317 4.9317 4.9930 4.9930 5.0249 5.0249 8.8105 8.8105 8.8261 8.8261 8.8717 8.8717 15.1605 15.1605 15.2330 15.2330 15.6836 15.6836 17.7285 17.7285 k = 0.5000 0.5000 0.4375 ( 2308 PWs) bands (ev): -58.5100 -58.5100 -31.4204 -31.4204 -22.8576 -22.8576 -22.8539 -22.8539 -18.3681 -18.3681 -7.3748 -7.3748 -6.8987 -6.8987 -6.8611 -6.8611 -2.3924 -2.3924 -2.1530 -2.1530 -2.1509 -2.1509 3.3958 3.3958 3.4892 3.4892 3.5880 3.5880 4.9410 4.9410 4.9821 4.9821 5.0150 5.0150 8.8267 8.8267 8.8422 8.8422 8.8728 8.8728 15.1964 15.1964 15.2494 15.2494 15.7064 15.7064 17.7036 17.7036 k = 0.5000 0.5000 0.4500 ( 2316 PWs) bands (ev): -58.5100 -58.5100 -31.4206 -31.4206 -22.8575 -22.8575 -22.8551 -22.8551 -18.3679 -18.3679 -7.3691 -7.3691 -6.8843 -6.8843 -6.8599 -6.8599 -2.3962 -2.3962 -2.1567 -2.1567 -2.1554 -2.1554 3.3907 3.3907 3.4894 3.4894 3.5492 3.5492 4.9480 4.9480 4.9731 4.9731 5.0075 5.0075 8.8397 8.8397 8.8554 8.8554 8.8740 8.8740 15.2269 15.2269 15.2623 15.2623 15.7267 15.7267 17.6808 17.6808 k = 0.5000 0.5000 0.4625 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4207 -31.4207 -22.8574 -22.8574 -22.8561 -22.8561 -18.3677 -18.3677 -7.3648 -7.3648 -6.8728 -6.8728 -6.8589 -6.8589 -2.3993 -2.3993 -2.1596 -2.1596 -2.1588 -2.1588 3.3844 3.3844 3.4896 3.4896 3.5211 3.5211 4.9528 4.9528 4.9662 4.9662 5.0024 5.0024 8.8493 8.8493 8.8656 8.8656 8.8754 8.8754 15.2513 15.2513 15.2719 15.2719 15.7437 15.7437 17.6616 17.6616 k = 0.5000 0.5000 0.4750 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4207 -31.4207 -22.8574 -22.8574 -22.8568 -22.8568 -18.3676 -18.3676 -7.3618 -7.3618 -6.8645 -6.8645 -6.8582 -6.8582 -2.4015 -2.4015 -2.1617 -2.1617 -2.1613 -2.1613 3.3779 3.3779 3.4897 3.4897 3.5029 3.5029 4.9556 4.9556 4.9612 4.9612 4.9995 4.9995 8.8557 8.8557 8.8730 8.8730 8.8770 8.8770 15.2692 15.2692 15.2786 15.2786 15.7565 15.7565 17.6471 17.6471 k = 0.5000 0.5000 0.4875 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4208 -31.4208 -22.8574 -22.8574 -22.8572 -22.8572 -18.3675 -18.3675 -7.3600 -7.3600 -6.8594 -6.8594 -6.8578 -6.8578 -2.4028 -2.4028 -2.1629 -2.1629 -2.1628 -2.1628 3.3730 3.3730 3.4898 3.4898 3.4929 3.4929 4.9569 4.9569 4.9582 4.9582 4.9981 4.9981 8.8591 8.8591 8.8774 8.8774 8.8783 8.8783 15.2801 15.2801 15.2825 15.2825 15.7644 15.7644 17.6380 17.6380 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -58.5100 -58.5100 -31.4208 -31.4208 -22.8574 -22.8574 -22.8574 -22.8574 -18.3675 -18.3675 -7.3594 -7.3594 -6.8577 -6.8577 -6.8577 -6.8577 -2.4032 -2.4032 -2.1633 -2.1633 -2.1633 -2.1633 3.3712 3.3712 3.4898 3.4898 3.4898 3.4898 4.9572 4.9572 4.9572 4.9572 4.9977 4.9977 8.8602 8.8602 8.8788 8.8788 8.8788 8.8788 15.2838 15.2838 15.2838 15.2838 15.7671 15.7671 17.6349 17.6349 Writing output data file KTaO3.save init_run : 0.20s CPU 0.32s WALL ( 1 calls) electrons : 88.52s CPU 90.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 88.51s CPU 90.28s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 307 calls) cegterg : 82.40s CPU 83.79s WALL ( 416 calls) Called by sum_band: Called by *egterg: h_psi : 35.56s CPU 36.55s WALL ( 6609 calls) s_psi : 2.47s CPU 2.45s WALL ( 6609 calls) g_psi : 0.11s CPU 0.11s WALL ( 5886 calls) cdiaghg : 41.22s CPU 41.92s WALL ( 6193 calls) cegterg:over : 3.02s CPU 3.03s WALL ( 5886 calls) cegterg:upda : 1.99s CPU 2.05s WALL ( 5886 calls) cegterg:last : 1.28s CPU 1.29s WALL ( 1030 calls) cdiaghg:chol : 2.01s CPU 2.20s WALL ( 6193 calls) cdiaghg:inve : 1.54s CPU 1.55s WALL ( 6193 calls) cdiaghg:para : 2.25s CPU 2.42s WALL ( 12386 calls) Called by h_psi: h_psi:vloc : 30.10s CPU 30.87s WALL ( 6609 calls) h_psi:vnl : 5.36s CPU 5.59s WALL ( 6609 calls) add_vuspsi : 2.76s CPU 2.86s WALL ( 6609 calls) General routines calbec : 2.60s CPU 2.71s WALL ( 6609 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.94s CPU 28.63s WALL ( 653268 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 614 calls) Parallel routines fft_scatter : 13.93s CPU 14.49s WALL ( 653291 calls) PWSCF : 1m39.68s CPU 1m48.54s WALL This run was terminated on: 19:41: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=