Program PWSCF v.5.1.1 starts on 11Oct2015 at 0:55: 3 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./BaFeO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 17 5 860 375 61 Max 31 18 6 863 390 66 Sum 1449 845 253 41347 18277 3071 bravais-lattice index = 14 lattice parameter (alat) = 7.4833 a.u. unit-cell volume = 419.0657 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 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)= 7.483315 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 Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 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: E 1 3C2 -3C2 2 -2 4 -4 3 -3 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 6C4 7 8 15 16 12 11 8C3 17 19 20 18 24 21 22 23 i 25 3s_h-3s_h 26 -26 28 -28 27 -27 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 6S4 31 32 39 40 36 35 8S6 41 43 44 42 48 45 46 47 -E -1 -6C4 -7 -8 -15 -16 -12 -11 -8C3 -17 -19 -20 -18 -24 -21 -22 -23 -i -25 -6S4 -31 -32 -39 -40 -36 -35 -8S6 -41 -43 -44 -42 -48 -45 -46 -47 Cartesian axes number of k points= 309 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032362 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032362 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032362 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032362 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032362 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032362 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032362 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032362 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032362 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032362 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032362 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032362 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032362 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032362 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032362 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032362 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032362 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032362 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032362 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032362 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032362 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032362 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032362 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032362 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032362 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032362 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032362 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032362 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032362 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032362 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032362 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032362 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032362 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032362 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032362 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032362 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032362 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032362 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032362 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032362 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032362 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032362 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032362 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032362 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032362 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032362 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032362 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032362 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032362 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032362 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032362 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032362 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032362 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032362 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032362 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032362 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032362 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032362 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032362 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032362 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032362 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032362 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032362 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032362 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032362 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032362 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032362 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032362 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032362 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032362 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032362 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032362 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032362 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032362 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032362 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032362 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032362 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032362 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0032362 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0032362 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0032362 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0032362 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0032362 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0032362 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0032362 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0032362 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0032362 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0032362 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0032362 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0032362 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0032362 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0032362 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0032362 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0032362 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0032362 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0032362 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032362 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0032362 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0032362 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0032362 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0032362 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0032362 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0032362 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0032362 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0032362 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0032362 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0032362 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0032362 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0032362 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0032362 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0032362 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0032362 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0032362 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0032362 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0032362 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032362 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0032362 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0032362 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0032362 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0032362 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0032362 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0032362 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0032362 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0032362 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0032362 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0032362 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0032362 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0032362 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0032362 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0032362 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0032362 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0032362 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0032362 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0032362 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 142) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032362 k( 143) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032362 k( 144) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032362 k( 145) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032362 k( 146) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032362 k( 147) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032362 k( 148) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032362 k( 149) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032362 k( 150) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032362 k( 151) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032362 k( 152) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032362 k( 153) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032362 k( 154) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032362 k( 155) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032362 k( 156) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032362 k( 157) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032362 k( 158) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032362 k( 159) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032362 k( 160) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032362 k( 161) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032362 k( 162) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032362 k( 163) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032362 k( 164) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032362 k( 165) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032362 k( 166) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032362 k( 167) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032362 k( 168) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032362 k( 169) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032362 k( 170) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032362 k( 171) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032362 k( 172) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032362 k( 173) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032362 k( 174) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032362 k( 175) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032362 k( 176) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032362 k( 177) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032362 k( 178) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032362 k( 179) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032362 k( 180) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032362 k( 181) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032362 k( 182) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032362 k( 183) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032362 k( 184) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032362 k( 185) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032362 k( 186) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032362 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032362 k( 188) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032362 k( 189) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032362 k( 190) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032362 k( 191) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032362 k( 192) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032362 k( 193) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032362 k( 194) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032362 k( 195) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032362 k( 196) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032362 k( 197) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032362 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032362 k( 199) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032362 k( 200) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032362 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032362 k( 202) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032362 k( 203) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032362 k( 204) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032362 k( 205) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032362 k( 206) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032362 k( 207) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032362 k( 208) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032362 k( 209) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032362 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 212) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032362 k( 213) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032362 k( 214) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032362 k( 215) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032362 k( 216) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0032362 k( 217) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032362 k( 218) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032362 k( 219) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032362 k( 220) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032362 k( 221) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032362 k( 222) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032362 k( 223) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032362 k( 224) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032362 k( 225) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032362 k( 226) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0032362 k( 227) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032362 k( 228) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032362 k( 229) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032362 k( 230) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032362 k( 231) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032362 k( 232) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032362 k( 233) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032362 k( 234) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032362 k( 235) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032362 k( 236) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0032362 k( 237) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032362 k( 238) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032362 k( 239) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032362 k( 240) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032362 k( 241) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032362 k( 242) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032362 k( 243) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0032362 k( 244) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032362 k( 245) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032362 k( 246) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032362 k( 247) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032362 k( 248) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032362 k( 249) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032362 k( 250) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032362 k( 251) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032362 k( 252) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032362 k( 253) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0032362 k( 254) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032362 k( 255) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032362 k( 256) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032362 k( 257) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032362 k( 258) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032362 k( 259) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032362 k( 260) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032362 k( 261) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032362 k( 262) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032362 k( 263) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0032362 k( 264) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032362 k( 265) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032362 k( 266) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032362 k( 267) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032362 k( 268) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032362 k( 294) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032362 k( 295) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032362 k( 296) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032362 k( 297) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032362 k( 298) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032362 k( 299) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032362 k( 300) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032362 k( 301) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032362 k( 302) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032362 k( 303) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032362 k( 304) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032362 k( 305) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032362 k( 306) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032362 k( 307) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032362 k( 308) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032362 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032362 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032362 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032362 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032362 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032362 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032362 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032362 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032362 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032362 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032362 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032362 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032362 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032362 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032362 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032362 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032362 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032362 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032362 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032362 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032362 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032362 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032362 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032362 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032362 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032362 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032362 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032362 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032362 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032362 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032362 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032362 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032362 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032362 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032362 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032362 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032362 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032362 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032362 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032362 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032362 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032362 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032362 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032362 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032362 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032362 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032362 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032362 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032362 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032362 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032362 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032362 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032362 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032362 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032362 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032362 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032362 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032362 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032362 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032362 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032362 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032362 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032362 k( 66) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0032362 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032362 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032362 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032362 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032362 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032362 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032362 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032362 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032362 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032362 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032362 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032362 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032362 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032362 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032362 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032362 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0032362 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0032362 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0032362 k( 87) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0032362 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0032362 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0032362 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0032362 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0032362 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0032362 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0032362 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0032362 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0032362 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0032362 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0032362 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0032362 k( 99) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0032362 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0032362 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0032362 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032362 k( 103) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0032362 k( 104) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0032362 k( 105) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0032362 k( 106) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0032362 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0032362 k( 108) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0032362 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0032362 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0032362 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0032362 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0032362 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0032362 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0032362 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0032362 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0032362 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0032362 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0032362 k( 119) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0032362 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0032362 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032362 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0032362 k( 123) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0032362 k( 124) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0032362 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0032362 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0032362 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0032362 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0032362 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0032362 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0032362 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0032362 k( 132) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0032362 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0032362 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0032362 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0032362 k( 136) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0032362 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0032362 k( 138) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0032362 k( 139) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0032362 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 142) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032362 k( 143) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032362 k( 144) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032362 k( 145) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032362 k( 146) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032362 k( 147) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032362 k( 148) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032362 k( 149) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032362 k( 150) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032362 k( 151) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032362 k( 152) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032362 k( 153) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032362 k( 154) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032362 k( 155) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032362 k( 156) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032362 k( 157) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032362 k( 158) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032362 k( 159) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032362 k( 160) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032362 k( 161) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032362 k( 162) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032362 k( 163) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032362 k( 164) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032362 k( 165) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032362 k( 166) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032362 k( 167) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032362 k( 168) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032362 k( 169) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032362 k( 170) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032362 k( 171) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032362 k( 172) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032362 k( 173) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032362 k( 174) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032362 k( 175) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032362 k( 176) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032362 k( 177) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032362 k( 178) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032362 k( 179) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032362 k( 180) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032362 k( 181) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032362 k( 182) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032362 k( 183) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032362 k( 184) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032362 k( 185) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032362 k( 186) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032362 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032362 k( 188) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032362 k( 189) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032362 k( 190) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032362 k( 191) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032362 k( 192) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032362 k( 193) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032362 k( 194) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032362 k( 195) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032362 k( 196) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032362 k( 197) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032362 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032362 k( 199) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032362 k( 200) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032362 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032362 k( 202) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032362 k( 203) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032362 k( 204) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032362 k( 205) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032362 k( 206) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032362 k( 207) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032362 k( 208) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032362 k( 209) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032362 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 212) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032362 k( 213) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032362 k( 214) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032362 k( 215) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032362 k( 216) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0032362 k( 217) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032362 k( 218) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032362 k( 219) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032362 k( 220) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032362 k( 221) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032362 k( 222) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032362 k( 223) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032362 k( 224) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032362 k( 225) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032362 k( 226) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0032362 k( 227) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032362 k( 228) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032362 k( 229) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032362 k( 230) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032362 k( 231) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032362 k( 232) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032362 k( 233) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032362 k( 234) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032362 k( 235) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032362 k( 236) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0032362 k( 237) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032362 k( 238) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032362 k( 239) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032362 k( 240) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032362 k( 241) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032362 k( 242) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032362 k( 243) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0032362 k( 244) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032362 k( 245) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032362 k( 246) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032362 k( 247) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032362 k( 248) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032362 k( 249) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032362 k( 250) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032362 k( 251) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032362 k( 252) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032362 k( 253) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0032362 k( 254) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032362 k( 255) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032362 k( 256) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032362 k( 257) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032362 k( 258) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032362 k( 259) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032362 k( 260) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032362 k( 261) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032362 k( 262) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032362 k( 263) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0032362 k( 264) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032362 k( 265) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032362 k( 266) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032362 k( 267) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032362 k( 268) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032362 k( 294) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032362 k( 295) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032362 k( 296) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032362 k( 297) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032362 k( 298) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032362 k( 299) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032362 k( 300) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032362 k( 301) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032362 k( 302) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032362 k( 303) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032362 k( 304) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032362 k( 305) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032362 k( 306) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032362 k( 307) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032362 k( 308) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032362 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 Dense grid: 41347 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18277 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 102, 44) NL pseudopotentials 0.09 Mb ( 51, 111) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 862) G-vector shells 0.00 Mb ( 249) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 102, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.15 Mb ( 111, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaFeO3.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.1 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.6 secs Computing kpt #: 3 total cpu time spent up to now is 48.8 secs Computing kpt #: 4 total cpu time spent up to now is 50.4 secs Computing kpt #: 5 total cpu time spent up to now is 51.9 secs Computing kpt #: 6 total cpu time spent up to now is 53.6 secs Computing kpt #: 7 total cpu time spent up to now is 55.1 secs Computing kpt #: 8 total cpu time spent up to now is 56.6 secs Computing kpt #: 9 total cpu time spent up to now is 58.8 secs Computing kpt #: 10 total cpu time spent up to now is 60.3 secs Computing kpt #: 11 total cpu time spent up to now is 61.9 secs Computing kpt #: 12 total cpu time spent up to now is 64.0 secs Computing kpt #: 13 total cpu time spent up to now is 65.5 secs Computing kpt #: 14 total cpu time spent up to now is 69.2 secs Computing kpt #: 15 total cpu time spent up to now is 72.8 secs Computing kpt #: 16 total cpu time spent up to now is 74.6 secs Computing kpt #: 17 total cpu time spent up to now is 76.6 secs Computing kpt #: 18 total cpu time spent up to now is 78.5 secs Computing kpt #: 19 total cpu time spent up to now is 80.1 secs Computing kpt #: 20 total cpu time spent up to now is 81.6 secs Computing kpt #: 21 total cpu time spent up to now is 83.2 secs Computing kpt #: 22 total cpu time spent up to now is 84.6 secs Computing kpt #: 23 total cpu time spent up to now is 86.0 secs Computing kpt #: 24 total cpu time spent up to now is 87.4 secs Computing kpt #: 25 total cpu time spent up to now is 90.4 secs Computing kpt #: 26 total cpu time spent up to now is 93.1 secs Computing kpt #: 27 total cpu time spent up to now is 94.7 secs Computing kpt #: 28 total cpu time spent up to now is 96.1 secs Computing kpt #: 29 total cpu time spent up to now is 97.5 secs Computing kpt #: 30 total cpu time spent up to now is 98.8 secs Computing kpt #: 31 total cpu time spent up to now is 100.3 secs Computing kpt #: 32 total cpu time spent up to now is 101.7 secs Computing kpt #: 33 total cpu time spent up to now is 103.1 secs Computing kpt #: 34 total cpu time spent up to now is 104.3 secs Computing kpt #: 35 total cpu time spent up to now is 105.6 secs Computing kpt #: 36 total cpu time spent up to now is 107.3 secs Computing kpt #: 37 total cpu time spent up to now is 110.6 secs Computing kpt #: 38 total cpu time spent up to now is 112.5 secs Computing kpt #: 39 total cpu time spent up to now is 113.9 secs Computing kpt #: 40 total cpu time spent up to now is 115.1 secs Computing kpt #: 41 total cpu time spent up to now is 116.5 secs Computing kpt #: 42 total cpu time spent up to now is 118.4 secs Computing kpt #: 43 total cpu time spent up to now is 120.4 secs Computing kpt #: 44 total cpu time spent up to now is 122.2 secs Computing kpt #: 45 total cpu time spent up to now is 123.6 secs Computing kpt #: 46 total cpu time spent up to now is 124.9 secs Computing kpt #: 47 total cpu time spent up to now is 126.1 secs Computing kpt #: 48 total cpu time spent up to now is 128.3 secs Computing kpt #: 49 total cpu time spent up to now is 131.3 secs Computing kpt #: 50 total cpu time spent up to now is 132.7 secs Computing kpt #: 51 total cpu time spent up to now is 134.0 secs Computing kpt #: 52 total cpu time spent up to now is 135.3 secs Computing kpt #: 53 total cpu time spent up to now is 136.6 secs Computing kpt #: 54 total cpu time spent up to now is 137.9 secs Computing kpt #: 55 total cpu time spent up to now is 139.3 secs Computing kpt #: 56 total cpu time spent up to now is 140.5 secs Computing kpt #: 57 total cpu time spent up to now is 141.8 secs Computing kpt #: 58 total cpu time spent up to now is 143.1 secs Computing kpt #: 59 total cpu time spent up to now is 144.4 secs Computing kpt #: 60 total cpu time spent up to now is 146.5 secs Computing kpt #: 61 total cpu time spent up to now is 149.7 secs Computing kpt #: 62 total cpu time spent up to now is 151.5 secs Computing kpt #: 63 total cpu time spent up to now is 152.7 secs Computing kpt #: 64 total cpu time spent up to now is 154.1 secs Computing kpt #: 65 total cpu time spent up to now is 155.5 secs Computing kpt #: 66 total cpu time spent up to now is 156.8 secs Computing kpt #: 67 total cpu time spent up to now is 158.1 secs Computing kpt #: 68 total cpu time spent up to now is 159.6 secs Computing kpt #: 69 total cpu time spent up to now is 161.2 secs Computing kpt #: 70 total cpu time spent up to now is 162.9 secs Computing kpt #: 71 total cpu time spent up to now is 164.4 secs Computing kpt #: 72 total cpu time spent up to now is 166.3 secs Computing kpt #: 73 total cpu time spent up to now is 169.1 secs Computing kpt #: 74 total cpu time spent up to now is 172.4 secs Computing kpt #: 75 total cpu time spent up to now is 173.9 secs Computing kpt #: 76 total cpu time spent up to now is 175.2 secs Computing kpt #: 77 total cpu time spent up to now is 176.5 secs Computing kpt #: 78 total cpu time spent up to now is 177.6 secs Computing kpt #: 79 total cpu time spent up to now is 178.7 secs Computing kpt #: 80 total cpu time spent up to now is 180.0 secs Computing kpt #: 81 total cpu time spent up to now is 181.2 secs Computing kpt #: 82 total cpu time spent up to now is 182.5 secs Computing kpt #: 83 total cpu time spent up to now is 183.6 secs Computing kpt #: 84 total cpu time spent up to now is 184.7 secs Computing kpt #: 85 total cpu time spent up to now is 185.8 secs Computing kpt #: 86 total cpu time spent up to now is 187.4 secs Computing kpt #: 87 total cpu time spent up to now is 190.7 secs Computing kpt #: 88 total cpu time spent up to now is 193.1 secs Computing kpt #: 89 total cpu time spent up to now is 194.3 secs Computing kpt #: 90 total cpu time spent up to now is 196.0 secs Computing kpt #: 91 total cpu time spent up to now is 197.6 secs Computing kpt #: 92 total cpu time spent up to now is 199.3 secs Computing kpt #: 93 total cpu time spent up to now is 201.3 secs Computing kpt #: 94 total cpu time spent up to now is 203.2 secs Computing kpt #: 95 total cpu time spent up to now is 204.8 secs Computing kpt #: 96 total cpu time spent up to now is 207.0 secs Computing kpt #: 97 total cpu time spent up to now is 210.4 secs Computing kpt #: 98 total cpu time spent up to now is 211.9 secs Computing kpt #: 99 total cpu time spent up to now is 213.2 secs Computing kpt #: 100 total cpu time spent up to now is 214.6 secs Computing kpt #: 101 total cpu time spent up to now is 215.9 secs Computing kpt #: 102 total cpu time spent up to now is 217.3 secs Computing kpt #: 103 total cpu time spent up to now is 218.6 secs Computing kpt #: 104 total cpu time spent up to now is 219.8 secs Computing kpt #: 105 total cpu time spent up to now is 221.2 secs Computing kpt #: 106 total cpu time spent up to now is 222.5 secs Computing kpt #: 107 total cpu time spent up to now is 223.7 secs Computing kpt #: 108 total cpu time spent up to now is 225.1 secs Computing kpt #: 109 total cpu time spent up to now is 228.2 secs Computing kpt #: 110 total cpu time spent up to now is 230.8 secs Computing kpt #: 111 total cpu time spent up to now is 232.2 secs Computing kpt #: 112 total cpu time spent up to now is 233.7 secs Computing kpt #: 113 total cpu time spent up to now is 235.1 secs Computing kpt #: 114 total cpu time spent up to now is 236.4 secs Computing kpt #: 115 total cpu time spent up to now is 237.7 secs Computing kpt #: 116 total cpu time spent up to now is 239.2 secs Computing kpt #: 117 total cpu time spent up to now is 240.8 secs Computing kpt #: 118 total cpu time spent up to now is 242.4 secs Computing kpt #: 119 total cpu time spent up to now is 243.7 secs Computing kpt #: 120 total cpu time spent up to now is 245.4 secs Computing kpt #: 121 total cpu time spent up to now is 248.0 secs Computing kpt #: 122 total cpu time spent up to now is 252.1 secs Computing kpt #: 123 total cpu time spent up to now is 254.0 secs Computing kpt #: 124 total cpu time spent up to now is 256.2 secs Computing kpt #: 125 total cpu time spent up to now is 258.4 secs Computing kpt #: 126 total cpu time spent up to now is 260.7 secs Computing kpt #: 127 total cpu time spent up to now is 263.2 secs Computing kpt #: 128 total cpu time spent up to now is 264.8 secs Computing kpt #: 129 total cpu time spent up to now is 266.3 secs Computing kpt #: 130 total cpu time spent up to now is 268.2 secs Computing kpt #: 131 total cpu time spent up to now is 270.4 secs Computing kpt #: 132 total cpu time spent up to now is 272.7 secs Computing kpt #: 133 total cpu time spent up to now is 274.9 secs Computing kpt #: 134 total cpu time spent up to now is 276.6 secs Computing kpt #: 135 total cpu time spent up to now is 278.1 secs Computing kpt #: 136 total cpu time spent up to now is 279.7 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.0 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.9 secs Computing kpt #: 139 total cpu time spent up to now is 286.0 secs Computing kpt #: 140 total cpu time spent up to now is 287.0 secs Computing kpt #: 141 total cpu time spent up to now is 288.1 secs Computing kpt #: 142 total cpu time spent up to now is 289.1 secs Computing kpt #: 143 total cpu time spent up to now is 290.5 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.0 secs Computing kpt #: 145 total cpu time spent up to now is 294.6 secs Computing kpt #: 146 total cpu time spent up to now is 296.2 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.7 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.4 secs Computing kpt #: 149 total cpu time spent up to now is 303.0 secs Computing kpt #: 150 total cpu time spent up to now is 304.5 secs Computing kpt #: 151 total cpu time spent up to now is 306.6 secs Computing kpt #: 152 total cpu time spent up to now is 308.0 secs Computing kpt #: 153 total cpu time spent up to now is 310.1 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.6 secs Computing kpt #: 155 total cpu time spent up to now is 314.1 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.6 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.1 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.6 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.9 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 326.4 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.9 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.4 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.8 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.3 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.8 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.8 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 346.4 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.9 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.3 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.9 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.4 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.9 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 361.3 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.8 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.4 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.9 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.4 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 373.9 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.4 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.9 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.4 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.9 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.4 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.9 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.4 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.9 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.4 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.9 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.4 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.9 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.4 secs Computing kpt #: 193 total cpu time spent up to now is 408.3 secs Computing kpt #: 194 total cpu time spent up to now is 410.2 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.8 secs Computing kpt #: 196 total cpu time spent up to now is 414.8 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.7 secs Computing kpt #: 198 total cpu time spent up to now is 421.0 secs Computing kpt #: 199 total cpu time spent up to now is 423.8 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.3 secs Computing kpt #: 201 total cpu time spent up to now is 428.6 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.1 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.5 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.0 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.5 secs Computing kpt #: 206 total cpu time spent up to now is 440.8 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.3 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.7 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.3 secs Computing kpt #: 210 total cpu time spent up to now is 449.5 secs Computing kpt #: 211 total cpu time spent up to now is 450.6 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 453.1 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.6 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 458.0 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 460.5 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.0 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 465.4 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.8 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 470.3 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.8 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.3 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 477.7 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.2 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 482.7 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 485.2 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 487.7 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.2 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 492.7 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.1 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 497.7 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 500.1 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 502.6 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.1 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.7 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.2 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 512.6 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.1 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.6 secs Computing kpt #: 239 total cpu time spent up to now is 519.9 secs Computing kpt #: 240 total cpu time spent up to now is 522.3 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.8 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.3 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 529.7 secs Computing kpt #: 244 total cpu time spent up to now is 531.6 secs Computing kpt #: 245 total cpu time spent up to now is 533.1 secs Computing kpt #: 246 total cpu time spent up to now is 534.7 secs Computing kpt #: 247 total cpu time spent up to now is 536.0 secs Computing kpt #: 248 total cpu time spent up to now is 537.4 secs Computing kpt #: 249 total cpu time spent up to now is 538.8 secs Computing kpt #: 250 total cpu time spent up to now is 540.1 secs Computing kpt #: 251 total cpu time spent up to now is 541.5 secs Computing kpt #: 252 total cpu time spent up to now is 542.8 secs Computing kpt #: 253 total cpu time spent up to now is 544.0 secs Computing kpt #: 254 total cpu time spent up to now is 545.3 secs Computing kpt #: 255 total cpu time spent up to now is 546.6 secs Computing kpt #: 256 total cpu time spent up to now is 547.8 secs Computing kpt #: 257 total cpu time spent up to now is 549.0 secs Computing kpt #: 258 total cpu time spent up to now is 550.3 secs Computing kpt #: 259 total cpu time spent up to now is 551.6 secs Computing kpt #: 260 total cpu time spent up to now is 552.9 secs Computing kpt #: 261 total cpu time spent up to now is 554.2 secs Computing kpt #: 262 total cpu time spent up to now is 555.4 secs Computing kpt #: 263 total cpu time spent up to now is 556.7 secs Computing kpt #: 264 total cpu time spent up to now is 557.9 secs Computing kpt #: 265 total cpu time spent up to now is 559.3 secs Computing kpt #: 266 total cpu time spent up to now is 560.5 secs Computing kpt #: 267 total cpu time spent up to now is 561.8 secs Computing kpt #: 268 total cpu time spent up to now is 563.2 secs Computing kpt #: 269 total cpu time spent up to now is 564.2 secs Computing kpt #: 270 total cpu time spent up to now is 565.5 secs Computing kpt #: 271 total cpu time spent up to now is 566.7 secs Computing kpt #: 272 total cpu time spent up to now is 567.8 secs Computing kpt #: 273 total cpu time spent up to now is 568.9 secs Computing kpt #: 274 total cpu time spent up to now is 569.9 secs Computing kpt #: 275 total cpu time spent up to now is 571.0 secs Computing kpt #: 276 total cpu time spent up to now is 572.0 secs Computing kpt #: 277 total cpu time spent up to now is 572.9 secs Computing kpt #: 278 total cpu time spent up to now is 574.0 secs Computing kpt #: 279 total cpu time spent up to now is 575.2 secs Computing kpt #: 280 total cpu time spent up to now is 576.4 secs Computing kpt #: 281 total cpu time spent up to now is 577.6 secs Computing kpt #: 282 total cpu time spent up to now is 578.8 secs Computing kpt #: 283 total cpu time spent up to now is 579.9 secs Computing kpt #: 284 total cpu time spent up to now is 581.2 secs Computing kpt #: 285 total cpu time spent up to now is 582.4 secs Computing kpt #: 286 total cpu time spent up to now is 583.6 secs Computing kpt #: 287 total cpu time spent up to now is 584.8 secs Computing kpt #: 288 total cpu time spent up to now is 586.0 secs Computing kpt #: 289 total cpu time spent up to now is 587.3 secs Computing kpt #: 290 total cpu time spent up to now is 588.7 secs Computing kpt #: 291 total cpu time spent up to now is 590.1 secs Computing kpt #: 292 total cpu time spent up to now is 591.6 secs Computing kpt #: 293 total cpu time spent up to now is 593.2 secs Computing kpt #: 294 total cpu time spent up to now is 594.8 secs Computing kpt #: 295 total cpu time spent up to now is 596.4 secs Computing kpt #: 296 total cpu time spent up to now is 597.9 secs Computing kpt #: 297 total cpu time spent up to now is 599.8 secs Computing kpt #: 298 total cpu time spent up to now is 601.7 secs Computing kpt #: 299 total cpu time spent up to now is 603.7 secs Computing kpt #: 300 total cpu time spent up to now is 605.5 secs Computing kpt #: 301 total cpu time spent up to now is 607.9 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 610.3 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.7 secs Computing kpt #: 304 total cpu time spent up to now is 615.2 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 617.6 secs Computing kpt #: 306 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 620.1 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.5 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.0 secs Computing kpt #: 309 total cpu time spent up to now is 626.3 secs ethr = 2.78E-11, avg # of iterations = 76.0 total cpu time spent up to now is 675.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -15.2074 -15.2074 -7.9361 -7.9361 -6.9125 -6.9125 -6.9125 -6.9125 -1.7314 -1.7314 0.1466 0.1466 0.1466 0.1466 6.0729 6.0729 6.3094 6.3094 6.3094 6.3094 8.1935 8.1935 8.1935 8.1935 8.2098 8.2098 8.3772 8.3772 8.3772 8.3772 8.4719 8.4719 9.0330 9.0330 9.2023 9.2023 9.2023 9.2023 9.4989 9.4989 9.4989 9.4989 14.6941 14.6941 k = 0.0000 0.0125-0.0000 ( 2301 PWs) bands (ev): -15.2072 -15.2072 -7.9362 -7.9362 -6.9130 -6.9130 -6.9125 -6.9125 -1.7310 -1.7310 0.1469 0.1469 0.1472 0.1472 6.0717 6.0717 6.3069 6.3069 6.3090 6.3090 8.1799 8.1799 8.1874 8.1874 8.2030 8.2030 8.3814 8.3814 8.3893 8.3893 8.4778 8.4778 9.0288 9.0288 9.1927 9.1927 9.2029 9.2029 9.4989 9.4989 9.5143 9.5143 14.6971 14.6971 k = 0.0000 0.0250-0.0000 ( 2305 PWs) bands (ev): -15.2066 -15.2066 -7.9364 -7.9364 -6.9143 -6.9143 -6.9123 -6.9123 -1.7297 -1.7297 0.1481 0.1481 0.1492 0.1492 6.0682 6.0682 6.2995 6.2995 6.3078 6.3078 8.1463 8.1463 8.1619 8.1619 8.1947 8.1947 8.3895 8.3895 8.4181 8.4181 8.4950 8.4950 9.0146 9.0146 9.1717 9.1717 9.2050 9.2050 9.4990 9.4990 9.5545 9.5545 14.7061 14.7061 k = 0.0000 0.0375-0.0000 ( 2305 PWs) bands (ev): -15.2056 -15.2056 -7.9367 -7.9367 -6.9166 -6.9166 -6.9121 -6.9121 -1.7276 -1.7276 0.1500 0.1500 0.1525 0.1525 6.0620 6.0620 6.2877 6.2877 6.3057 6.3057 8.1031 8.1031 8.1231 8.1231 8.1866 8.1866 8.3962 8.3962 8.4532 8.4532 8.5210 8.5210 8.9871 8.9871 9.1530 9.1530 9.2086 9.2086 9.4991 9.4991 9.6095 9.6095 14.7210 14.7210 k = 0.0000 0.0500-0.0000 ( 2293 PWs) bands (ev): -15.2042 -15.2042 -7.9373 -7.9373 -6.9196 -6.9196 -6.9117 -6.9117 -1.7246 -1.7246 0.1527 0.1527 0.1571 0.1571 6.0527 6.0527 6.2720 6.2720 6.3028 6.3028 8.0552 8.0552 8.0784 8.0784 8.1764 8.1764 8.4007 8.4007 8.4894 8.4894 8.5515 8.5515 8.9459 8.9459 9.1435 9.1435 9.2141 9.2141 9.4992 9.4992 9.6729 9.6729 14.7418 14.7418 k = 0.0000 0.0625-0.0000 ( 2301 PWs) bands (ev): -15.2023 -15.2023 -7.9380 -7.9380 -6.9234 -6.9234 -6.9112 -6.9112 -1.7209 -1.7209 0.1561 0.1561 0.1630 0.1630 6.0396 6.0396 6.2536 6.2536 6.2990 6.2990 8.0050 8.0050 8.0307 8.0307 8.1637 8.1637 8.4035 8.4035 8.5237 8.5237 8.5827 8.5827 8.8950 8.8950 9.1431 9.1431 9.2218 9.2218 9.4994 9.4994 9.7408 9.7408 14.7683 14.7683 k = 0.0000 0.0750-0.0000 ( 2293 PWs) bands (ev): -15.2001 -15.2001 -7.9389 -7.9389 -6.9280 -6.9280 -6.9106 -6.9106 -1.7164 -1.7164 0.1602 0.1602 0.1701 0.1701 6.0219 6.0219 6.2336 6.2336 6.2943 6.2943 7.9536 7.9536 7.9815 7.9815 8.1485 8.1485 8.4057 8.4057 8.5548 8.5548 8.6125 8.6125 8.8386 8.8386 9.1498 9.1498 9.2324 9.2324 9.4996 9.4996 9.8115 9.8115 14.8003 14.8003 k = 0.0000 0.0875-0.0000 ( 2285 PWs) bands (ev): -15.1976 -15.1976 -7.9401 -7.9401 -6.9332 -6.9332 -6.9099 -6.9099 -1.7112 -1.7112 0.1650 0.1650 0.1783 0.1783 5.9986 5.9986 6.2134 6.2134 6.2888 6.2888 7.9017 7.9017 7.9315 7.9315 8.1309 8.1309 8.4074 8.4074 8.5814 8.5814 8.6391 8.6391 8.7792 8.7792 9.1623 9.1623 9.2461 9.2461 9.5001 9.5001 9.8839 9.8839 14.8377 14.8377 k = 0.0000 0.1000-0.0000 ( 2285 PWs) bands (ev): -15.1946 -15.1946 -7.9415 -7.9415 -6.9389 -6.9389 -6.9091 -6.9091 -1.7053 -1.7053 0.1705 0.1705 0.1878 0.1878 5.9691 5.9691 6.1941 6.1941 6.2823 6.2823 7.8498 7.8498 7.8814 7.8814 8.1111 8.1111 8.4089 8.4089 8.6025 8.6025 8.6616 8.6616 8.7188 8.7188 9.1800 9.1800 9.2634 9.2634 9.5005 9.5005 9.9574 9.9574 14.8801 14.8801 k = 0.0000 0.1125-0.0000 ( 2285 PWs) bands (ev): -15.1914 -15.1914 -7.9433 -7.9433 -6.9452 -6.9452 -6.9083 -6.9083 -1.6987 -1.6987 0.1766 0.1766 0.1983 0.1983 5.9332 5.9332 6.1764 6.1764 6.2749 6.2749 7.7981 7.7981 7.8316 7.8316 8.0893 8.0893 8.4102 8.4102 8.6147 8.6147 8.6612 8.6612 8.6792 8.6792 9.2025 9.2025 9.2845 9.2845 9.5010 9.5010 10.0315 10.0315 14.9274 14.9274 k = 0.0000 0.1250-0.0000 ( 2281 PWs) bands (ev): -15.1878 -15.1878 -7.9454 -7.9454 -6.9518 -6.9518 -6.9073 -6.9073 -1.6915 -1.6915 0.1834 0.1834 0.2098 0.2098 5.8913 5.8913 6.1604 6.1604 6.2664 6.2664 7.7469 7.7469 7.7825 7.7825 8.0657 8.0657 8.4116 8.4116 8.5857 8.5857 8.6393 8.6393 8.6920 8.6920 9.2294 9.2294 9.3091 9.3091 9.5016 9.5016 10.1056 10.1056 14.9791 14.9791 k = 0.0000 0.1375-0.0000 ( 2281 PWs) bands (ev): -15.1839 -15.1839 -7.9478 -7.9478 -6.9586 -6.9586 -6.9063 -6.9063 -1.6838 -1.6838 0.1908 0.1908 0.2223 0.2223 5.8442 5.8442 6.1459 6.1459 6.2570 6.2570 7.6964 7.6964 7.7342 7.7342 8.0404 8.0404 8.4129 8.4129 8.5262 8.5262 8.6429 8.6429 8.7000 8.7000 9.2600 9.2600 9.3371 9.3371 9.5025 9.5025 10.1794 10.1794 15.0352 15.0352 k = 0.0000 0.1500-0.0000 ( 2281 PWs) bands (ev): -15.1797 -15.1797 -7.9507 -7.9507 -6.9656 -6.9656 -6.9052 -6.9052 -1.6755 -1.6755 0.1987 0.1987 0.2356 0.2356 5.7927 5.7927 6.1326 6.1326 6.2466 6.2466 7.6469 7.6469 7.6870 7.6870 8.0137 8.0137 8.4142 8.4142 8.4643 8.4643 8.6447 8.6447 8.7035 8.7035 9.2938 9.2938 9.3679 9.3679 9.5038 9.5038 10.2525 10.2525 15.0950 15.0950 k = 0.0000 0.1625-0.0000 ( 2281 PWs) bands (ev): -15.1753 -15.1753 -7.9541 -7.9541 -6.9727 -6.9727 -6.9040 -6.9040 -1.6669 -1.6669 0.2071 0.2071 0.2498 0.2498 5.7378 5.7378 6.1199 6.1199 6.2352 6.2352 7.5984 7.5984 7.6411 7.6411 7.9857 7.9857 8.4022 8.4022 8.4156 8.4156 8.6432 8.6432 8.7029 8.7029 9.3301 9.3301 9.4004 9.4004 9.5060 9.5060 10.3248 10.3248 15.1585 15.1585 k = 0.0000 0.1750-0.0000 ( 2288 PWs) bands (ev): -15.1706 -15.1706 -7.9579 -7.9579 -6.9797 -6.9797 -6.9028 -6.9028 -1.6578 -1.6578 0.2160 0.2160 0.2647 0.2647 5.6803 5.6803 6.1076 6.1076 6.2227 6.2227 7.5511 7.5511 7.5967 7.5967 7.9568 7.9568 8.3402 8.3402 8.4168 8.4168 8.6386 8.6386 8.6987 8.6987 9.3682 9.3682 9.4330 9.4330 9.5100 9.5100 10.3960 10.3960 15.2251 15.2251 k = 0.0000 0.1875-0.0000 ( 2288 PWs) bands (ev): -15.1657 -15.1657 -7.9623 -7.9623 -6.9866 -6.9866 -6.9015 -6.9015 -1.6485 -1.6485 0.2253 0.2253 0.2802 0.2802 5.6209 5.6209 6.0955 6.0955 6.2092 6.2092 7.5053 7.5053 7.5540 7.5540 7.9271 7.9271 8.2787 8.2787 8.4182 8.4182 8.6316 8.6316 8.6918 8.6918 9.4075 9.4075 9.4619 9.4619 9.5194 9.5194 10.4659 10.4659 15.2945 15.2945 k = 0.0000 0.2000-0.0000 ( 2288 PWs) bands (ev): -15.1607 -15.1607 -7.9671 -7.9671 -6.9932 -6.9932 -6.9002 -6.9002 -1.6388 -1.6388 0.2349 0.2349 0.2962 0.2962 5.5603 5.5603 6.0833 6.0833 6.1947 6.1947 7.4609 7.4609 7.5131 7.5131 7.8968 7.8968 8.2178 8.2178 8.4196 8.4196 8.6225 8.6225 8.6824 8.6824 9.4476 9.4476 9.4803 9.4803 9.5401 9.5401 10.5341 10.5341 15.3663 15.3663 k = 0.0000 0.2125-0.0000 ( 2284 PWs) bands (ev): -15.1555 -15.1555 -7.9725 -7.9725 -6.9994 -6.9994 -6.8989 -6.8989 -1.6290 -1.6290 0.2449 0.2449 0.3126 0.3126 5.4990 5.4990 6.0709 6.0709 6.1792 6.1792 7.4183 7.4183 7.4740 7.4740 7.8662 7.8662 8.1576 8.1576 8.4211 8.4211 8.6119 8.6119 8.6711 8.6711 9.4881 9.4881 9.4885 9.4885 9.5717 9.5717 10.6006 10.6006 15.4401 15.4401 k = 0.0000 0.2250-0.0000 ( 2284 PWs) bands (ev): -15.1502 -15.1502 -7.9783 -7.9783 -7.0053 -7.0053 -6.8975 -6.8975 -1.6190 -1.6190 0.2552 0.2552 0.3294 0.3294 5.4375 5.4375 6.0583 6.0583 6.1629 6.1629 7.3773 7.3773 7.4369 7.4369 7.8354 7.8354 8.0983 8.0983 8.4225 8.4225 8.5999 8.5999 8.6582 8.6582 9.4921 9.4921 9.5284 9.5284 9.6078 9.6078 10.6651 10.6651 15.5155 15.5155 k = 0.0000 0.2375-0.0000 ( 2284 PWs) bands (ev): -15.1448 -15.1448 -7.9847 -7.9847 -7.0107 -7.0107 -6.8961 -6.8961 -1.6090 -1.6090 0.2656 0.2656 0.3464 0.3464 5.3764 5.3764 6.0455 6.0455 6.1456 6.1456 7.3381 7.3381 7.4019 7.4019 7.8046 7.8046 8.0401 8.0401 8.4240 8.4240 8.5871 8.5871 8.6442 8.6442 9.4941 9.4941 9.5684 9.5684 9.6454 9.6454 10.7275 10.7275 15.5921 15.5921 k = 0.0000 0.2500-0.0000 ( 2284 PWs) bands (ev): -15.1394 -15.1394 -7.9915 -7.9915 -7.0157 -7.0157 -6.8947 -6.8947 -1.5990 -1.5990 0.2762 0.2762 0.3635 0.3635 5.3159 5.3159 6.0323 6.0323 6.1276 6.1276 7.3009 7.3009 7.3690 7.3690 7.7740 7.7740 7.9832 7.9832 8.4255 8.4255 8.5736 8.5736 8.6294 8.6294 9.4953 9.4953 9.6078 9.6078 9.6833 9.6833 10.7877 10.7877 15.6694 15.6694 k = 0.0000 0.2625-0.0000 ( 2284 PWs) bands (ev): -15.1339 -15.1339 -7.9988 -7.9988 -7.0200 -7.0200 -6.8933 -6.8933 -1.5890 -1.5890 0.2868 0.2868 0.3807 0.3807 5.2565 5.2565 6.0189 6.0189 6.1090 6.1090 7.2656 7.2656 7.3382 7.3382 7.7439 7.7439 7.9276 7.9276 8.4269 8.4269 8.5596 8.5596 8.6140 8.6140 9.4962 9.4962 9.6463 9.6463 9.7207 9.7207 10.8455 10.8455 15.7470 15.7470 k = 0.0000 0.2750-0.0000 ( 2284 PWs) bands (ev): -15.1285 -15.1285 -8.0064 -8.0064 -7.0239 -7.0239 -6.8919 -6.8919 -1.5791 -1.5791 0.2975 0.2975 0.3977 0.3977 5.1985 5.1985 6.0052 6.0052 6.0898 6.0898 7.2323 7.2323 7.3095 7.3095 7.7143 7.7143 7.8735 7.8735 8.4284 8.4284 8.5455 8.5455 8.5982 8.5982 9.4968 9.4968 9.6837 9.6837 9.7574 9.7574 10.9008 10.9008 15.8245 15.8245 k = 0.0000 0.2875-0.0000 ( 2292 PWs) bands (ev): -15.1231 -15.1231 -8.0143 -8.0143 -7.0272 -7.0272 -6.8905 -6.8905 -1.5694 -1.5694 0.3081 0.3081 0.4146 0.4146 5.1423 5.1423 5.9914 5.9914 6.0703 6.0703 7.2010 7.2010 7.2829 7.2829 7.6854 7.6854 7.8212 7.8212 8.4298 8.4298 8.5313 8.5313 8.5824 8.5824 9.4973 9.4973 9.7199 9.7199 9.7931 9.7931 10.9535 10.9535 15.9014 15.9014 k = 0.0000 0.3000-0.0000 ( 2276 PWs) bands (ev): -15.1178 -15.1178 -8.0225 -8.0225 -7.0299 -7.0299 -6.8891 -6.8891 -1.5599 -1.5599 0.3186 0.3186 0.4311 0.4311 5.0880 5.0880 5.9775 5.9775 6.0505 6.0505 7.1719 7.1719 7.2585 7.2585 7.6574 7.6574 7.7707 7.7707 8.4313 8.4313 8.5173 8.5173 8.5667 8.5667 9.4980 9.4980 9.7547 9.7547 9.8275 9.8275 11.0035 11.0035 15.9773 15.9773 k = 0.0000 0.3125-0.0000 ( 2284 PWs) bands (ev): -15.1126 -15.1126 -8.0308 -8.0308 -7.0322 -7.0322 -6.8878 -6.8878 -1.5507 -1.5507 0.3289 0.3289 0.4472 0.4472 5.0360 5.0360 5.9635 5.9635 6.0307 6.0307 7.1448 7.1448 7.2359 7.2359 7.6305 7.6305 7.7223 7.7223 8.4326 8.4326 8.5035 8.5035 8.5511 8.5511 9.4982 9.4982 9.7880 9.7880 9.8605 9.8605 11.0508 11.0508 16.0516 16.0516 k = 0.0000 0.3250-0.0000 ( 2284 PWs) bands (ev): -15.1076 -15.1076 -8.0391 -8.0391 -7.0339 -7.0339 -6.8865 -6.8865 -1.5418 -1.5418 0.3389 0.3389 0.4628 0.4628 4.9864 4.9864 5.9497 5.9497 6.0110 6.0110 7.1197 7.1197 7.2154 7.2154 7.6046 7.6046 7.6761 7.6761 8.4339 8.4339 8.4901 8.4901 8.5360 8.5360 9.4985 9.4985 9.8196 9.8196 9.8920 9.8920 11.0952 11.0952 16.1241 16.1241 k = 0.0000 0.3375-0.0000 ( 2276 PWs) bands (ev): -15.1027 -15.1027 -8.0474 -8.0474 -7.0352 -7.0352 -6.8853 -6.8853 -1.5333 -1.5333 0.3486 0.3486 0.4779 0.4779 4.9395 4.9395 5.9361 5.9361 5.9917 5.9917 7.0967 7.0967 7.1968 7.1968 7.5801 7.5801 7.6322 7.6322 8.4352 8.4352 8.4772 8.4772 8.5215 8.5215 9.4988 9.4988 9.8495 9.8495 9.9218 9.9218 11.1368 11.1368 16.1941 16.1941 k = 0.0000 0.3500-0.0000 ( 2288 PWs) bands (ev): -15.0981 -15.0981 -8.0556 -8.0556 -7.0361 -7.0361 -6.8841 -6.8841 -1.5253 -1.5253 0.3579 0.3579 0.4922 0.4922 4.8954 4.8954 5.9228 5.9228 5.9729 5.9729 7.0756 7.0756 7.1800 7.1800 7.5569 7.5569 7.5909 7.5909 8.4363 8.4363 8.4649 8.4649 8.5076 8.5076 9.4990 9.4990 9.8775 9.8775 9.9497 9.9497 11.1753 11.1753 16.2612 16.2612 k = 0.0000 0.3625-0.0000 ( 2288 PWs) bands (ev): -15.0937 -15.0937 -8.0636 -8.0636 -7.0367 -7.0367 -6.8830 -6.8830 -1.5177 -1.5177 0.3667 0.3667 0.5057 0.5057 4.8543 4.8543 5.9099 5.9099 5.9548 5.9548 7.0566 7.0566 7.1649 7.1649 7.5352 7.5352 7.5522 7.5522 8.4373 8.4373 8.4534 8.4534 8.4945 8.4945 9.4992 9.4992 9.9036 9.9036 9.9758 9.9758 11.2109 11.2109 16.3250 16.3250 k = 0.0000 0.3750-0.0000 ( 2292 PWs) bands (ev): -15.0896 -15.0896 -8.0712 -8.0712 -7.0370 -7.0370 -6.8820 -6.8820 -1.5106 -1.5106 0.3751 0.3751 0.5183 0.5183 4.8163 4.8163 5.8977 5.8977 5.9375 5.9375 7.0394 7.0394 7.1514 7.1514 7.5151 7.5151 7.5163 7.5163 8.4383 8.4383 8.4425 8.4425 8.4822 8.4822 9.4993 9.4993 9.9277 9.9277 9.9999 9.9999 11.2435 11.2435 16.3851 16.3851 k = 0.0000 0.3875-0.0000 ( 2276 PWs) bands (ev): -15.0858 -15.0858 -8.0784 -8.0784 -7.0371 -7.0371 -6.8810 -6.8810 -1.5041 -1.5041 0.3828 0.3828 0.5300 0.5300 4.7817 4.7817 5.8862 5.8862 5.9214 5.9214 7.0242 7.0242 7.1395 7.1395 7.4834 7.4834 7.4967 7.4967 8.4326 8.4326 8.4392 8.4392 8.4710 8.4710 9.4995 9.4995 9.9498 9.9498 10.0220 10.0220 11.2731 11.2731 16.4409 16.4409 k = 0.0000 0.4000-0.0000 ( 2276 PWs) bands (ev): -15.0823 -15.0823 -8.0851 -8.0851 -7.0369 -7.0369 -6.8801 -6.8801 -1.4981 -1.4981 0.3899 0.3899 0.5407 0.5407 4.7504 4.7504 5.8755 5.8755 5.9064 5.9064 7.0107 7.0107 7.1291 7.1291 7.4536 7.4536 7.4800 7.4800 8.4235 8.4235 8.4398 8.4398 8.4610 8.4610 9.4996 9.4996 9.9696 9.9696 10.0419 10.0419 11.2996 11.2996 16.4921 16.4921 k = 0.0000 0.4125-0.0000 ( 2280 PWs) bands (ev): -15.0792 -15.0792 -8.0912 -8.0912 -7.0367 -7.0367 -6.8794 -6.8794 -1.4928 -1.4928 0.3963 0.3963 0.5502 0.5502 4.7226 4.7226 5.8657 5.8657 5.8928 5.8928 6.9989 6.9989 7.1201 7.1201 7.4270 7.4270 7.4651 7.4651 8.4154 8.4154 8.4397 8.4397 8.4526 8.4526 9.4997 9.4997 9.9873 9.9873 10.0596 10.0596 11.3230 11.3230 16.5383 16.5383 k = 0.0000 0.4250-0.0000 ( 2280 PWs) bands (ev): -15.0764 -15.0764 -8.0967 -8.0967 -7.0364 -7.0364 -6.8787 -6.8787 -1.4882 -1.4882 0.4019 0.4019 0.5587 0.5587 4.6983 4.6983 5.8570 5.8570 5.8808 5.8808 6.9889 6.9889 7.1124 7.1124 7.4036 7.4036 7.4521 7.4521 8.4082 8.4082 8.4378 8.4378 8.4470 8.4470 9.4998 9.4998 10.0027 10.0027 10.0751 10.0751 11.3433 11.3433 16.5792 16.5792 k = 0.0000 0.4375-0.0000 ( 2280 PWs) bands (ev): -15.0740 -15.0740 -8.1015 -8.1015 -7.0360 -7.0360 -6.8781 -6.8781 -1.4842 -1.4842 0.4068 0.4068 0.5659 0.5659 4.6777 4.6777 5.8495 5.8495 5.8704 5.8704 6.9805 6.9805 7.1060 7.1060 7.3837 7.3837 7.4409 7.4409 8.4021 8.4021 8.4332 8.4332 8.4451 8.4451 9.4999 9.4999 10.0158 10.0158 10.0882 10.0882 11.3605 11.3605 16.6144 16.6144 k = 0.0000 0.4500-0.0000 ( 2272 PWs) bands (ev): -15.0721 -15.0721 -8.1054 -8.1054 -7.0356 -7.0356 -6.8776 -6.8776 -1.4809 -1.4809 0.4108 0.4108 0.5718 0.5718 4.6607 4.6607 5.8432 5.8432 5.8617 5.8617 6.9738 6.9738 7.1009 7.1009 7.3673 7.3673 7.4318 7.4318 8.3971 8.3971 8.4282 8.4282 8.4448 8.4448 9.5000 9.5000 10.0266 10.0266 10.0991 10.0991 11.3746 11.3746 16.6436 16.6436 k = 0.0000 0.4625-0.0000 ( 2264 PWs) bands (ev): -15.0705 -15.0705 -8.1086 -8.1086 -7.0353 -7.0353 -6.8772 -6.8772 -1.4783 -1.4783 0.4140 0.4140 0.5765 0.5765 4.6475 4.6475 5.8383 5.8383 5.8549 5.8549 6.9685 6.9685 7.0970 7.0970 7.3545 7.3545 7.4247 7.4247 8.3931 8.3931 8.4240 8.4240 8.4449 8.4449 9.5001 9.5001 10.0351 10.0351 10.1076 10.1076 11.3856 11.3856 16.6666 16.6666 k = 0.0000 0.4750-0.0000 ( 2272 PWs) bands (ev): -15.0694 -15.0694 -8.1108 -8.1108 -7.0351 -7.0351 -6.8769 -6.8769 -1.4764 -1.4764 0.4162 0.4162 0.5799 0.5799 4.6380 4.6380 5.8347 5.8347 5.8500 5.8500 6.9648 6.9648 7.0941 7.0941 7.3452 7.3452 7.4195 7.4195 8.3903 8.3903 8.4209 8.4209 8.4451 8.4451 9.5001 9.5001 10.0411 10.0411 10.1136 10.1136 11.3933 11.3933 16.6831 16.6831 k = 0.0000 0.4875-0.0000 ( 2272 PWs) bands (ev): -15.0688 -15.0688 -8.1122 -8.1122 -7.0350 -7.0350 -6.8768 -6.8768 -1.4753 -1.4753 0.4176 0.4176 0.5819 0.5819 4.6323 4.6323 5.8325 5.8325 5.8470 5.8470 6.9626 6.9626 7.0924 7.0924 7.3397 7.3397 7.4165 7.4165 8.3886 8.3886 8.4190 8.4190 8.4451 8.4451 9.5001 9.5001 10.0447 10.0447 10.1173 10.1173 11.3980 11.3980 16.6931 16.6931 k = 0.0000 0.5000-0.0000 ( 2272 PWs) bands (ev): -15.0685 -15.0685 -8.1127 -8.1127 -7.0349 -7.0349 -6.8767 -6.8767 -1.4749 -1.4749 0.4181 0.4181 0.5825 0.5825 4.6304 4.6304 5.8318 5.8318 5.8460 5.8460 6.9618 6.9618 7.0919 7.0919 7.3378 7.3378 7.4154 7.4154 8.3880 8.3880 8.4184 8.4184 8.4452 8.4452 9.5001 9.5001 10.0459 10.0459 10.1185 10.1185 11.3996 11.3996 16.6964 16.6964 k = 0.0000 0.5000-0.0000 ( 2272 PWs) bands (ev): -15.0685 -15.0685 -8.1127 -8.1127 -7.0349 -7.0349 -6.8767 -6.8767 -1.4749 -1.4749 0.4181 0.4181 0.5825 0.5825 4.6304 4.6304 5.8318 5.8318 5.8460 5.8460 6.9618 6.9618 7.0919 7.0919 7.3378 7.3378 7.4154 7.4154 8.3880 8.3880 8.4184 8.4184 8.4452 8.4452 9.5001 9.5001 10.0459 10.0459 10.1185 10.1185 11.3996 11.3996 16.6964 16.6964 k = 0.0125 0.5000-0.0000 ( 2272 PWs) bands (ev): -15.0684 -15.0684 -8.1120 -8.1120 -7.0353 -7.0353 -6.8769 -6.8769 -1.4751 -1.4751 0.4180 0.4180 0.5819 0.5819 4.6299 4.6299 5.8314 5.8314 5.8457 5.8457 6.9529 6.9529 7.0801 7.0801 7.3531 7.3531 7.4216 7.4216 8.3607 8.3607 8.3998 8.3998 8.4862 8.4862 9.5060 9.5060 10.0455 10.0455 10.1180 10.1180 11.4021 11.4021 16.6980 16.6980 k = 0.0250 0.5000-0.0000 ( 2272 PWs) bands (ev): -15.0679 -15.0679 -8.1101 -8.1101 -7.0365 -7.0365 -6.8775 -6.8775 -1.4757 -1.4757 0.4177 0.4177 0.5798 0.5798 4.6282 4.6282 5.8299 5.8299 5.8452 5.8452 6.9242 6.9242 7.0571 7.0571 7.3818 7.3818 7.4470 7.4470 8.3080 8.3080 8.3834 8.3834 8.5409 8.5409 9.5230 9.5230 10.0443 10.0443 10.1167 10.1167 11.4098 11.4098 16.7026 16.7026 k = 0.0375 0.5000-0.0000 ( 2272 PWs) bands (ev): -15.0672 -15.0672 -8.1069 -8.1069 -7.0385 -7.0385 -6.8785 -6.8785 -1.4766 -1.4766 0.4172 0.4172 0.5763 0.5763 4.6255 4.6255 5.8262 5.8262 5.8454 5.8454 6.8762 6.8762 7.0373 7.0373 7.4025 7.4025 7.4983 7.4983 8.2525 8.2525 8.3609 8.3609 8.5966 8.5966 9.5497 9.5497 10.0423 10.0423 10.1146 10.1146 11.4227 11.4227 16.7103 16.7103 k = 0.0500 0.5000-0.0000 ( 2284 PWs) bands (ev): -15.0661 -15.0661 -8.1024 -8.1024 -7.0412 -7.0412 -6.8799 -6.8799 -1.4779 -1.4779 0.4165 0.4165 0.5716 0.5716 4.6217 4.6217 5.8197 5.8197 5.8469 5.8469 6.8152 6.8152 7.0217 7.0217 7.4190 7.4190 7.5639 7.5639 8.1963 8.1963 8.3327 8.3327 8.6523 8.6523 9.5843 9.5843 10.0395 10.0395 10.1116 10.1116 11.4408 11.4408 16.7209 16.7209 k = 0.0625 0.5000-0.0000 ( 2290 PWs) bands (ev): -15.0648 -15.0648 -8.0966 -8.0966 -7.0448 -7.0448 -6.8817 -6.8817 -1.4796 -1.4796 0.4155 0.4155 0.5657 0.5657 4.6169 4.6169 5.8102 5.8102 5.8496 5.8496 6.7475 6.7475 7.0077 7.0077 7.4364 7.4364 7.6352 7.6352 8.1401 8.1401 8.3006 8.3006 8.7078 8.7078 9.6248 9.6248 10.0359 10.0359 10.1079 10.1079 11.4641 11.4641 16.7344 16.7344 k = 0.0750 0.5000-0.0000 ( 2294 PWs) bands (ev): -15.0631 -15.0631 -8.0896 -8.0896 -7.0490 -7.0490 -6.8839 -6.8839 -1.4816 -1.4816 0.4143 0.4143 0.5588 0.5588 4.6111 4.6111 5.7978 5.7978 5.8533 5.8533 6.6767 6.6767 6.9934 6.9934 7.4560 7.4560 7.7091 7.7091 8.0840 8.0840 8.2667 8.2667 8.7631 8.7631 9.6690 9.6690 10.0317 10.0317 10.1034 10.1034 11.4928 11.4928 16.7508 16.7508 k = 0.0875 0.5000-0.0000 ( 2294 PWs) bands (ev): -15.0612 -15.0612 -8.0813 -8.0813 -7.0540 -7.0540 -6.8866 -6.8866 -1.4840 -1.4840 0.4128 0.4128 0.5509 0.5509 4.6043 4.6043 5.7825 5.7825 5.8579 5.8579 6.6044 6.6044 6.9782 6.9782 7.4783 7.4783 7.7841 7.7841 8.0282 8.0282 8.2326 8.2326 8.8179 8.8179 9.7152 9.7152 10.0268 10.0268 10.0984 10.0984 11.5267 11.5267 16.7699 16.7699 k = 0.1000 0.5000-0.0000 ( 2298 PWs) bands (ev): -15.0591 -15.0591 -8.0718 -8.0718 -7.0597 -7.0597 -6.8898 -6.8898 -1.4867 -1.4867 0.4108 0.4108 0.5422 0.5422 4.5966 4.5966 5.7641 5.7641 5.8634 5.8634 6.5316 6.5316 6.9616 6.9616 7.5033 7.5033 7.8594 7.8594 7.9727 7.9727 8.1998 8.1998 8.8723 8.8723 9.7619 9.7619 10.0213 10.0213 10.0929 10.0929 11.5659 11.5659 16.7916 16.7916 k = 0.1125 0.5000-0.0000 ( 2290 PWs) bands (ev): -15.0567 -15.0567 -8.0611 -8.0611 -7.0660 -7.0660 -6.8934 -6.8934 -1.4897 -1.4897 0.4083 0.4083 0.5331 0.5331 4.5881 4.5881 5.7425 5.7425 5.8696 5.8696 6.4590 6.4590 6.9437 6.9437 7.5309 7.5309 7.9162 7.9162 7.9358 7.9358 8.1695 8.1695 8.9261 8.9261 9.8079 9.8079 10.0153 10.0153 10.0871 10.0871 11.6102 11.6102 16.8159 16.8159 k = 0.1250 0.5000-0.0000 ( 2286 PWs) bands (ev): -15.0540 -15.0540 -8.0492 -8.0492 -7.0729 -7.0729 -6.8975 -6.8975 -1.4930 -1.4930 0.4051 0.4051 0.5238 0.5238 4.5787 4.5787 5.7178 5.7178 5.8766 5.8766 6.3868 6.3868 6.9242 6.9242 7.5608 7.5608 7.8623 7.8623 8.0097 8.0097 8.1427 8.1427 8.9792 8.9792 9.8519 9.8519 10.0090 10.0090 10.0812 10.0812 11.6595 11.6595 16.8425 16.8425 k = 0.1375 0.5000-0.0000 ( 2286 PWs) bands (ev): -15.0511 -15.0511 -8.0362 -8.0362 -7.0804 -7.0804 -6.9021 -6.9021 -1.4966 -1.4966 0.4010 0.4010 0.5147 0.5147 4.5684 4.5684 5.6900 5.6900 5.8844 5.8844 6.3154 6.3154 6.9034 6.9034 7.5930 7.5930 7.8079 7.8079 8.0834 8.0834 8.1202 8.1202 9.0316 9.0316 9.8932 9.8932 10.0024 10.0024 10.0753 10.0753 11.7134 11.7134 16.8713 16.8713 k = 0.1500 0.5000-0.0000 ( 2284 PWs) bands (ev): -15.0480 -15.0480 -8.0220 -8.0220 -7.0885 -7.0885 -6.9073 -6.9073 -1.5004 -1.5004 0.3958 0.3958 0.5060 0.5060 4.5573 4.5573 5.6592 5.6592 5.8929 5.8929 6.2450 6.2450 6.8812 6.8812 7.6272 7.6272 7.7541 7.7541 8.1015 8.1015 8.1570 8.1570 9.0831 9.0831 9.9303 9.9303 9.9960 9.9960 10.0702 10.0702 11.7717 11.7717 16.9023 16.9023 k = 0.1625 0.5000-0.0000 ( 2288 PWs) bands (ev): -15.0448 -15.0448 -8.0068 -8.0068 -7.0970 -7.0970 -6.9130 -6.9130 -1.5045 -1.5045 0.3892 0.3892 0.4982 0.4982 4.5454 4.5454 5.6256 5.6256 5.9022 5.9022 6.1758 6.1758 6.8578 6.8578 7.6630 7.6630 7.7008 7.7008 8.0883 8.0883 8.2287 8.2287 9.1338 9.1338 9.9603 9.9603 9.9917 9.9917 10.0668 10.0668 11.8338 11.8338 16.9352 16.9352 k = 0.1750 0.5000-0.0000 ( 2280 PWs) bands (ev): -15.0413 -15.0413 -7.9905 -7.9905 -7.1059 -7.1059 -6.9193 -6.9193 -1.5088 -1.5088 0.3812 0.3812 0.4916 0.4916 4.5327 4.5327 5.5895 5.5895 5.9122 5.9122 6.1079 6.1079 6.8333 6.8333 7.6476 7.6476 7.7008 7.7008 8.0798 8.0798 8.2991 8.2991 9.1835 9.1835 9.9716 9.9716 9.9984 9.9984 10.0679 10.0679 11.8994 11.8994 16.9700 16.9700 k = 0.1875 0.5000-0.0000 ( 2282 PWs) bands (ev): -15.0377 -15.0377 -7.9731 -7.9731 -7.1153 -7.1153 -6.9263 -6.9263 -1.5133 -1.5133 0.3716 0.3716 0.4863 0.4863 4.5191 4.5191 5.5513 5.5513 5.9229 5.9229 6.0415 6.0415 6.8079 6.8079 7.5955 7.5955 7.7393 7.7393 8.0762 8.0762 8.3680 8.3680 9.2320 9.2320 9.9674 9.9674 10.0093 10.0093 10.0772 10.0772 11.9678 11.9678 17.0064 17.0064 k = 0.2000 0.5000-0.0000 ( 2274 PWs) bands (ev): -15.0340 -15.0340 -7.9548 -7.9548 -7.1249 -7.1249 -6.9339 -6.9339 -1.5180 -1.5180 0.3605 0.3605 0.4823 0.4823 4.5047 4.5047 5.5116 5.5116 5.9340 5.9340 5.9770 5.9770 6.7817 6.7817 7.5439 7.5439 7.7788 7.7788 8.0773 8.0773 8.4351 8.4351 9.2795 9.2795 9.9606 9.9606 10.0120 10.0120 10.0944 10.0944 12.0385 12.0385 17.0444 17.0444 k = 0.2125 0.5000-0.0000 ( 2274 PWs) bands (ev): -15.0302 -15.0302 -7.9355 -7.9355 -7.1349 -7.1349 -6.9421 -6.9421 -1.5228 -1.5228 0.3482 0.3482 0.4797 0.4797 4.4894 4.4894 5.4706 5.4706 5.9127 5.9127 5.9474 5.9474 6.7548 6.7548 7.4930 7.4930 7.8189 7.8189 8.0829 8.0829 8.5002 8.5002 9.3257 9.3257 9.9535 9.9535 10.0095 10.0095 10.1147 10.1147 12.1109 12.1109 17.0838 17.0838 k = 0.2250 0.5000-0.0000 ( 2274 PWs) bands (ev): -15.0263 -15.0263 -7.9154 -7.9154 -7.1450 -7.1450 -6.9510 -6.9510 -1.5277 -1.5277 0.3349 0.3349 0.4782 0.4782 4.4732 4.4732 5.4290 5.4290 5.8518 5.8518 5.9600 5.9600 6.7275 6.7275 7.4428 7.4428 7.8593 7.8593 8.0925 8.0925 8.5632 8.5632 9.3706 9.3706 9.9463 9.9463 10.0049 10.0049 10.1351 10.1351 12.1845 12.1845 17.1244 17.1244 k = 0.2375 0.5000-0.0000 ( 2270 PWs) bands (ev): -15.0224 -15.0224 -7.8943 -7.8943 -7.1553 -7.1553 -6.9607 -6.9607 -1.5326 -1.5326 0.3209 0.3209 0.4777 0.4777 4.4560 4.4560 5.3873 5.3873 5.7926 5.7926 5.9736 5.9736 6.6999 6.6999 7.3933 7.3933 7.8996 7.8996 8.1060 8.1060 8.6239 8.6239 9.4141 9.4141 9.9395 9.9395 9.9994 9.9994 10.1541 10.1541 12.2585 12.2585 17.1661 17.1661 k = 0.2500 0.5000-0.0000 ( 2270 PWs) bands (ev): -15.0184 -15.0184 -7.8725 -7.8725 -7.1657 -7.1657 -6.9711 -6.9711 -1.5376 -1.5376 0.3065 0.3065 0.4780 0.4780 4.4379 4.4379 5.3460 5.3460 5.7353 5.7353 5.9880 5.9880 6.6721 6.6721 7.3446 7.3446 7.9394 7.9394 8.1229 8.1229 8.6820 8.6820 9.4562 9.4562 9.9331 9.9331 9.9937 9.9937 10.1716 10.1716 12.3325 12.3325 17.2086 17.2086 k = 0.2625 0.5000-0.0000 ( 2278 PWs) bands (ev): -15.0144 -15.0144 -7.8499 -7.8499 -7.1760 -7.1760 -6.9822 -6.9822 -1.5426 -1.5426 0.2919 0.2919 0.4789 0.4789 4.4188 4.4188 5.3055 5.3055 5.6801 5.6801 6.0030 6.0030 6.6443 6.6443 7.2967 7.2967 7.9784 7.9784 8.1430 8.1430 8.7374 8.7374 9.4966 9.4966 9.9272 9.9272 9.9881 9.9881 10.1873 10.1873 12.4060 12.4060 17.2517 17.2517 k = 0.2750 0.5000-0.0000 ( 2278 PWs) bands (ev): -15.0104 -15.0104 -7.8267 -7.8267 -7.1864 -7.1864 -6.9941 -6.9941 -1.5476 -1.5476 0.2773 0.2773 0.4804 0.4804 4.3988 4.3988 5.2664 5.2664 5.6271 5.6271 6.0188 6.0188 6.6167 6.6167 7.2497 7.2497 8.0164 8.0164 8.1657 8.1657 8.7900 8.7900 9.5355 9.5355 9.9219 9.9219 9.9828 9.9828 10.2015 10.2015 12.4784 12.4784 17.2952 17.2952 k = 0.2875 0.5000-0.0000 ( 2274 PWs) bands (ev): -15.0065 -15.0065 -7.8028 -7.8028 -7.1966 -7.1966 -7.0068 -7.0068 -1.5526 -1.5526 0.2628 0.2628 0.4823 0.4823 4.3779 4.3779 5.2289 5.2289 5.5765 5.5765 6.0353 6.0353 6.5895 6.5895 7.2037 7.2037 8.0530 8.0530 8.1908 8.1908 8.8394 8.8394 9.5727 9.5727 9.9174 9.9174 9.9780 9.9780 10.2141 10.2141 12.5494 12.5494 17.3389 17.3389 k = 0.3000 0.5000-0.0000 ( 2274 PWs) bands (ev): -15.0026 -15.0026 -7.7783 -7.7783 -7.2066 -7.2066 -7.0202 -7.0202 -1.5574 -1.5574 0.2487 0.2487 0.4845 0.4845 4.3564 4.3564 5.1935 5.1935 5.5282 5.5282 6.0524 6.0524 6.5629 6.5629 7.1585 7.1585 8.0879 8.0879 8.2178 8.2178 8.8857 8.8857 9.6081 9.6081 9.9136 9.9136 9.9738 9.9738 10.2253 10.2253 12.6183 12.6183 17.3826 17.3826 k = 0.3125 0.5000-0.0000 ( 2274 PWs) bands (ev): -14.9988 -14.9988 -7.7533 -7.7533 -7.2165 -7.2165 -7.0345 -7.0345 -1.5621 -1.5621 0.2350 0.2350 0.4870 0.4870 4.3341 4.3341 5.1604 5.1604 5.4825 5.4825 6.0701 6.0701 6.5368 6.5368 7.1143 7.1143 8.1212 8.1212 8.2461 8.2461 8.9286 8.9286 9.6416 9.6416 9.9106 9.9106 9.9703 9.9703 10.2352 10.2352 12.6850 12.6850 17.4259 17.4259 k = 0.3250 0.5000-0.0000 ( 2274 PWs) bands (ev): -14.9952 -14.9952 -7.7278 -7.7278 -7.2260 -7.2260 -7.0496 -7.0496 -1.5667 -1.5667 0.2218 0.2218 0.4897 0.4897 4.3115 4.3115 5.1296 5.1296 5.4393 5.4393 6.0884 6.0884 6.5117 6.5117 7.0711 7.0711 8.1526 8.1526 8.2752 8.2752 8.9681 8.9681 9.6731 9.6731 9.9082 9.9082 9.9676 9.9676 10.2439 10.2439 12.7489 12.7489 17.4686 17.4686 k = 0.3375 0.5000-0.0000 ( 2270 PWs) bands (ev): -14.9916 -14.9916 -7.7019 -7.7019 -7.2351 -7.2351 -7.0654 -7.0654 -1.5710 -1.5710 0.2092 0.2092 0.4925 0.4925 4.2887 4.2887 5.1014 5.1014 5.3987 5.3987 6.1073 6.1073 6.4876 6.4876 7.0291 7.0291 8.1822 8.1822 8.3046 8.3046 9.0041 9.0041 9.7026 9.7026 9.9064 9.9064 9.9660 9.9660 10.2517 10.2517 12.8098 12.8098 17.5104 17.5104 k = 0.3500 0.5000-0.0000 ( 2270 PWs) bands (ev): -14.9883 -14.9883 -7.6758 -7.6758 -7.2439 -7.2439 -7.0820 -7.0820 -1.5752 -1.5752 0.1973 0.1973 0.4954 0.4954 4.2659 4.2659 5.0757 5.0757 5.3609 5.3609 6.1267 6.1267 6.4645 6.4645 6.9882 6.9882 8.2101 8.2101 8.3337 8.3337 9.0366 9.0366 9.7300 9.7300 9.9050 9.9050 9.9654 9.9654 10.2584 10.2584 12.8673 12.8673 17.5509 17.5509 k = 0.3625 0.5000-0.0000 ( 2278 PWs) bands (ev): -14.9851 -14.9851 -7.6494 -7.6494 -7.2522 -7.2522 -7.0995 -7.0995 -1.5791 -1.5791 0.1862 0.1862 0.4983 0.4983 4.2435 4.2435 5.0526 5.0526 5.3258 5.3258 6.1464 6.1464 6.4428 6.4428 6.9485 6.9485 8.2361 8.2361 8.3620 8.3620 9.0656 9.0656 9.7553 9.7553 9.9039 9.9039 9.9661 9.9661 10.2642 10.2642 12.9211 12.9211 17.5899 17.5899 k = 0.3750 0.5000-0.0000 ( 2282 PWs) bands (ev): -14.9821 -14.9821 -7.6228 -7.6228 -7.2599 -7.2599 -7.1176 -7.1176 -1.5828 -1.5828 0.1759 0.1759 0.5012 0.5012 4.2217 4.2217 5.0320 5.0320 5.2936 5.2936 6.1665 6.1665 6.4225 6.4225 6.9102 6.9102 8.2603 8.2603 8.3891 8.3891 9.0912 9.0912 9.7782 9.7782 9.9030 9.9030 9.9678 9.9678 10.2692 10.2692 12.9711 12.9711 17.6269 17.6269 k = 0.3875 0.5000-0.0000 ( 2272 PWs) bands (ev): -14.9793 -14.9793 -7.5961 -7.5961 -7.2671 -7.2671 -7.1364 -7.1364 -1.5862 -1.5862 0.1665 0.1665 0.5039 0.5039 4.2010 4.2010 5.0139 5.0139 5.2643 5.2643 6.1868 6.1868 6.4037 6.4037 6.8735 6.8735 8.2825 8.2825 8.4146 8.4146 9.1135 9.1135 9.7989 9.7989 9.9024 9.9024 9.9707 9.9707 10.2737 10.2737 13.0170 13.0170 17.6617 17.6617 k = 0.4000 0.5000-0.0000 ( 2272 PWs) bands (ev): -14.9768 -14.9768 -7.5695 -7.5695 -7.2737 -7.2737 -7.1559 -7.1559 -1.5893 -1.5893 0.1580 0.1580 0.5065 0.5065 4.1814 4.1814 4.9980 4.9980 5.2379 5.2379 6.2071 6.2071 6.3866 6.3866 6.8384 6.8384 8.3028 8.3028 8.4381 8.4381 9.1327 9.1327 9.8172 9.8172 9.9019 9.9019 9.9744 9.9744 10.2774 10.2774 13.0586 13.0586 17.6736 17.6736 k = 0.4125 0.5000-0.0000 ( 2272 PWs) bands (ev): -14.9745 -14.9745 -7.5430 -7.5430 -7.2797 -7.2797 -7.1760 -7.1760 -1.5921 -1.5921 0.1504 0.1504 0.5089 0.5089 4.1635 4.1635 4.9843 4.9843 5.2145 5.2145 6.2272 6.2272 6.3713 6.3713 6.8052 6.8052 8.3210 8.3210 8.4595 8.4595 9.1489 9.1489 9.8330 9.8330 9.9017 9.9017 9.9786 9.9786 10.2806 10.2806 13.0956 13.0956 17.6421 17.6421 k = 0.4250 0.5000-0.0000 ( 2272 PWs) bands (ev): -14.9725 -14.9725 -7.5167 -7.5167 -7.2851 -7.2851 -7.1964 -7.1964 -1.5945 -1.5945 0.1438 0.1438 0.5111 0.5111 4.1473 4.1473 4.9727 4.9727 5.1941 5.1941 6.2467 6.2467 6.3579 6.3579 6.7743 6.7743 8.3370 8.3370 8.4784 8.4784 9.1624 9.1624 9.8462 9.8462 9.9019 9.9019 9.9832 9.9832 10.2832 10.2832 13.1280 13.1280 17.6144 17.6144 k = 0.4375 0.5000-0.0000 ( 2268 PWs) bands (ev): -14.9708 -14.9708 -7.4910 -7.4910 -7.2898 -7.2898 -7.2171 -7.2171 -1.5966 -1.5966 0.1381 0.1381 0.5130 0.5130 4.1333 4.1333 4.9631 4.9631 5.1768 5.1768 6.2652 6.2652 6.3465 6.3465 6.7460 6.7460 8.3507 8.3507 8.4948 8.4948 9.1735 9.1735 9.8567 9.8567 9.9028 9.9028 9.9876 9.9876 10.2854 10.2854 13.1557 13.1557 17.5908 17.5908 k = 0.4500 0.5000-0.0000 ( 2268 PWs) bands (ev): -14.9694 -14.9694 -7.4660 -7.4660 -7.2941 -7.2941 -7.2375 -7.2375 -1.5983 -1.5983 0.1335 0.1335 0.5146 0.5146 4.1214 4.1214 4.9555 4.9555 5.1626 5.1626 6.2820 6.2820 6.3372 6.3372 6.7210 6.7210 8.3621 8.3621 8.5083 8.5083 9.1822 9.1822 9.8644 9.8644 9.9042 9.9042 9.9917 9.9917 10.2871 10.2871 13.1785 13.1785 17.5713 17.5713 k = 0.4625 0.5000-0.0000 ( 2268 PWs) bands (ev): -14.9683 -14.9683 -7.4423 -7.4423 -7.2982 -7.2982 -7.2569 -7.2569 -1.5997 -1.5997 0.1299 0.1299 0.5159 0.5159 4.1121 4.1121 4.9495 4.9495 5.1515 5.1515 6.2963 6.2963 6.3303 6.3303 6.7001 6.7001 8.3710 8.3710 8.5190 8.5190 9.1888 9.1888 9.8695 9.8695 9.9062 9.9062 9.9951 9.9951 10.2884 10.2884 13.1963 13.1963 17.5560 17.5560 k = 0.4750 0.5000-0.0000 ( 2272 PWs) bands (ev): -14.9675 -14.9675 -7.4211 -7.4211 -7.3029 -7.3029 -7.2733 -7.2733 -1.6006 -1.6006 0.1273 0.1273 0.5168 0.5168 4.1053 4.1053 4.9453 4.9453 5.1436 5.1436 6.3066 6.3066 6.3262 6.3262 6.6841 6.6841 8.3775 8.3775 8.5267 8.5267 9.1933 9.1933 9.8727 9.8727 9.9081 9.9081 9.9977 9.9977 10.2893 10.2893 13.2090 13.2090 17.5451 17.5451 k = 0.4875 0.5000-0.0000 ( 2292 PWs) bands (ev): -14.9670 -14.9670 -7.4048 -7.4048 -7.3089 -7.3089 -7.2835 -7.2835 -1.6012 -1.6012 0.1257 0.1257 0.5173 0.5173 4.1012 4.1012 4.9428 4.9428 5.1388 5.1388 6.3114 6.3114 6.3256 6.3256 6.6739 6.6739 8.3813 8.3813 8.5314 8.5314 9.1960 9.1960 9.8742 9.8742 9.9093 9.9093 9.9992 9.9992 10.2898 10.2898 13.2166 13.2166 17.5385 17.5385 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -14.9668 -14.9668 -7.3982 -7.3982 -7.3124 -7.3124 -7.2865 -7.2865 -1.6014 -1.6014 0.1252 0.1252 0.5175 0.5175 4.0998 4.0998 4.9420 4.9420 5.1372 5.1372 6.3123 6.3123 6.3261 6.3261 6.6705 6.6705 8.3826 8.3826 8.5329 8.5329 9.1969 9.1969 9.8747 9.8747 9.9098 9.9098 9.9997 9.9997 10.2900 10.2900 13.2191 13.2191 17.5363 17.5363 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -14.9668 -14.9668 -7.3982 -7.3982 -7.3124 -7.3124 -7.2865 -7.2865 -1.6014 -1.6014 0.1252 0.1252 0.5175 0.5175 4.0998 4.0998 4.9420 4.9420 5.1372 5.1372 6.3123 6.3123 6.3261 6.3261 6.6705 6.6705 8.3826 8.3826 8.5329 8.5329 9.1969 9.1969 9.8747 9.8747 9.9098 9.9098 9.9997 9.9997 10.2900 10.2900 13.2191 13.2191 17.5363 17.5363 k = 0.4912 0.4912-0.0000 ( 2284 PWs) bands (ev): -14.9670 -14.9670 -7.4047 -7.4047 -7.3090 -7.3090 -7.2835 -7.2835 -1.6012 -1.6012 0.1257 0.1257 0.5173 0.5173 4.1012 4.1012 4.9428 4.9428 5.1388 5.1388 6.3115 6.3115 6.3255 6.3255 6.6739 6.6739 8.3813 8.3813 8.5314 8.5314 9.1960 9.1960 9.8743 9.8743 9.9094 9.9094 9.9993 9.9993 10.2898 10.2898 13.2167 13.2167 17.5384 17.5384 k = 0.4825 0.4825-0.0000 ( 2272 PWs) bands (ev): -14.9675 -14.9675 -7.4207 -7.4207 -7.3033 -7.3033 -7.2732 -7.2732 -1.6007 -1.6007 0.1272 0.1272 0.5168 0.5168 4.1052 4.1052 4.9453 4.9453 5.1435 5.1435 6.3075 6.3075 6.3254 6.3254 6.6839 6.6839 8.3774 8.3774 8.5270 8.5270 9.1934 9.1934 9.8729 9.8729 9.9079 9.9079 9.9977 9.9977 10.2893 10.2893 13.2092 13.2092 17.5447 17.5447 k = 0.4737 0.4737-0.0000 ( 2272 PWs) bands (ev): -14.9683 -14.9683 -7.4414 -7.4414 -7.2994 -7.2994 -7.2566 -7.2566 -1.5997 -1.5997 0.1298 0.1298 0.5159 0.5159 4.1120 4.1120 4.9494 4.9494 5.1513 5.1513 6.2989 6.2989 6.3278 6.3278 6.6997 6.6997 8.3706 8.3706 8.5199 8.5199 9.1891 9.1891 9.8705 9.8705 9.9053 9.9053 9.9949 9.9949 10.2884 10.2884 13.1967 13.1967 17.5546 17.5546 k = 0.4649 0.4649-0.0000 ( 2272 PWs) bands (ev): -14.9694 -14.9694 -7.4643 -7.4643 -7.2963 -7.2963 -7.2370 -7.2370 -1.5984 -1.5984 0.1333 0.1333 0.5146 0.5146 4.1213 4.1213 4.9550 4.9550 5.1623 5.1623 6.2869 6.2869 6.3325 6.3325 6.7205 6.7205 8.3607 8.3607 8.5108 8.5108 9.1830 9.1830 9.8671 9.8671 9.9018 9.9018 9.9911 9.9911 10.2871 10.2871 13.1792 13.1792 17.5669 17.5669 k = 0.4561 0.4561-0.0000 ( 2264 PWs) bands (ev): -14.9708 -14.9708 -7.4883 -7.4883 -7.2933 -7.2933 -7.2163 -7.2163 -1.5968 -1.5968 0.1377 0.1377 0.5130 0.5130 4.1333 4.1333 4.9623 4.9623 5.1765 5.1765 6.2727 6.2727 6.3391 6.3391 6.7454 6.7454 8.3471 8.3471 8.5003 8.5003 9.1752 9.1752 9.8628 9.8628 9.8972 9.8972 9.9862 9.9862 10.2855 10.2855 13.1569 13.1569 17.5795 17.5795 k = 0.4474 0.4474-0.0000 ( 2272 PWs) bands (ev): -14.9725 -14.9725 -7.5127 -7.5127 -7.2901 -7.2901 -7.1954 -7.1954 -1.5949 -1.5949 0.1431 0.1431 0.5111 0.5111 4.1478 4.1478 4.9712 4.9712 5.1937 5.1937 6.2573 6.2573 6.3473 6.3473 6.7736 6.7736 8.3294 8.3294 8.4892 8.4892 9.1659 9.1659 9.8575 9.8575 9.8916 9.8916 9.9802 9.9802 10.2834 10.2834 13.1298 13.1298 17.5883 17.5883 k = 0.4386 0.4386-0.0000 ( 2276 PWs) bands (ev): -14.9746 -14.9746 -7.5372 -7.5372 -7.2864 -7.2864 -7.1747 -7.1747 -1.5927 -1.5927 0.1493 0.1493 0.5089 0.5089 4.1647 4.1647 4.9816 4.9816 5.2142 5.2142 6.2414 6.2414 6.3572 6.3572 6.8044 6.8044 8.3076 8.3076 8.4780 8.4780 9.1549 9.1549 9.8513 9.8513 9.8850 9.8850 9.9731 9.9731 10.2810 10.2810 13.0981 13.0981 17.5878 17.5878 k = 0.4298 0.4298-0.0000 ( 2286 PWs) bands (ev): -14.9769 -14.9769 -7.5617 -7.5617 -7.2823 -7.2823 -7.1546 -7.1546 -1.5902 -1.5902 0.1563 0.1563 0.5065 0.5065 4.1839 4.1839 4.9936 4.9936 5.2379 5.2379 6.2253 6.2253 6.3685 6.3685 6.8375 6.8375 8.2815 8.2815 8.4671 8.4671 9.1424 9.1424 9.8440 9.8440 9.8774 9.8774 9.9649 9.9649 10.2780 10.2780 13.0620 13.0620 17.5737 17.5737 k = 0.4211 0.4211-0.0000 ( 2274 PWs) bands (ev): -14.9796 -14.9796 -7.5860 -7.5860 -7.2777 -7.2777 -7.1352 -7.1352 -1.5876 -1.5876 0.1639 0.1639 0.5039 0.5039 4.2054 4.2054 5.0072 5.0072 5.2648 5.2648 6.2095 6.2095 6.3815 6.3815 6.8725 6.8725 8.2516 8.2516 8.4568 8.4568 9.1285 9.1285 9.8360 9.8360 9.8688 9.8688 9.9557 9.9557 10.2747 10.2747 13.0217 13.0217 17.5465 17.5465 k = 0.4123 0.4123-0.0000 ( 2272 PWs) bands (ev): -14.9825 -14.9825 -7.6099 -7.6099 -7.2727 -7.2727 -7.1165 -7.1165 -1.5849 -1.5849 0.1722 0.1722 0.5011 0.5011 4.2290 4.2290 5.0223 5.0223 5.2950 5.2950 6.1943 6.1943 6.3959 6.3959 6.9090 6.9090 8.2183 8.2183 8.4469 8.4469 9.1133 9.1133 9.8269 9.8269 9.8593 9.8593 9.9454 9.9454 10.2708 10.2708 12.9773 12.9773 17.5096 17.5096 k = 0.4035 0.4035-0.0000 ( 2272 PWs) bands (ev): -14.9858 -14.9858 -7.6334 -7.6334 -7.2672 -7.2672 -7.0987 -7.0987 -1.5820 -1.5820 0.1809 0.1809 0.4981 0.4981 4.2547 4.2547 5.0388 5.0388 5.3284 5.3284 6.1797 6.1797 6.4119 6.4119 6.9468 6.9468 8.1822 8.1822 8.4374 8.4374 9.0968 9.0968 9.8170 9.8170 9.8487 9.8487 9.9341 9.9341 10.2664 10.2664 12.9289 12.9289 17.4656 17.4656 k = 0.3947 0.3947-0.0000 ( 2270 PWs) bands (ev): -14.9893 -14.9893 -7.6562 -7.6562 -7.2613 -7.2613 -7.0818 -7.0818 -1.5791 -1.5791 0.1900 0.1900 0.4952 0.4952 4.2822 4.2822 5.0569 5.0569 5.3650 5.3650 6.1659 6.1659 6.4293 6.4293 6.9858 6.9858 8.1440 8.1440 8.4282 8.4282 9.0791 9.0791 9.8061 9.8061 9.8372 9.8372 9.9217 9.9217 10.2615 10.2615 12.8767 12.8767 17.4163 17.4163 k = 0.3860 0.3860-0.0000 ( 2270 PWs) bands (ev): -14.9931 -14.9931 -7.6785 -7.6785 -7.2549 -7.2549 -7.0659 -7.0659 -1.5763 -1.5763 0.1993 0.1993 0.4922 0.4922 4.3116 4.3116 5.0764 5.0764 5.4048 5.4048 6.1531 6.1531 6.4482 6.4482 7.0258 7.0258 8.1043 8.1043 8.4193 8.4193 9.0604 9.0604 9.7943 9.7943 9.8248 9.8248 9.9084 9.9084 10.2561 10.2561 12.8211 12.8211 17.3628 17.3628 k = 0.3772 0.3772-0.0000 ( 2270 PWs) bands (ev): -14.9972 -14.9972 -7.7000 -7.7000 -7.2481 -7.2481 -7.0509 -7.0509 -1.5735 -1.5735 0.2085 0.2085 0.4893 0.4893 4.3427 4.3427 5.0973 5.0973 5.4478 5.4478 6.1412 6.1412 6.4685 6.4685 7.0666 7.0666 8.0639 8.0639 8.4104 8.4104 9.0408 9.0408 9.7816 9.7816 9.8114 9.8114 9.8941 9.8941 10.2502 10.2502 12.7621 12.7621 17.3057 17.3057 k = 0.3684 0.3684-0.0000 ( 2276 PWs) bands (ev): -15.0015 -15.0015 -7.7208 -7.7208 -7.2409 -7.2409 -7.0370 -7.0370 -1.5709 -1.5709 0.2177 0.2177 0.4865 0.4865 4.3754 4.3754 5.1196 5.1196 5.4939 5.4939 6.1304 6.1304 6.4902 6.4902 7.1081 7.1081 8.0233 8.0233 8.4017 8.4017 9.0203 9.0203 9.7680 9.7680 9.7970 9.7970 9.8788 9.8788 10.2436 10.2436 12.7000 12.7000 17.2456 17.2456 k = 0.3596 0.3596-0.0000 ( 2280 PWs) bands (ev): -15.0061 -15.0061 -7.7407 -7.7407 -7.2333 -7.2333 -7.0241 -7.0241 -1.5684 -1.5684 0.2265 0.2265 0.4840 0.4840 4.4096 4.4096 5.1431 5.1431 5.5431 5.5431 6.1206 6.1206 6.5134 6.5134 7.1502 7.1502 7.9831 7.9831 8.3930 8.3930 8.9992 8.9992 9.7535 9.7535 9.7817 9.7817 9.8625 9.8625 10.2365 10.2365 12.6350 12.6350 17.1829 17.1829 k = 0.3509 0.3509-0.0000 ( 2276 PWs) bands (ev): -15.0109 -15.0109 -7.7597 -7.7597 -7.2253 -7.2253 -7.0121 -7.0121 -1.5662 -1.5662 0.2348 0.2348 0.4817 0.4817 4.4453 4.4453 5.1680 5.1680 5.5953 5.5953 6.1120 6.1120 6.5379 6.5379 7.1929 7.1929 7.9439 7.9439 8.3843 8.3843 8.9775 8.9775 9.7382 9.7382 9.7656 9.7656 9.8455 9.8455 10.2289 10.2289 12.5672 12.5672 17.1179 17.1179 k = 0.3421 0.3421-0.0000 ( 2268 PWs) bands (ev): -15.0160 -15.0160 -7.7779 -7.7779 -7.2170 -7.2170 -7.0012 -7.0012 -1.5642 -1.5642 0.2423 0.2423 0.4797 0.4797 4.4825 4.4825 5.1942 5.1942 5.6504 5.6504 6.1046 6.1046 6.5638 6.5638 7.2359 7.2359 7.9062 7.9062 8.3756 8.3756 8.9554 8.9554 9.7220 9.7220 9.7486 9.7486 9.8275 9.8275 10.2206 10.2206 12.4970 12.4970 17.0510 17.0510 k = 0.3333 0.3333-0.0000 ( 2268 PWs) bands (ev): -15.0213 -15.0213 -7.7951 -7.7951 -7.2083 -7.2083 -6.9912 -6.9912 -1.5626 -1.5626 0.2490 0.2490 0.4781 0.4781 4.5210 4.5210 5.2215 5.2215 5.7082 5.7082 6.0983 6.0983 6.5911 6.5911 7.2792 7.2792 7.8706 7.8706 8.3670 8.3670 8.9330 8.9330 9.7049 9.7049 9.7308 9.7308 9.8087 9.8087 10.2118 10.2118 12.4244 12.4244 16.9822 16.9822 k = 0.3246 0.3246-0.0000 ( 2268 PWs) bands (ev): -15.0268 -15.0268 -7.8113 -7.8113 -7.1993 -7.1993 -6.9822 -6.9822 -1.5614 -1.5614 0.2546 0.2546 0.4768 0.4768 4.5609 4.5609 5.2499 5.2499 5.7686 5.7686 6.0932 6.0932 6.6197 6.6197 7.3227 7.3227 7.8375 7.8375 8.3584 8.3584 8.9106 8.9106 9.6868 9.6868 9.7121 9.7121 9.7890 9.7890 10.2023 10.2023 12.3496 12.3496 16.9119 16.9119 k = 0.3158 0.3158-0.0000 ( 2272 PWs) bands (ev): -15.0325 -15.0325 -7.8265 -7.8265 -7.1900 -7.1900 -6.9740 -6.9740 -1.5606 -1.5606 0.2591 0.2591 0.4758 0.4758 4.6021 4.6021 5.2794 5.2794 5.8312 5.8312 6.0894 6.0894 6.6496 6.6496 7.3663 7.3663 7.8073 7.8073 8.3499 8.3499 8.8881 8.8881 9.6678 9.6678 9.6927 9.6927 9.7686 9.7686 10.1923 10.1923 12.2729 12.2729 16.8403 16.8403 k = 0.3070 0.3070-0.0000 ( 2270 PWs) bands (ev): -15.0384 -15.0384 -7.8407 -7.8407 -7.1805 -7.1805 -6.9668 -6.9668 -1.5603 -1.5603 0.2624 0.2624 0.4750 0.4750 4.6447 4.6447 5.3099 5.3099 5.8958 5.8958 6.0871 6.0871 6.6808 6.6808 7.4100 7.4100 7.7806 7.7806 8.3415 8.3415 8.8659 8.8659 9.6479 9.6479 9.6727 9.6727 9.7475 9.7475 10.1816 10.1816 12.1944 12.1944 16.7675 16.7675 k = 0.2982 0.2982-0.0000 ( 2274 PWs) bands (ev): -15.0445 -15.0445 -7.8539 -7.8539 -7.1707 -7.1707 -6.9603 -6.9603 -1.5604 -1.5604 0.2645 0.2645 0.4742 0.4742 4.6886 4.6886 5.3413 5.3413 5.9614 5.9614 6.0870 6.0870 6.7133 6.7133 7.4536 7.4536 7.7577 7.7577 8.3332 8.3332 8.8441 8.8441 9.6268 9.6268 9.6520 9.6520 9.7257 9.7257 10.1703 10.1703 12.1142 12.1142 16.6937 16.6937 k = 0.2895 0.2895-0.0000 ( 2272 PWs) bands (ev): -15.0506 -15.0506 -7.8661 -7.8661 -7.1607 -7.1607 -6.9547 -6.9547 -1.5611 -1.5611 0.2653 0.2653 0.4734 0.4734 4.7338 4.7338 5.3736 5.3736 6.0241 6.0241 6.0927 6.0927 6.7469 6.7469 7.4971 7.4971 7.7389 7.7389 8.3251 8.3251 8.8227 8.8227 9.6047 9.6047 9.6308 9.6308 9.7033 9.7033 10.1583 10.1583 12.0326 12.0326 16.6190 16.6190 k = 0.2807 0.2807-0.0000 ( 2272 PWs) bands (ev): -15.0570 -15.0570 -7.8772 -7.8772 -7.1505 -7.1505 -6.9497 -6.9497 -1.5623 -1.5623 0.2651 0.2651 0.4723 0.4723 4.7804 4.7804 5.4067 5.4067 6.0634 6.0634 6.1245 6.1245 6.7818 6.7818 7.5404 7.5404 7.7247 7.7247 8.3171 8.3171 8.8021 8.8021 9.5815 9.5815 9.6091 9.6091 9.6804 9.6804 10.1458 10.1458 11.9497 11.9497 16.5436 16.5436 k = 0.2719 0.2719-0.0000 ( 2272 PWs) bands (ev): -15.0634 -15.0634 -7.8874 -7.8874 -7.1402 -7.1402 -6.9454 -6.9454 -1.5640 -1.5640 0.2639 0.2639 0.4706 0.4706 4.8284 4.8284 5.4405 5.4405 6.0734 6.0734 6.1880 6.1880 6.8178 6.8178 7.5833 7.5833 7.7153 7.7153 8.3092 8.3092 8.7823 8.7823 9.5571 9.5571 9.5868 9.5868 9.6570 9.6570 10.1325 10.1325 11.8656 11.8656 16.4676 16.4676 k = 0.2632 0.2632-0.0000 ( 2274 PWs) bands (ev): -15.0700 -15.0700 -7.8966 -7.8966 -7.1297 -7.1297 -6.9417 -6.9417 -1.5663 -1.5663 0.2617 0.2617 0.4683 0.4683 4.8777 4.8777 5.4749 5.4749 6.0776 6.0776 6.2593 6.2593 6.8550 6.8550 7.6256 7.6256 7.7111 7.7111 8.3015 8.3015 8.7635 8.7635 9.5316 9.5316 9.5641 9.5641 9.6333 9.6333 10.1186 10.1186 11.7805 11.7805 16.3912 16.3912 k = 0.2544 0.2544-0.0000 ( 2280 PWs) bands (ev): -15.0766 -15.0766 -7.9049 -7.9049 -7.1192 -7.1192 -6.9386 -6.9386 -1.5692 -1.5692 0.2588 0.2588 0.4650 0.4650 4.9284 4.9284 5.5098 5.5098 6.0813 6.0813 6.3330 6.3330 6.8932 6.8932 7.6669 7.6669 7.7128 7.7128 8.2941 8.2941 8.7460 8.7460 9.5048 9.5048 9.5408 9.5408 9.6094 9.6094 10.1040 10.1040 11.6945 11.6945 16.3143 16.3143 k = 0.2456 0.2456-0.0000 ( 2286 PWs) bands (ev): -15.0832 -15.0832 -7.9122 -7.9122 -7.1086 -7.1086 -6.9360 -6.9360 -1.5726 -1.5726 0.2553 0.2553 0.4607 0.4607 4.9805 4.9805 5.5452 5.5452 6.0852 6.0852 6.4078 6.4078 6.9325 6.9325 7.7034 7.7034 7.7241 7.7241 8.2868 8.2868 8.7298 8.7298 9.4770 9.4770 9.5169 9.5169 9.5853 9.5853 10.0888 10.0888 11.6077 11.6077 16.2373 16.2373 k = 0.2368 0.2368-0.0000 ( 2282 PWs) bands (ev): -15.0899 -15.0899 -7.9187 -7.9187 -7.0979 -7.0979 -6.9337 -6.9337 -1.5765 -1.5765 0.2512 0.2512 0.4552 0.4552 5.0338 5.0338 5.5808 5.5808 6.0897 6.0897 6.4832 6.4832 6.9729 6.9729 7.7245 7.7245 7.7559 7.7559 8.2797 8.2797 8.7151 8.7151 9.4482 9.4482 9.4923 9.4923 9.5613 9.5613 10.0729 10.0729 11.5204 11.5204 16.1600 16.1600 k = 0.2281 0.2281-0.0000 ( 2286 PWs) bands (ev): -15.0966 -15.0966 -7.9243 -7.9243 -7.0873 -7.0873 -6.9319 -6.9319 -1.5810 -1.5810 0.2466 0.2466 0.4485 0.4485 5.0883 5.0883 5.6167 5.6167 6.0949 6.0949 6.5586 6.5586 7.0142 7.0142 7.7431 7.7431 7.7950 7.7950 8.2729 8.2729 8.7022 8.7022 9.4182 9.4182 9.4670 9.4670 9.5373 9.5373 10.0563 10.0563 11.4325 11.4325 16.0828 16.0828 k = 0.2193 0.2193-0.0000 ( 2285 PWs) bands (ev): -15.1033 -15.1033 -7.9292 -7.9292 -7.0766 -7.0766 -6.9304 -6.9304 -1.5860 -1.5860 0.2417 0.2417 0.4404 0.4404 5.1440 5.1440 5.6527 5.6527 6.1007 6.1007 6.6340 6.6340 7.0566 7.0566 7.7662 7.7662 7.8344 7.8344 8.2663 8.2663 8.6911 8.6911 9.3871 9.3871 9.4409 9.4409 9.5137 9.5137 10.0390 10.0390 11.3444 11.3444 16.0057 16.0057 k = 0.2105 0.2105-0.0000 ( 2281 PWs) bands (ev): -15.1100 -15.1100 -7.9332 -7.9332 -7.0661 -7.0661 -6.9291 -6.9291 -1.5915 -1.5915 0.2365 0.2365 0.4310 0.4310 5.2006 5.2006 5.6886 5.6886 6.1070 6.1070 6.7090 6.7090 7.0998 7.0998 7.7944 7.7944 7.8735 7.8735 8.2599 8.2599 8.6820 8.6820 9.3550 9.3550 9.4141 9.4141 9.4904 9.4904 10.0211 10.0211 11.2560 11.2560 15.9288 15.9288 k = 0.2018 0.2018-0.0000 ( 2285 PWs) bands (ev): -15.1166 -15.1166 -7.9366 -7.9366 -7.0556 -7.0556 -6.9280 -6.9280 -1.5974 -1.5974 0.2311 0.2311 0.4204 0.4204 5.2581 5.2581 5.7244 5.7244 6.1140 6.1140 6.7833 6.7833 7.1439 7.1439 7.8279 7.8279 7.9118 7.9118 8.2537 8.2537 8.6751 8.6751 9.3218 9.3218 9.3864 9.3864 9.4675 9.4675 10.0024 10.0024 11.1675 11.1675 15.8522 15.8522 k = 0.1930 0.1930-0.0000 ( 2285 PWs) bands (ev): -15.1232 -15.1232 -7.9394 -7.9394 -7.0453 -7.0453 -6.9271 -6.9271 -1.6038 -1.6038 0.2256 0.2256 0.4085 0.4085 5.3162 5.3162 5.7599 5.7599 6.1216 6.1216 6.8569 6.8569 7.1888 7.1888 7.8663 7.8663 7.9492 7.9492 8.2478 8.2478 8.6704 8.6704 9.2876 9.2876 9.3580 9.3580 9.4451 9.4451 9.9831 9.9831 11.0791 11.0791 15.7762 15.7762 k = 0.1842 0.1842-0.0000 ( 2281 PWs) bands (ev): -15.1296 -15.1296 -7.9415 -7.9415 -7.0352 -7.0352 -6.9263 -6.9263 -1.6105 -1.6105 0.2201 0.2201 0.3955 0.3955 5.3746 5.3746 5.7951 5.7951 6.1297 6.1297 6.9297 6.9297 7.2345 7.2345 7.9094 7.9094 7.9859 7.9859 8.2422 8.2422 8.6680 8.6680 9.2525 9.2525 9.3289 9.3289 9.4233 9.4233 9.9631 9.9631 10.9907 10.9907 15.7007 15.7007 k = 0.1754 0.1754-0.0000 ( 2281 PWs) bands (ev): -15.1359 -15.1359 -7.9432 -7.9432 -7.0252 -7.0252 -6.9256 -6.9256 -1.6175 -1.6175 0.2145 0.2145 0.3815 0.3815 5.4331 5.4331 5.8297 5.8297 6.1383 6.1383 7.0015 7.0015 7.2810 7.2810 7.9566 7.9566 8.0216 8.0216 8.2369 8.2369 8.6682 8.6682 9.2163 9.2163 9.2993 9.2993 9.4020 9.4020 9.9425 9.9425 10.9026 10.9026 15.6262 15.6262 k = 0.1667 0.1667-0.0000 ( 2277 PWs) bands (ev): -15.1421 -15.1421 -7.9443 -7.9443 -7.0155 -7.0155 -6.9249 -6.9249 -1.6249 -1.6249 0.2089 0.2089 0.3666 0.3666 5.4913 5.4913 5.8638 5.8638 6.1473 6.1473 7.0725 7.0725 7.3281 7.3281 8.0071 8.0071 8.0566 8.0566 8.2319 8.2319 8.6708 8.6708 9.1792 9.1792 9.2691 9.2691 9.3814 9.3814 9.9212 9.9212 10.8149 10.8149 15.5526 15.5526 k = 0.1579 0.1579-0.0000 ( 2279 PWs) bands (ev): -15.1481 -15.1481 -7.9450 -7.9450 -7.0060 -7.0060 -6.9242 -6.9242 -1.6325 -1.6325 0.2034 0.2034 0.3510 0.3510 5.5490 5.5490 5.8971 5.8971 6.1568 6.1568 7.1426 7.1426 7.3759 7.3759 8.0596 8.0596 8.0915 8.0915 8.2273 8.2273 8.6761 8.6761 9.1412 9.1412 9.2387 9.2387 9.3613 9.3613 9.8992 9.8992 10.7276 10.7276 15.4802 15.4802 k = 0.1491 0.1491-0.0000 ( 2277 PWs) bands (ev): -15.1539 -15.1539 -7.9454 -7.9454 -6.9968 -6.9968 -6.9236 -6.9236 -1.6402 -1.6402 0.1980 0.1980 0.3350 0.3350 5.6056 5.6056 5.9297 5.9297 6.1667 6.1667 7.2119 7.2119 7.4243 7.4243 8.1089 8.1089 8.1308 8.1308 8.2231 8.2231 8.6839 8.6839 9.1023 9.1023 9.2081 9.2081 9.3420 9.3420 9.8765 9.8765 10.6409 10.6409 15.4092 15.4092 k = 0.1404 0.1404-0.0000 ( 2277 PWs) bands (ev): -15.1595 -15.1595 -7.9454 -7.9454 -6.9880 -6.9880 -6.9229 -6.9229 -1.6481 -1.6481 0.1928 0.1928 0.3185 0.3185 5.6608 5.6608 5.9614 5.9614 6.1770 6.1770 7.2805 7.2805 7.4732 7.4732 8.1459 8.1459 8.1821 8.1821 8.2199 8.2199 8.6944 8.6944 9.0625 9.0625 9.1777 9.1777 9.3234 9.3234 9.8533 9.8533 10.5550 10.5550 15.3398 15.3398 k = 0.1316 0.1316-0.0000 ( 2277 PWs) bands (ev): -15.1649 -15.1649 -7.9452 -7.9452 -6.9795 -6.9795 -6.9222 -6.9222 -1.6560 -1.6560 0.1877 0.1877 0.3020 0.3020 5.7140 5.7140 5.9924 5.9924 6.1876 6.1876 7.3486 7.3486 7.5226 7.5226 8.1765 8.1765 8.2145 8.2145 8.2415 8.2415 8.7075 8.7075 9.0220 9.0220 9.1476 9.1476 9.3056 9.3056 9.8295 9.8295 10.4699 10.4699 15.2724 15.2724 k = 0.1228 0.1228-0.0000 ( 2269 PWs) bands (ev): -15.1701 -15.1701 -7.9447 -7.9447 -6.9714 -6.9714 -6.9214 -6.9214 -1.6638 -1.6638 0.1828 0.1828 0.2854 0.2854 5.7647 5.7647 6.0225 6.0225 6.1985 6.1985 7.4161 7.4161 7.5725 7.5725 8.2028 8.2028 8.2145 8.2145 8.2986 8.2986 8.7230 8.7230 8.9807 8.9807 9.1185 9.1185 9.2887 9.2887 9.8052 9.8052 10.3859 10.3859 15.2071 15.2071 k = 0.1140 0.1140-0.0000 ( 2275 PWs) bands (ev): -15.1749 -15.1749 -7.9441 -7.9441 -6.9638 -6.9638 -6.9206 -6.9206 -1.6716 -1.6716 0.1782 0.1782 0.2692 0.2692 5.8123 5.8123 6.0519 6.0519 6.2096 6.2096 7.4832 7.4832 7.6226 7.6226 8.2080 8.2080 8.2332 8.2332 8.3551 8.3551 8.7408 8.7408 8.9387 8.9387 9.0909 9.0909 9.2726 9.2726 9.7803 9.7803 10.3029 10.3029 15.1442 15.1442 k = 0.1053 0.1053-0.0000 ( 2277 PWs) bands (ev): -15.1795 -15.1795 -7.9434 -7.9434 -6.9565 -6.9565 -6.9198 -6.9198 -1.6792 -1.6792 0.1738 0.1738 0.2533 0.2533 5.8564 5.8564 6.0808 6.0808 6.2208 6.2208 7.5497 7.5497 7.6731 7.6731 8.2063 8.2063 8.2575 8.2575 8.4087 8.4087 8.7606 8.7606 8.8962 8.8962 9.0660 9.0660 9.2576 9.2576 9.7550 9.7550 10.2212 10.2212 15.0841 15.0841 k = 0.0965 0.0965-0.0000 ( 2285 PWs) bands (ev): -15.1838 -15.1838 -7.9426 -7.9426 -6.9498 -6.9498 -6.9190 -6.9190 -1.6865 -1.6865 0.1696 0.1696 0.2380 0.2380 5.8964 5.8964 6.1091 6.1091 6.2321 6.2321 7.6157 7.6157 7.7238 7.7238 8.2045 8.2045 8.2803 8.2803 8.4576 8.4576 8.7815 8.7815 8.8538 8.8538 9.0452 9.0452 9.2436 9.2436 9.7292 9.7292 10.1409 10.1409 15.0271 15.0271 k = 0.0877 0.0877-0.0000 ( 2287 PWs) bands (ev): -15.1878 -15.1878 -7.9417 -7.9417 -6.9435 -6.9435 -6.9181 -6.9181 -1.6935 -1.6935 0.1658 0.1658 0.2234 0.2234 5.9318 5.9318 6.1370 6.1370 6.2432 6.2432 7.6811 7.6811 7.7747 7.7747 8.2031 8.2031 8.3014 8.3014 8.4991 8.4991 8.7954 8.7954 8.8194 8.8194 9.0305 9.0305 9.2309 9.2309 9.7032 9.7032 10.0622 10.0622 14.9734 14.9734 k = 0.0789 0.0789-0.0000 ( 2281 PWs) bands (ev): -15.1914 -15.1914 -7.9408 -7.9408 -6.9378 -6.9378 -6.9172 -6.9172 -1.7001 -1.7001 0.1623 0.1623 0.2098 0.2098 5.9626 5.9626 6.1642 6.1642 6.2541 6.2541 7.7457 7.7457 7.8256 7.8256 8.2019 8.2019 8.3207 8.3207 8.5306 8.5306 8.7620 8.7620 8.8332 8.8332 9.0241 9.0241 9.2196 9.2196 9.6771 9.6771 9.9855 9.9855 14.9235 14.9235 k = 0.0702 0.0702-0.0000 ( 2287 PWs) bands (ev): -15.1947 -15.1947 -7.9400 -7.9400 -6.9326 -6.9326 -6.9164 -6.9164 -1.7063 -1.7063 0.1590 0.1590 0.1972 0.1972 5.9889 5.9889 6.1906 6.1906 6.2644 6.2644 7.8093 7.8093 7.8765 7.8765 8.2010 8.2010 8.3380 8.3380 8.5491 8.5491 8.7191 8.7191 8.8578 8.8578 9.0277 9.0277 9.2098 9.2098 9.6508 9.6508 9.9108 9.9108 14.8777 14.8777 k = 0.0614 0.0614-0.0000 ( 2285 PWs) bands (ev): -15.1976 -15.1976 -7.9391 -7.9391 -6.9280 -6.9280 -6.9156 -6.9156 -1.7119 -1.7119 0.1562 0.1562 0.1858 0.1858 6.0107 6.0107 6.2156 6.2156 6.2741 6.2741 7.8717 7.8717 7.9272 7.9272 8.2003 8.2003 8.3532 8.3532 8.5532 8.5532 8.6761 8.6761 8.8849 8.8849 9.0412 9.0412 9.2018 9.2018 9.6247 9.6247 9.8387 9.8387 14.8363 14.8363 k = 0.0526 0.0526-0.0000 ( 2289 PWs) bands (ev): -15.2002 -15.2002 -7.9384 -7.9384 -6.9239 -6.9239 -6.9149 -6.9149 -1.7168 -1.7168 0.1537 0.1537 0.1757 0.1757 6.0286 6.0286 6.2386 6.2386 6.2829 6.2829 7.9325 7.9325 7.9775 7.9775 8.1999 8.1999 8.3660 8.3660 8.5431 8.5431 8.6341 8.6341 8.9140 8.9140 9.0628 9.0628 9.1958 9.1958 9.5990 9.5990 9.7694 9.7694 14.7997 14.7997 k = 0.0439 0.0439-0.0000 ( 2293 PWs) bands (ev): -15.2024 -15.2024 -7.9377 -7.9377 -6.9205 -6.9205 -6.9142 -6.9142 -1.7212 -1.7212 0.1515 0.1515 0.1670 0.1670 6.0430 6.0430 6.2592 6.2592 6.2907 6.2907 7.9911 7.9911 8.0271 8.0271 8.1996 8.1996 8.3763 8.3763 8.5210 8.5210 8.5940 8.5940 8.9439 8.9439 9.0895 9.0895 9.1922 9.1922 9.5743 9.5743 9.7036 9.7036 14.7681 14.7681 k = 0.0351 0.0351-0.0000 ( 2301 PWs) bands (ev): -15.2042 -15.2042 -7.9372 -7.9372 -6.9176 -6.9176 -6.9136 -6.9136 -1.7248 -1.7248 0.1497 0.1497 0.1597 0.1597 6.0541 6.0541 6.2767 6.2767 6.2973 6.2973 8.0469 8.0469 8.0752 8.0752 8.1995 8.1995 8.3835 8.3835 8.4903 8.4903 8.5566 8.5566 8.9728 8.9728 9.1188 9.1188 9.1913 9.1913 9.5511 9.5511 9.6424 9.6424 14.7418 14.7418 k = 0.0263 0.0263-0.0000 ( 2305 PWs) bands (ev): -15.2056 -15.2056 -7.9367 -7.9367 -6.9154 -6.9154 -6.9132 -6.9132 -1.7276 -1.7276 0.1484 0.1484 0.1540 0.1540 6.0625 6.0625 6.2908 6.2908 6.3025 6.3025 8.0987 8.0987 8.1207 8.1207 8.1996 8.1996 8.3871 8.3871 8.4548 8.4548 8.5229 8.5229 8.9980 8.9980 9.1482 9.1482 9.1931 9.1931 9.5305 9.5305 9.5876 9.5876 14.7210 14.7211 k = 0.0175 0.0175-0.0000 ( 2305 PWs) bands (ev): -15.2066 -15.2066 -7.9364 -7.9364 -6.9138 -6.9138 -6.9128 -6.9128 -1.7297 -1.7297 0.1474 0.1474 0.1499 0.1499 6.0683 6.0683 6.3011 6.3011 6.3063 6.3063 8.1445 8.1445 8.1606 8.1606 8.2003 8.2003 8.3859 8.3859 8.4191 8.4191 8.4954 8.4954 9.0172 9.0172 9.1748 9.1748 9.1968 9.1968 9.5138 9.5138 9.5421 9.5421 14.7062 14.7062 k = 0.0088 0.0088-0.0000 ( 2301 PWs) bands (ev): -15.2072 -15.2072 -7.9362 -7.9362 -6.9129 -6.9129 -6.9126 -6.9126 -1.7310 -1.7310 0.1468 0.1468 0.1474 0.1474 6.0718 6.0718 6.3073 6.3073 6.3087 6.3087 8.1794 8.1794 8.1875 8.1875 8.2038 8.2038 8.3807 8.3807 8.3896 8.3896 8.4778 8.4778 9.0290 9.0290 9.1947 9.1947 9.2007 9.2007 9.5028 9.5028 9.5105 9.5105 14.6971 14.6972 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -15.2074 -15.2074 -7.9361 -7.9361 -6.9125 -6.9125 -6.9125 -6.9125 -1.7314 -1.7314 0.1466 0.1466 0.1466 0.1466 6.0729 6.0729 6.3094 6.3094 6.3094 6.3094 8.1935 8.1935 8.1935 8.1935 8.2098 8.2098 8.3772 8.3772 8.3772 8.3772 8.4719 8.4719 9.0330 9.0330 9.2023 9.2023 9.2023 9.2023 9.4989 9.4989 9.4989 9.4989 14.6941 14.6941 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -15.2074 -15.2074 -7.9361 -7.9361 -6.9125 -6.9125 -6.9125 -6.9125 -1.7314 -1.7314 0.1466 0.1466 0.1466 0.1466 6.0729 6.0729 6.3094 6.3094 6.3094 6.3094 8.1935 8.1935 8.1935 8.1935 8.2098 8.2098 8.3772 8.3772 8.3772 8.3772 8.4719 8.4719 9.0330 9.0330 9.2023 9.2023 9.2023 9.2023 9.4989 9.4989 9.4989 9.4989 14.6941 14.6941 k = 0.0072 0.0072 0.0072 ( 2301 PWs) bands (ev): -15.2072 -15.2072 -7.9362 -7.9362 -6.9128 -6.9128 -6.9127 -6.9127 -1.7310 -1.7310 0.1467 0.1467 0.1475 0.1475 6.0717 6.0717 6.3075 6.3075 6.3085 6.3085 8.1789 8.1789 8.1872 8.1872 8.2040 8.2040 8.3805 8.3805 8.3901 8.3901 8.4779 8.4779 9.0290 9.0290 9.1958 9.1958 9.1992 9.1992 9.5063 9.5063 9.5074 9.5074 14.6972 14.6972 k = 0.0145 0.0145 0.0145 ( 2304 PWs) bands (ev): -15.2066 -15.2066 -7.9364 -7.9364 -6.9134 -6.9134 -6.9133 -6.9133 -1.7297 -1.7297 0.1472 0.1472 0.1501 0.1501 6.0682 6.0682 6.3016 6.3016 6.3055 6.3055 8.1433 8.1433 8.1586 8.1586 8.2021 8.2021 8.3848 8.3848 8.4205 8.4205 8.4962 8.4962 9.0175 9.0175 9.1785 9.1785 9.1907 9.1907 9.5274 9.5274 9.5310 9.5310 14.7066 14.7067 k = 0.0217 0.0217 0.0217 ( 2304 PWs) bands (ev): -15.2056 -15.2056 -7.9367 -7.9367 -6.9144 -6.9144 -6.9142 -6.9142 -1.7276 -1.7276 0.1480 0.1480 0.1546 0.1546 6.0624 6.0624 6.2920 6.2920 6.3006 6.3006 8.0972 8.0972 8.1159 8.1159 8.2039 8.2039 8.3835 8.3835 8.4579 8.4579 8.5243 8.5243 9.0000 9.0000 9.1544 9.1544 9.1787 9.1787 9.5593 9.5593 9.5656 9.5656 14.7222 14.7222 k = 0.0290 0.0290 0.0290 ( 2301 PWs) bands (ev): -15.2041 -15.2041 -7.9371 -7.9371 -6.9159 -6.9159 -6.9155 -6.9155 -1.7247 -1.7247 0.1491 0.1491 0.1607 0.1607 6.0540 6.0540 6.2788 6.2788 6.2937 6.2937 8.0459 8.0459 8.0667 8.0667 8.2072 8.2072 8.3760 8.3760 8.4967 8.4967 8.5578 8.5578 8.9785 8.9785 9.1273 9.1273 9.1649 9.1649 9.5993 9.5993 9.6077 9.6077 14.7438 14.7438 k = 0.0362 0.0362 0.0362 ( 2292 PWs) bands (ev): -15.2023 -15.2023 -7.9377 -7.9377 -6.9178 -6.9178 -6.9172 -6.9172 -1.7210 -1.7210 0.1504 0.1504 0.1686 0.1686 6.0431 6.0431 6.2622 6.2622 6.2849 6.2849 7.9916 7.9916 8.0135 8.0135 8.2116 8.2116 8.3625 8.3625 8.5347 8.5347 8.5925 8.5925 8.9552 8.9552 9.1000 9.1000 9.1504 9.1504 9.6453 9.6453 9.6550 9.6550 14.7715 14.7715 k = 0.0435 0.0435 0.0435 ( 2286 PWs) bands (ev): -15.2000 -15.2000 -7.9383 -7.9383 -6.9201 -6.9201 -6.9192 -6.9192 -1.7166 -1.7166 0.1520 0.1520 0.1781 0.1781 6.0293 6.0293 6.2427 6.2427 6.2743 6.2743 7.9355 7.9355 7.9579 7.9579 8.2170 8.2170 8.3435 8.3435 8.5701 8.5701 8.6255 8.6255 8.9327 8.9327 9.0744 9.0744 9.1360 9.1360 9.6957 9.6957 9.7062 9.7062 14.8048 14.8048 k = 0.0507 0.0507 0.0507 ( 2289 PWs) bands (ev): -15.1974 -15.1974 -7.9389 -7.9389 -6.9227 -6.9227 -6.9215 -6.9215 -1.7116 -1.7116 0.1537 0.1537 0.1892 0.1892 6.0123 6.0123 6.2207 6.2207 6.2617 6.2617 7.8781 7.8781 7.9005 7.9005 8.2234 8.2234 8.3185 8.3185 8.6017 8.6017 8.6540 8.6540 8.9138 8.9138 9.0522 9.0522 9.1226 9.1226 9.7493 9.7493 9.7601 9.7601 14.8438 14.8438 k = 0.0580 0.0580 0.0580 ( 2283 PWs) bands (ev): -15.1944 -15.1944 -7.9396 -7.9396 -6.9257 -6.9257 -6.9242 -6.9242 -1.7060 -1.7060 0.1556 0.1556 0.2018 0.2018 5.9920 5.9920 6.1967 6.1967 6.2474 6.2474 7.8200 7.8200 7.8419 7.8419 8.2308 8.2308 8.2875 8.2875 8.6281 8.6281 8.6746 8.6746 8.9020 8.9020 9.0350 9.0350 9.1111 9.1111 9.8057 9.8057 9.8164 9.8164 14.8880 14.8880 k = 0.0652 0.0652 0.0652 ( 2277 PWs) bands (ev): -15.1910 -15.1910 -7.9402 -7.9402 -6.9291 -6.9291 -6.9272 -6.9272 -1.6999 -1.6999 0.1575 0.1575 0.2157 0.2157 5.9679 5.9679 6.1713 6.1713 6.2314 6.2314 7.7614 7.7614 7.7826 7.7826 8.2391 8.2391 8.2504 8.2504 8.6479 8.6479 8.6842 8.6842 8.9009 8.9009 9.0245 9.0245 9.1021 9.1021 9.8642 9.8642 9.8745 9.8745 14.9372 14.9372 k = 0.0725 0.0725 0.0725 ( 2283 PWs) bands (ev): -15.1872 -15.1872 -7.9407 -7.9407 -6.9328 -6.9328 -6.9305 -6.9305 -1.6934 -1.6934 0.1594 0.1594 0.2310 0.2310 5.9397 5.9397 6.1451 6.1451 6.2136 6.2136 7.7028 7.7028 7.7228 7.7228 8.2065 8.2065 8.2484 8.2484 8.6601 8.6601 8.6816 8.6816 8.9113 8.9113 9.0220 9.0220 9.0963 9.0963 9.9244 9.9244 9.9343 9.9343 14.9913 14.9913 k = 0.0797 0.0797 0.0797 ( 2277 PWs) bands (ev): -15.1831 -15.1831 -7.9411 -7.9411 -6.9369 -6.9369 -6.9340 -6.9340 -1.6866 -1.6866 0.1613 0.1613 0.2475 0.2475 5.9072 5.9072 6.1186 6.1186 6.1942 6.1942 7.6444 7.6444 7.6629 7.6629 8.1564 8.1564 8.2586 8.2586 8.6644 8.6644 8.6695 8.6695 8.9309 8.9309 9.0279 9.0279 9.0945 9.0945 9.9863 9.9863 9.9956 9.9956 15.0498 15.0498 k = 0.0870 0.0870 0.0870 ( 2265 PWs) bands (ev): -15.1787 -15.1787 -7.9413 -7.9413 -6.9412 -6.9412 -6.9379 -6.9379 -1.6797 -1.6797 0.1629 0.1629 0.2651 0.2651 5.8704 5.8704 6.0922 6.0922 6.1733 6.1733 7.5864 7.5864 7.6031 7.6031 8.1001 8.1001 8.2698 8.2698 8.6516 8.6516 8.6614 8.6614 8.9556 8.9556 9.0416 9.0416 9.0972 9.0972 10.0495 10.0495 10.0582 10.0582 15.1124 15.1124 k = 0.0942 0.0942 0.0942 ( 2259 PWs) bands (ev): -15.1739 -15.1739 -7.9413 -7.9413 -6.9458 -6.9458 -6.9420 -6.9420 -1.6726 -1.6726 0.1644 0.1644 0.2835 0.2835 5.8295 5.8295 6.0659 6.0659 6.1509 6.1509 7.5291 7.5291 7.5437 7.5437 8.0380 8.0380 8.2818 8.2818 8.6305 8.6305 8.6527 8.6527 8.9823 8.9823 9.0617 9.0617 9.1048 9.1048 10.1138 10.1138 10.1220 10.1220 15.1789 15.1795 k = 0.1014 0.1014 0.1014 ( 2259 PWs) bands (ev): -15.1689 -15.1689 -7.9410 -7.9410 -6.9506 -6.9506 -6.9463 -6.9463 -1.6655 -1.6655 0.1655 0.1655 0.3027 0.3027 5.7847 5.7847 6.0399 6.0399 6.1271 6.1271 7.4727 7.4727 7.4847 7.4847 7.9706 7.9706 8.2947 8.2947 8.6081 8.6081 8.6400 8.6400 9.0090 9.0090 9.0867 9.0867 9.1177 9.1177 10.1792 10.1792 10.1867 10.1867 15.2489 15.2489 k = 0.1087 0.1087 0.1087 ( 2265 PWs) bands (ev): -15.1635 -15.1635 -7.9403 -7.9403 -6.9557 -6.9557 -6.9508 -6.9508 -1.6586 -1.6586 0.1662 0.1662 0.3225 0.3225 5.7366 5.7366 6.0141 6.0141 6.1020 6.1020 7.4175 7.4175 7.4266 7.4266 7.8985 7.8985 8.3084 8.3084 8.5854 8.5854 8.6247 8.6247 9.0344 9.0344 9.1150 9.1150 9.1361 9.1361 10.2454 10.2454 10.2523 10.2523 15.3222 15.3222 k = 0.1159 0.1159 0.1159 ( 2277 PWs) bands (ev): -15.1579 -15.1579 -7.9393 -7.9393 -6.9610 -6.9610 -6.9556 -6.9556 -1.6520 -1.6520 0.1665 0.1665 0.3427 0.3427 5.6855 5.6855 5.9882 5.9882 6.0757 6.0757 7.3635 7.3635 7.3694 7.3694 7.8224 7.8224 8.3230 8.3230 8.5630 8.5630 8.6080 8.6080 9.0582 9.0582 9.1456 9.1456 9.1594 9.1594 10.3123 10.3123 10.3188 10.3188 15.3984 15.3984 k = 0.1232 0.1232 0.1232 ( 2277 PWs) bands (ev): -15.1520 -15.1520 -7.9378 -7.9378 -6.9664 -6.9664 -6.9604 -6.9604 -1.6457 -1.6457 0.1661 0.1661 0.3630 0.3630 5.6321 5.6321 5.9624 5.9624 6.0484 6.0484 7.3111 7.3111 7.3134 7.3134 7.7426 7.7426 8.3384 8.3384 8.5414 8.5414 8.5908 8.5908 9.0809 9.0809 9.1779 9.1779 9.1867 9.1867 10.3801 10.3801 10.3861 10.3861 15.4772 15.4772 k = 0.1304 0.1304 0.1304 ( 2277 PWs) bands (ev): -15.1459 -15.1459 -7.9358 -7.9358 -6.9720 -6.9720 -6.9655 -6.9655 -1.6399 -1.6399 0.1651 0.1651 0.3833 0.3833 5.5768 5.5768 5.9363 5.9363 6.0200 6.0200 7.2587 7.2587 7.2605 7.2605 7.6600 7.6600 8.3545 8.3545 8.5209 8.5209 8.5737 8.5737 9.1034 9.1034 9.2113 9.2113 9.2169 9.2169 10.4485 10.4485 10.4541 10.4541 15.5583 15.5588 k = 0.1377 0.1377 0.1377 ( 2289 PWs) bands (ev): -15.1395 -15.1395 -7.9332 -7.9332 -6.9777 -6.9777 -6.9707 -6.9707 -1.6346 -1.6346 0.1633 0.1633 0.4034 0.4034 5.5202 5.5202 5.9100 5.9100 5.9906 5.9906 7.2055 7.2055 7.2116 7.2116 7.5751 7.5751 8.3714 8.3714 8.5017 8.5017 8.5570 8.5570 9.1263 9.1263 9.2453 9.2453 9.2488 9.2488 10.5175 10.5175 10.5226 10.5226 15.6415 15.6419 k = 0.1449 0.1449 0.1449 ( 2289 PWs) bands (ev): -15.1330 -15.1330 -7.9300 -7.9300 -6.9836 -6.9836 -6.9759 -6.9759 -1.6301 -1.6301 0.1606 0.1606 0.4229 0.4229 5.4625 5.4625 5.8835 5.8835 5.9606 5.9606 7.1540 7.1540 7.1648 7.1648 7.4883 7.4883 8.3890 8.3890 8.4839 8.4839 8.5411 8.5411 9.1499 9.1499 9.2799 9.2799 9.2818 9.2818 10.5870 10.5870 10.5917 10.5917 15.7265 15.7265 k = 0.1522 0.1522 0.1522 ( 2283 PWs) bands (ev): -15.1263 -15.1263 -7.9261 -7.9261 -6.9894 -6.9894 -6.9813 -6.9813 -1.6264 -1.6264 0.1570 0.1570 0.4416 0.4416 5.4043 5.4043 5.8566 5.8566 5.9299 5.9299 7.1042 7.1042 7.1201 7.1201 7.4003 7.4003 8.4072 8.4072 8.4678 8.4678 8.5263 8.5263 9.1745 9.1745 9.3147 9.3147 9.3156 9.3156 10.6569 10.6569 10.6614 10.6614 15.8130 15.8131 k = 0.1594 0.1594 0.1594 ( 2283 PWs) bands (ev): -15.1194 -15.1194 -7.9215 -7.9215 -6.9954 -6.9954 -6.9867 -6.9867 -1.6236 -1.6236 0.1525 0.1525 0.4592 0.4592 5.3460 5.3460 5.8295 5.8295 5.8986 5.8986 7.0563 7.0563 7.0776 7.0776 7.3115 7.3115 8.4258 8.4258 8.4537 8.4537 8.5126 8.5126 9.2001 9.2001 9.3497 9.3497 9.3497 9.3497 10.7273 10.7273 10.7315 10.7315 15.9008 15.9008 k = 0.1667 0.1667 0.1667 ( 2280 PWs) bands (ev): -15.1124 -15.1124 -7.9162 -7.9162 -7.0014 -7.0014 -6.9921 -6.9921 -1.6217 -1.6217 0.1468 0.1468 0.4755 0.4755 5.2880 5.2880 5.8022 5.8022 5.8669 5.8669 7.0102 7.0102 7.0373 7.0373 7.2224 7.2224 8.4375 8.4375 8.4489 8.4489 8.5003 8.5003 9.2268 9.2268 9.3840 9.3840 9.3847 9.3847 10.7979 10.7979 10.8019 10.8019 15.9896 15.9896 k = 0.1739 0.1739 0.1739 ( 2286 PWs) bands (ev): -15.1052 -15.1052 -7.9100 -7.9100 -7.0073 -7.0073 -6.9976 -6.9976 -1.6209 -1.6209 0.1400 0.1400 0.4902 0.4902 5.2305 5.2305 5.7745 5.7745 5.8350 5.8350 6.9660 6.9660 6.9994 6.9994 7.1336 7.1336 8.4284 8.4284 8.4672 8.4672 8.4895 8.4895 9.2545 9.2545 9.4184 9.4184 9.4198 9.4198 10.8688 10.8688 10.8726 10.8726 16.0792 16.0793 k = 0.1812 0.1812 0.1812 ( 2286 PWs) bands (ev): -15.0980 -15.0980 -7.9029 -7.9029 -7.0133 -7.0133 -7.0031 -7.0031 -1.6213 -1.6213 0.1321 0.1321 0.5029 0.5029 5.1740 5.1740 5.7468 5.7468 5.8028 5.8028 6.9235 6.9235 6.9638 6.9638 7.0457 7.0457 8.4196 8.4196 8.4801 8.4801 8.4877 8.4877 9.2831 9.2831 9.4527 9.4527 9.4547 9.4547 10.9399 10.9399 10.9436 10.9436 16.1694 16.1694 k = 0.1884 0.1884 0.1884 ( 2286 PWs) bands (ev): -15.0907 -15.0907 -7.8950 -7.8950 -7.0192 -7.0192 -7.0085 -7.0085 -1.6229 -1.6229 0.1229 0.1229 0.5135 0.5135 5.1186 5.1186 5.7188 5.7188 5.7705 5.7705 6.8822 6.8822 6.9307 6.9307 6.9598 6.9598 8.4125 8.4125 8.4724 8.4724 8.5090 8.5090 9.3126 9.3126 9.4870 9.4870 9.4896 9.4896 11.0113 11.0113 11.0148 11.0148 16.2599 16.2599 k = 0.1957 0.1957 0.1957 ( 2274 PWs) bands (ev): -15.0833 -15.0833 -7.8861 -7.8861 -7.0250 -7.0250 -7.0139 -7.0139 -1.6257 -1.6257 0.1124 0.1124 0.5215 0.5215 5.0646 5.0646 5.6908 5.6908 5.7383 5.7383 6.8382 6.8382 6.8803 6.8803 6.8999 6.8999 8.4073 8.4073 8.4665 8.4665 8.5308 8.5308 9.3431 9.3431 9.5211 9.5211 9.5243 9.5243 11.0827 11.0827 11.0862 11.0862 16.3504 16.3505 k = 0.2029 0.2029 0.2029 ( 2274 PWs) bands (ev): -15.0759 -15.0759 -7.8763 -7.8763 -7.0307 -7.0307 -7.0193 -7.0193 -1.6298 -1.6298 0.1007 0.1007 0.5269 0.5269 5.0122 5.0122 5.6628 5.6628 5.7062 5.7062 6.7753 6.7753 6.8237 6.8237 6.8716 6.8716 8.4041 8.4041 8.4622 8.4622 8.5531 8.5531 9.3742 9.3742 9.5551 9.5551 9.5588 9.5588 11.1542 11.1542 11.1577 11.1577 16.4407 16.4408 k = 0.2101 0.2101 0.2101 ( 2274 PWs) bands (ev): -15.0684 -15.0684 -7.8654 -7.8654 -7.0364 -7.0364 -7.0245 -7.0245 -1.6353 -1.6353 0.0876 0.0876 0.5293 0.5293 4.9615 4.9615 5.6347 5.6347 5.6743 5.6743 6.6979 6.6979 6.7862 6.7862 6.8455 6.8455 8.4030 8.4030 8.4598 8.4598 8.5758 8.5758 9.4059 9.4059 9.5888 9.5888 9.5931 9.5931 11.2257 11.2257 11.2291 11.2291 16.5305 16.5305 k = 0.2174 0.2174 0.2174 ( 2274 PWs) bands (ev): -15.0610 -15.0610 -7.8536 -7.8536 -7.0419 -7.0419 -7.0297 -7.0297 -1.6422 -1.6422 0.0733 0.0733 0.5285 0.5285 4.9126 4.9126 5.6068 5.6068 5.6426 5.6426 6.6201 6.6201 6.7540 6.7540 6.8218 6.8218 8.4039 8.4039 8.4592 8.4592 8.5989 8.5989 9.4384 9.4384 9.6222 9.6222 9.6270 9.6270 11.2972 11.2972 11.3006 11.3006 16.6194 16.6194 k = 0.2246 0.2246 0.2246 ( 2274 PWs) bands (ev): -15.0535 -15.0535 -7.8408 -7.8408 -7.0473 -7.0473 -7.0348 -7.0348 -1.6504 -1.6504 0.0577 0.0577 0.5244 0.5244 4.8655 4.8655 5.5789 5.5789 5.6114 5.6114 6.5447 6.5447 6.7249 6.7249 6.8004 6.8004 8.4069 8.4069 8.4606 8.4606 8.6223 8.6223 9.4712 9.4712 9.6553 9.6553 9.6607 9.6607 11.3685 11.3685 11.3719 11.3719 16.7070 16.7070 k = 0.2319 0.2319 0.2319 ( 2274 PWs) bands (ev): -15.0461 -15.0461 -7.8269 -7.8269 -7.0525 -7.0525 -7.0398 -7.0398 -1.6600 -1.6600 0.0409 0.0409 0.5167 0.5167 4.8200 4.8200 5.5513 5.5513 5.5805 5.5805 6.4727 6.4727 6.6982 6.6982 6.7812 6.7812 8.4120 8.4120 8.4638 8.4638 8.6460 8.6460 9.5045 9.5045 9.6881 9.6881 9.6941 9.6941 11.4397 11.4397 11.4431 11.4431 16.7929 16.7929 k = 0.2391 0.2391 0.2391 ( 2274 PWs) bands (ev): -15.0388 -15.0388 -7.8120 -7.8120 -7.0576 -7.0576 -7.0446 -7.0446 -1.6710 -1.6710 0.0228 0.0228 0.5055 0.5055 4.7761 4.7761 5.5239 5.5239 5.5501 5.5501 6.4047 6.4047 6.6738 6.6738 6.7642 6.7642 8.4192 8.4192 8.4691 8.4691 8.6699 8.6699 9.5381 9.5381 9.7205 9.7205 9.7271 9.7271 11.5107 11.5107 11.5141 11.5141 16.8766 16.8766 k = 0.2464 0.2464 0.2464 ( 2274 PWs) bands (ev): -15.0315 -15.0315 -7.7961 -7.7961 -7.0624 -7.0624 -7.0493 -7.0493 -1.6833 -1.6833 0.0036 0.0036 0.4906 0.4906 4.7335 4.7335 5.4967 5.4967 5.5202 5.5202 6.3413 6.3413 6.6516 6.6516 6.7492 6.7492 8.4285 8.4285 8.4763 8.4763 8.6940 8.6940 9.5720 9.5720 9.7526 9.7526 9.7597 9.7597 11.5813 11.5813 11.5848 11.5848 16.9574 16.9574 k = 0.2536 0.2536 0.2536 ( 2271 PWs) bands (ev): -15.0243 -15.0243 -7.7791 -7.7791 -7.0671 -7.0671 -7.0538 -7.0538 -1.6970 -1.6970 -0.0168 -0.0168 0.4721 0.4721 4.6920 4.6920 5.4698 5.4698 5.4908 5.4908 6.2829 6.2829 6.6314 6.6314 6.7363 6.7363 8.4399 8.4399 8.4855 8.4855 8.7182 8.7182 9.6062 9.6062 9.7842 9.7842 9.7919 9.7919 11.6517 11.6517 11.6551 11.6551 17.0346 17.0346 k = 0.2609 0.2609 0.2609 ( 2271 PWs) bands (ev): -15.0172 -15.0172 -7.7612 -7.7612 -7.0716 -7.0716 -7.0582 -7.0582 -1.7119 -1.7119 -0.0381 -0.0381 0.4499 0.4499 4.6513 4.6513 5.4434 5.4434 5.4621 5.4621 6.2301 6.2301 6.6133 6.6133 6.7252 6.7252 8.4533 8.4533 8.4968 8.4968 8.7426 8.7426 9.6404 9.6404 9.8154 9.8154 9.8236 9.8236 11.7216 11.7216 11.7251 11.7251 17.1073 17.1074 k = 0.2681 0.2681 0.2681 ( 2271 PWs) bands (ev): -15.0102 -15.0102 -7.7423 -7.7423 -7.0759 -7.0759 -7.0624 -7.0624 -1.7281 -1.7281 -0.0605 -0.0605 0.4243 0.4243 4.6110 4.6110 5.4173 5.4173 5.4339 5.4339 6.1832 6.1832 6.5970 6.5970 6.7158 6.7158 8.4688 8.4688 8.5100 8.5100 8.7670 8.7670 9.6748 9.6748 9.8461 9.8461 9.8548 9.8548 11.7911 11.7911 11.7946 11.7946 17.1746 17.1746 k = 0.2754 0.2754 0.2754 ( 2277 PWs) bands (ev): -15.0033 -15.0033 -7.7224 -7.7224 -7.0800 -7.0800 -7.0664 -7.0664 -1.7455 -1.7455 -0.0836 -0.0836 0.3953 0.3953 4.5707 4.5707 5.3916 5.3916 5.4064 5.4064 6.1425 6.1425 6.5826 6.5826 6.7081 6.7081 8.4863 8.4863 8.5253 8.5253 8.7914 8.7914 9.7091 9.7091 9.8763 9.8763 9.8855 9.8855 11.8600 11.8600 11.8636 11.8636 17.2351 17.2351 k = 0.2826 0.2826 0.2826 ( 2271 PWs) bands (ev): -14.9966 -14.9966 -7.7017 -7.7017 -7.0838 -7.0838 -7.0703 -7.0703 -1.7640 -1.7640 -0.1076 -0.1076 0.3631 0.3631 4.5303 4.5303 5.3665 5.3665 5.3796 5.3796 6.1083 6.1083 6.5700 6.5700 6.7020 6.7020 8.5057 8.5057 8.5425 8.5425 8.8157 8.8157 9.7434 9.7434 9.9059 9.9059 9.9157 9.9157 11.9284 11.9284 11.9320 11.9320 17.2877 17.2877 k = 0.2899 0.2899 0.2899 ( 2269 PWs) bands (ev): -14.9900 -14.9900 -7.6801 -7.6801 -7.0875 -7.0875 -7.0739 -7.0739 -1.7835 -1.7835 -0.1322 -0.1322 0.3279 0.3279 4.4893 4.4893 5.3418 5.3418 5.3534 5.3534 6.0807 6.0807 6.5590 6.5590 6.6972 6.6972 8.5271 8.5271 8.5616 8.5616 8.8399 8.8399 9.7777 9.7777 9.9349 9.9349 9.9453 9.9453 11.9960 11.9960 11.9996 11.9996 17.3311 17.3311 k = 0.2971 0.2971 0.2971 ( 2269 PWs) bands (ev): -14.9836 -14.9836 -7.6577 -7.6577 -7.0909 -7.0909 -7.0774 -7.0774 -1.8040 -1.8040 -0.1575 -0.1575 0.2901 0.2901 4.4478 4.4478 5.3177 5.3177 5.3280 5.3280 6.0598 6.0598 6.5497 6.5497 6.6938 6.6938 8.5502 8.5502 8.5826 8.5826 8.8639 8.8639 9.8117 9.8117 9.9634 9.9634 9.9743 9.9743 12.0630 12.0630 12.0665 12.0665 17.3641 17.3641 k = 0.3043 0.3043 0.3043 ( 2281 PWs) bands (ev): -14.9774 -14.9774 -7.6345 -7.6345 -7.0941 -7.0941 -7.0807 -7.0807 -1.8254 -1.8254 -0.1831 -0.1831 0.2498 0.2498 4.4055 4.4055 5.2941 5.2941 5.3032 5.3032 6.0453 6.0453 6.5419 6.5419 6.6915 6.6915 8.5751 8.5751 8.6054 8.6054 8.8878 8.8878 9.8455 9.8455 9.9912 9.9912 10.0027 10.0027 12.1290 12.1290 12.1326 12.1326 17.3859 17.3859 k = 0.3116 0.3116 0.3116 ( 2281 PWs) bands (ev): -14.9713 -14.9713 -7.6107 -7.6107 -7.0970 -7.0970 -7.0838 -7.0838 -1.8476 -1.8476 -0.2091 -0.2091 0.2075 0.2075 4.3624 4.3624 5.2712 5.2712 5.2792 5.2792 6.0372 6.0372 6.5357 6.5357 6.6902 6.6902 8.6016 8.6016 8.6299 8.6299 8.9113 8.9113 9.8791 9.8791 10.0183 10.0183 10.0304 10.0304 12.1942 12.1942 12.1977 12.1977 17.3958 17.3958 k = 0.3188 0.3188 0.3188 ( 2293 PWs) bands (ev): -14.9654 -14.9654 -7.5862 -7.5862 -7.0998 -7.0998 -7.0867 -7.0867 -1.8705 -1.8705 -0.2353 -0.2353 0.1633 0.1633 4.3185 4.3185 5.2488 5.2488 5.2558 5.2558 6.0349 6.0349 6.5308 6.5308 6.6899 6.6899 8.6296 8.6296 8.6561 8.6561 8.9345 8.9345 9.9122 9.9122 10.0448 10.0448 10.0574 10.0574 12.2583 12.2583 12.2618 12.2618 17.3939 17.3939 k = 0.3261 0.3261 0.3261 ( 2293 PWs) bands (ev): -14.9597 -14.9597 -7.5613 -7.5613 -7.1023 -7.1023 -7.0894 -7.0894 -1.8939 -1.8939 -0.2617 -0.2617 0.1177 0.1177 4.2742 4.2742 5.2272 5.2272 5.2333 5.2333 6.0381 6.0381 6.5274 6.5274 6.6903 6.6903 8.6590 8.6590 8.6837 8.6837 8.9574 8.9574 9.9449 9.9449 10.0705 10.0705 10.0837 10.0837 12.3214 12.3214 12.3249 12.3249 17.3808 17.3808 k = 0.3333 0.3333 0.3333 ( 2299 PWs) bands (ev): -14.9542 -14.9542 -7.5359 -7.5359 -7.1046 -7.1046 -7.0919 -7.0919 -1.9179 -1.9179 -0.2880 -0.2880 0.0710 0.0710 4.2294 4.2294 5.2062 5.2062 5.2115 5.2115 6.0462 6.0462 6.5254 6.5254 6.6915 6.6915 8.6897 8.6897 8.7128 8.7128 8.9798 8.9798 9.9771 9.9771 10.0955 10.0955 10.1092 10.1092 12.3834 12.3834 12.3868 12.3868 17.3573 17.3573 k = 0.3406 0.3406 0.3406 ( 2293 PWs) bands (ev): -14.9490 -14.9490 -7.5102 -7.5102 -7.1068 -7.1068 -7.0943 -7.0943 -1.9422 -1.9422 -0.3142 -0.3142 0.0235 0.0235 4.1844 4.1844 5.1859 5.1859 5.1906 5.1906 6.0586 6.0586 6.5248 6.5248 6.6933 6.6933 8.7214 8.7214 8.7430 8.7430 9.0018 9.0018 10.0088 10.0088 10.1198 10.1198 10.1340 10.1340 12.4441 12.4441 12.4475 12.4475 17.3246 17.3250 k = 0.3478 0.3478 0.3478 ( 2296 PWs) bands (ev): -14.9439 -14.9439 -7.4842 -7.4842 -7.1087 -7.1087 -7.0965 -7.0965 -1.9668 -1.9668 -0.3401 -0.3401 -0.0245 -0.0245 4.1395 4.1395 5.1663 5.1663 5.1704 5.1704 6.0746 6.0746 6.5255 6.5255 6.6955 6.6955 8.7541 8.7541 8.7744 8.7744 9.0232 9.0232 10.0399 10.0399 10.1433 10.1433 10.1581 10.1581 12.5035 12.5035 12.5067 12.5067 17.2841 17.2841 k = 0.3551 0.3551 0.3551 ( 2296 PWs) bands (ev): -14.9391 -14.9391 -7.4582 -7.4582 -7.1104 -7.1104 -7.0985 -7.0985 -1.9915 -1.9915 -0.3657 -0.3657 -0.0725 -0.0725 4.0950 4.0950 5.1475 5.1475 5.1510 5.1510 6.0936 6.0936 6.5276 6.5276 6.6981 6.6981 8.7875 8.7875 8.8066 8.8066 9.0440 9.0440 10.0702 10.0702 10.1659 10.1659 10.1813 10.1813 12.5614 12.5614 12.5645 12.5645 17.2401 17.2402 k = 0.3623 0.3623 0.3623 ( 2299 PWs) bands (ev): -14.9345 -14.9345 -7.4321 -7.4321 -7.1120 -7.1120 -7.1003 -7.1003 -2.0163 -2.0163 -0.3908 -0.3908 -0.1203 -0.1203 4.0511 4.0511 5.1294 5.1294 5.1325 5.1325 6.1147 6.1147 6.5311 6.5311 6.7010 6.7010 8.8215 8.8215 8.8395 8.8395 9.0642 9.0642 10.0999 10.0999 10.1878 10.1878 10.2036 10.2036 12.6178 12.6178 12.6208 12.6208 17.1765 17.1765 k = 0.3696 0.3696 0.3696 ( 2296 PWs) bands (ev): -14.9301 -14.9301 -7.4062 -7.4062 -7.1134 -7.1134 -7.1020 -7.1020 -2.0410 -2.0410 -0.4154 -0.4154 -0.1676 -0.1676 4.0080 4.0080 5.1122 5.1122 5.1148 5.1148 6.1374 6.1374 6.5362 6.5362 6.7042 6.7042 8.8558 8.8558 8.8728 8.8728 9.0837 9.0837 10.1287 10.1287 10.2087 10.2087 10.2251 10.2251 12.6726 12.6726 12.6754 12.6754 17.1121 17.1121 k = 0.3768 0.3768 0.3768 ( 2290 PWs) bands (ev): -14.9259 -14.9259 -7.3805 -7.3805 -7.1146 -7.1146 -7.1035 -7.1035 -2.0654 -2.0654 -0.4392 -0.4392 -0.2140 -0.2140 3.9660 3.9660 5.0957 5.0957 5.0980 5.0980 6.1610 6.1610 6.5428 6.5428 6.7075 6.7075 8.8901 8.8901 8.9064 8.9064 9.1025 9.1025 10.1565 10.1565 10.2289 10.2289 10.2458 10.2458 12.7255 12.7255 12.7282 12.7282 17.0476 17.0476 k = 0.3841 0.3841 0.3841 ( 2290 PWs) bands (ev): -14.9220 -14.9220 -7.3553 -7.3553 -7.1157 -7.1157 -7.1049 -7.1049 -2.0894 -2.0894 -0.4623 -0.4623 -0.2593 -0.2593 3.9254 3.9254 5.0801 5.0801 5.0821 5.0821 6.1846 6.1846 6.5511 6.5511 6.7109 6.7109 8.9244 8.9244 8.9400 8.9400 9.1205 9.1205 10.1834 10.1834 10.2481 10.2481 10.2655 10.2655 12.7766 12.7766 12.7791 12.7791 16.9833 16.9833 k = 0.3913 0.3913 0.3913 ( 2296 PWs) bands (ev): -14.9183 -14.9183 -7.3306 -7.3306 -7.1166 -7.1166 -7.1061 -7.1061 -2.1130 -2.1130 -0.4845 -0.4845 -0.3032 -0.3032 3.8863 3.8863 5.0653 5.0653 5.0670 5.0670 6.2077 6.2077 6.5611 6.5611 6.7143 6.7143 8.9582 8.9582 8.9733 8.9733 9.1376 9.1376 10.2091 10.2091 10.2665 10.2665 10.2842 10.2842 12.8257 12.8257 12.8279 12.8279 16.9199 16.9199 k = 0.3986 0.3986 0.3986 ( 2296 PWs) bands (ev): -14.9148 -14.9148 -7.3065 -7.3065 -7.1174 -7.1174 -7.1073 -7.1073 -2.1359 -2.1359 -0.5056 -0.5056 -0.3455 -0.3455 3.8489 3.8489 5.0514 5.0514 5.0528 5.0528 6.2297 6.2297 6.5728 6.5728 6.7176 6.7176 8.9915 8.9915 9.0061 9.0061 9.1539 9.1539 10.2336 10.2336 10.2839 10.2839 10.3019 10.3019 12.8726 12.8726 12.8747 12.8747 16.8578 16.8578 k = 0.4058 0.4058 0.4058 ( 2296 PWs) bands (ev): -14.9116 -14.9116 -7.2833 -7.2833 -7.1181 -7.1181 -7.1083 -7.1083 -2.1580 -2.1580 -0.5258 -0.5258 -0.3859 -0.3859 3.8134 3.8134 5.0384 5.0384 5.0395 5.0395 6.2502 6.2502 6.5861 6.5861 6.7209 6.7209 9.0239 9.0239 9.0381 9.0381 9.1693 9.1693 10.2568 10.2568 10.3004 10.3004 10.3186 10.3186 12.9174 12.9174 12.9192 12.9192 16.7974 16.7974 k = 0.4130 0.4130 0.4130 ( 2290 PWs) bands (ev): -14.9086 -14.9086 -7.2611 -7.2611 -7.1186 -7.1186 -7.1091 -7.1091 -2.1792 -2.1792 -0.5447 -0.5447 -0.4241 -0.4241 3.7800 3.7800 5.0263 5.0263 5.0272 5.0272 6.2689 6.2689 6.6008 6.6008 6.7241 6.7241 9.0551 9.0551 9.0691 9.0691 9.1837 9.1837 10.2785 10.2785 10.3162 10.3162 10.3342 10.3342 12.9597 12.9597 12.9613 12.9613 16.7393 16.7393 k = 0.4203 0.4203 0.4203 ( 2293 PWs) bands (ev): -14.9059 -14.9059 -7.2400 -7.2400 -7.1191 -7.1191 -7.1099 -7.1099 -2.1994 -2.1994 -0.5625 -0.5625 -0.4600 -0.4600 3.7488 3.7488 5.0150 5.0150 5.0158 5.0158 6.2854 6.2854 6.6167 6.6167 6.7272 6.7272 9.0850 9.0850 9.0988 9.0988 9.1972 9.1972 10.2986 10.2986 10.3311 10.3311 10.3488 10.3488 12.9994 12.9994 13.0008 13.0008 16.6838 16.6838 k = 0.4275 0.4275 0.4275 ( 2293 PWs) bands (ev): -14.9033 -14.9033 -7.2201 -7.2201 -7.1195 -7.1195 -7.1106 -7.1106 -2.2184 -2.2184 -0.5789 -0.5789 -0.4934 -0.4934 3.7199 3.7199 5.0048 5.0048 5.0054 5.0054 6.2999 6.2999 6.6334 6.6334 6.7300 6.7300 9.1132 9.1132 9.1270 9.1270 9.2096 9.2096 10.3168 10.3168 10.3454 10.3454 10.3623 10.3623 13.0364 13.0364 13.0376 13.0376 16.6313 16.6313 k = 0.4348 0.4348 0.4348 ( 2293 PWs) bands (ev): -14.9011 -14.9011 -7.2017 -7.2017 -7.1198 -7.1198 -7.1112 -7.1112 -2.2360 -2.2360 -0.5940 -0.5940 -0.5242 -0.5242 3.6935 3.6935 4.9954 4.9954 4.9959 4.9959 6.3123 6.3123 6.6504 6.6504 6.7327 6.7327 9.1395 9.1395 9.1533 9.1533 9.2211 9.2211 10.3330 10.3330 10.3590 10.3590 10.3746 10.3746 13.0706 13.0706 13.0716 13.0716 16.5824 16.5824 k = 0.4420 0.4420 0.4420 ( 2293 PWs) bands (ev): -14.8990 -14.8990 -7.1848 -7.1848 -7.1199 -7.1199 -7.1117 -7.1117 -2.2522 -2.2522 -0.6077 -0.6077 -0.5521 -0.5521 3.6696 3.6696 4.9870 4.9870 4.9874 4.9874 6.3229 6.3229 6.6672 6.6672 6.7351 6.7351 9.1637 9.1637 9.1776 9.1776 9.2314 9.2314 10.3471 10.3471 10.3720 10.3720 10.3858 10.3858 13.1017 13.1017 13.1025 13.1025 16.5374 16.5374 k = 0.4493 0.4493 0.4493 ( 2293 PWs) bands (ev): -14.8972 -14.8972 -7.1696 -7.1696 -7.1200 -7.1200 -7.1121 -7.1121 -2.2668 -2.2668 -0.6198 -0.6198 -0.5770 -0.5770 3.6483 3.6483 4.9796 4.9796 4.9799 4.9799 6.3317 6.3317 6.6833 6.6833 6.7373 6.7373 9.1856 9.1856 9.1996 9.1996 9.2407 9.2407 10.3590 10.3590 10.3842 10.3842 10.3958 10.3958 13.1296 13.1296 13.1303 13.1303 16.4966 16.4966 k = 0.4565 0.4565 0.4565 ( 2293 PWs) bands (ev): -14.8957 -14.8957 -7.1563 -7.1563 -7.1200 -7.1200 -7.1125 -7.1125 -2.2797 -2.2797 -0.6305 -0.6305 -0.5988 -0.5988 3.6297 3.6297 4.9731 4.9731 4.9734 4.9734 6.3389 6.3389 6.6983 6.6983 6.7392 6.7392 9.2048 9.2048 9.2192 9.2192 9.2490 9.2490 10.3690 10.3690 10.3954 10.3954 10.4045 10.4045 13.1542 13.1542 13.1547 13.1547 16.4604 16.4604 k = 0.4638 0.4638 0.4638 ( 2293 PWs) bands (ev): -14.8944 -14.8944 -7.1450 -7.1450 -7.1198 -7.1198 -7.1128 -7.1128 -2.2909 -2.2909 -0.6396 -0.6396 -0.6175 -0.6175 3.6139 3.6139 4.9677 4.9677 4.9678 4.9678 6.3448 6.3448 6.7117 6.7117 6.7408 6.7408 9.2211 9.2211 9.2360 9.2360 9.2563 9.2563 10.3772 10.3772 10.4053 10.4053 10.4119 10.4119 13.1753 13.1753 13.1757 13.1757 16.4291 16.4291 k = 0.4710 0.4710 0.4710 ( 2293 PWs) bands (ev): -14.8933 -14.8933 -7.1360 -7.1360 -7.1192 -7.1192 -7.1130 -7.1130 -2.3001 -2.3001 -0.6470 -0.6470 -0.6329 -0.6329 3.6009 3.6009 4.9632 4.9632 4.9633 4.9633 6.3494 6.3494 6.7231 6.7231 6.7422 6.7422 9.2344 9.2344 9.2501 9.2501 9.2625 9.2625 10.3838 10.3838 10.4137 10.4137 10.4181 10.4181 13.1928 13.1928 13.1930 13.1930 16.4031 16.4031 k = 0.4783 0.4783 0.4783 ( 2293 PWs) bands (ev): -14.8925 -14.8925 -7.1297 -7.1297 -7.1180 -7.1180 -7.1132 -7.1132 -2.3074 -2.3074 -0.6529 -0.6529 -0.6449 -0.6449 3.5907 3.5907 4.9597 4.9597 4.9597 4.9597 6.3528 6.3528 6.7324 6.7324 6.7433 6.7433 9.2446 9.2446 9.2611 9.2611 9.2678 9.2678 10.3889 10.3889 10.4203 10.4203 10.4229 10.4229 13.2065 13.2065 13.2067 13.2067 16.3826 16.3826 k = 0.4855 0.4855 0.4855 ( 2287 PWs) bands (ev): -14.8919 -14.8919 -7.1263 -7.1263 -7.1161 -7.1161 -7.1133 -7.1133 -2.3126 -2.3126 -0.6571 -0.6571 -0.6535 -0.6535 3.5834 3.5834 4.9572 4.9572 4.9572 4.9572 6.3553 6.3553 6.7391 6.7391 6.7440 6.7440 9.2515 9.2515 9.2691 9.2691 9.2719 9.2719 10.3924 10.3924 10.4252 10.4252 10.4263 10.4263 13.2164 13.2164 13.2165 13.2165 16.3677 16.3681 k = 0.4928 0.4928 0.4928 ( 2287 PWs) bands (ev): -14.8915 -14.8915 -7.1249 -7.1249 -7.1142 -7.1142 -7.1134 -7.1134 -2.3158 -2.3158 -0.6596 -0.6596 -0.6587 -0.6587 3.5790 3.5790 4.9557 4.9557 4.9557 4.9557 6.3567 6.3567 6.7433 6.7433 6.7445 6.7445 9.2555 9.2555 9.2739 9.2739 9.2746 9.2746 10.3946 10.3946 10.4281 10.4281 10.4284 10.4284 13.2224 13.2224 13.2224 13.2224 16.3588 16.3590 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -14.8914 -14.8914 -7.1245 -7.1245 -7.1134 -7.1134 -7.1134 -7.1134 -2.3168 -2.3168 -0.6604 -0.6604 -0.6604 -0.6604 3.5776 3.5776 4.9552 4.9552 4.9552 4.9552 6.3572 6.3572 6.7447 6.7447 6.7447 6.7447 9.2568 9.2568 9.2756 9.2756 9.2756 9.2756 10.3953 10.3953 10.4291 10.4291 10.4291 10.4291 13.2244 13.2244 13.2244 13.2244 16.3557 16.3557 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -14.8914 -14.8914 -7.1245 -7.1245 -7.1134 -7.1134 -7.1134 -7.1134 -2.3168 -2.3168 -0.6604 -0.6604 -0.6604 -0.6604 3.5776 3.5776 4.9552 4.9552 4.9552 4.9552 6.3572 6.3572 6.7447 6.7447 6.7447 6.7447 9.2568 9.2568 9.2756 9.2756 9.2756 9.2756 10.3953 10.3953 10.4291 10.4291 10.4291 10.4291 13.2244 13.2244 13.2244 13.2244 16.3557 16.3557 k = 0.4912 0.5000 0.4912 ( 2284 PWs) bands (ev): -14.8915 -14.8915 -7.1249 -7.1249 -7.1141 -7.1141 -7.1135 -7.1135 -2.3158 -2.3158 -0.6596 -0.6596 -0.6588 -0.6588 3.5790 3.5790 4.9554 4.9554 4.9559 4.9559 6.3567 6.3567 6.7433 6.7433 6.7445 6.7445 9.2556 9.2556 9.2739 9.2739 9.2747 9.2747 10.3946 10.3946 10.4281 10.4281 10.4284 10.4284 13.2215 13.2215 13.2234 13.2234 16.3585 16.3590 k = 0.4825 0.5000 0.4825 ( 2292 PWs) bands (ev): -14.8919 -14.8919 -7.1261 -7.1261 -7.1160 -7.1160 -7.1134 -7.1134 -2.3127 -2.3127 -0.6570 -0.6570 -0.6539 -0.6539 3.5833 3.5833 4.9561 4.9561 4.9581 4.9581 6.3553 6.3553 6.7393 6.7393 6.7440 6.7440 9.2516 9.2516 9.2690 9.2690 9.2723 9.2723 10.3925 10.3925 10.4253 10.4253 10.4263 10.4263 13.2128 13.2128 13.2205 13.2205 16.3668 16.3675 k = 0.4737 0.5000 0.4737 ( 2292 PWs) bands (ev): -14.8924 -14.8924 -7.1289 -7.1289 -7.1187 -7.1187 -7.1132 -7.1132 -2.3076 -2.3076 -0.6526 -0.6526 -0.6457 -0.6457 3.5904 3.5904 4.9573 4.9573 4.9619 4.9619 6.3529 6.3529 6.7327 6.7327 6.7432 6.7432 9.2445 9.2445 9.2610 9.2610 9.2688 9.2688 10.3890 10.3890 10.4206 10.4206 10.4229 10.4229 13.1984 13.1984 13.2156 13.2156 16.3804 16.3804 k = 0.4649 0.5000 0.4649 ( 2292 PWs) bands (ev): -14.8933 -14.8933 -7.1338 -7.1338 -7.1215 -7.1215 -7.1126 -7.1126 -2.3005 -2.3005 -0.6465 -0.6465 -0.6343 -0.6343 3.6002 3.6002 4.9590 4.9590 4.9671 4.9671 6.3495 6.3495 6.7237 6.7237 6.7420 6.7420 9.2338 9.2338 9.2502 9.2502 9.2644 9.2644 10.3841 10.3841 10.4142 10.4142 10.4181 10.4181 13.1784 13.1784 13.2089 13.2089 16.3993 16.3993 k = 0.4561 0.5000 0.4561 ( 2292 PWs) bands (ev): -14.8943 -14.8943 -7.1411 -7.1411 -7.1245 -7.1245 -7.1115 -7.1115 -2.2914 -2.2914 -0.6388 -0.6388 -0.6197 -0.6197 3.6128 3.6128 4.9613 4.9613 4.9738 4.9738 6.3450 6.3450 6.7125 6.7125 6.7406 6.7406 9.2195 9.2195 9.2370 9.2370 9.2593 9.2593 10.3778 10.3778 10.4060 10.4060 10.4120 10.4120 13.1530 13.1530 13.2002 13.2002 16.4234 16.4234 k = 0.4474 0.5000 0.4474 ( 2292 PWs) bands (ev): -14.8956 -14.8956 -7.1505 -7.1505 -7.1276 -7.1276 -7.1100 -7.1100 -2.2805 -2.2805 -0.6293 -0.6293 -0.6021 -0.6021 3.6281 3.6281 4.9641 4.9641 4.9819 4.9819 6.3391 6.3391 6.6993 6.6993 6.7390 6.7390 9.2014 9.2014 9.2215 9.2215 9.2533 9.2533 10.3701 10.3701 10.3963 10.3963 10.4047 10.4047 13.1225 13.1225 13.1896 13.1896 16.4524 16.4524 k = 0.4386 0.5000 0.4386 ( 2292 PWs) bands (ev): -14.8971 -14.8971 -7.1618 -7.1618 -7.1310 -7.1310 -7.1080 -7.1080 -2.2678 -2.2678 -0.6182 -0.6182 -0.5814 -0.5814 3.6459 3.6459 4.9675 4.9675 4.9915 4.9915 6.3318 6.3318 6.6843 6.6843 6.7371 6.7371 9.1797 9.1797 9.2043 9.2043 9.2464 9.2464 10.3608 10.3608 10.3850 10.3850 10.3962 10.3962 13.0869 13.0869 13.1771 13.1771 16.4861 16.4862 k = 0.4298 0.5000 0.4298 ( 2292 PWs) bands (ev): -14.8988 -14.8988 -7.1747 -7.1747 -7.1348 -7.1348 -7.1057 -7.1057 -2.2534 -2.2534 -0.6055 -0.6055 -0.5578 -0.5578 3.6662 3.6662 4.9716 4.9716 5.0025 5.0025 6.3228 6.3228 6.6682 6.6682 6.7350 6.7350 9.1547 9.1547 9.1853 9.1853 9.2384 9.2384 10.3500 10.3500 10.3723 10.3723 10.3866 10.3866 13.0466 13.0466 13.1629 13.1629 16.5245 16.5245 k = 0.4211 0.5000 0.4211 ( 2292 PWs) bands (ev): -14.9007 -14.9007 -7.1893 -7.1893 -7.1389 -7.1389 -7.1029 -7.1029 -2.2373 -2.2373 -0.5912 -0.5912 -0.5315 -0.5315 3.6889 3.6889 4.9764 4.9764 5.0149 5.0149 6.3118 6.3118 6.6512 6.6512 6.7327 6.7327 9.1267 9.1267 9.1649 9.1649 9.2294 9.2294 10.3377 10.3377 10.3583 10.3583 10.3760 10.3760 13.0019 13.0019 13.1468 13.1468 16.5672 16.5672 k = 0.4123 0.5000 0.4123 ( 2288 PWs) bands (ev): -14.9029 -14.9029 -7.2054 -7.2054 -7.1432 -7.1432 -7.0999 -7.0999 -2.2198 -2.2198 -0.5753 -0.5753 -0.5025 -0.5025 3.7137 3.7137 4.9821 4.9821 5.0287 5.0287 6.2986 6.2986 6.6340 6.6340 6.7304 6.7304 9.0958 9.0958 9.1432 9.1432 9.2191 9.2191 10.3237 10.3237 10.3431 10.3431 10.3646 10.3646 12.9529 12.9529 13.1289 13.1289 16.6142 16.6142 k = 0.4035 0.5000 0.4035 ( 2292 PWs) bands (ev): -14.9053 -14.9053 -7.2230 -7.2230 -7.1476 -7.1476 -7.0965 -7.0965 -2.2010 -2.2010 -0.5579 -0.5579 -0.4710 -0.4710 3.7405 3.7405 4.9886 4.9886 5.0438 5.0438 6.2828 6.2828 6.6171 6.6171 6.7280 6.7280 9.0623 9.0623 9.1205 9.1205 9.2077 9.2077 10.3082 10.3082 10.3266 10.3266 10.3524 10.3524 12.9001 12.9001 13.1093 13.1093 16.6653 16.6654 k = 0.3947 0.5000 0.3947 ( 2296 PWs) bands (ev): -14.9079 -14.9079 -7.2418 -7.2418 -7.1522 -7.1522 -7.0928 -7.0928 -2.1809 -2.1809 -0.5391 -0.5391 -0.4372 -0.4372 3.7692 3.7692 4.9961 4.9961 5.0602 5.0602 6.2641 6.2641 6.6012 6.6012 6.7256 6.7256 9.0265 9.0265 9.0970 9.0970 9.1948 9.1948 10.2912 10.2912 10.3089 10.3089 10.3397 10.3397 12.8434 12.8434 13.0880 13.0880 16.7202 16.7203 k = 0.3860 0.5000 0.3860 ( 2292 PWs) bands (ev): -14.9107 -14.9107 -7.2619 -7.2619 -7.1568 -7.1568 -7.0888 -7.0888 -2.1596 -2.1596 -0.5188 -0.5188 -0.4012 -0.4012 3.7996 3.7996 5.0046 5.0046 5.0780 5.0780 6.2425 6.2425 6.5866 6.5866 6.7233 6.7233 8.9885 8.9885 9.0728 9.0728 9.1806 9.1806 10.2730 10.2730 10.2899 10.2899 10.3265 10.3265 12.7835 12.7835 13.0650 13.0650 16.7788 16.7788 k = 0.3772 0.5000 0.3772 ( 2292 PWs) bands (ev): -14.9137 -14.9137 -7.2832 -7.2832 -7.1614 -7.1614 -7.0846 -7.0846 -2.1373 -2.1373 -0.4972 -0.4972 -0.3633 -0.3633 3.8313 3.8313 5.0144 5.0144 5.0969 5.0969 6.2179 6.2179 6.5738 6.5738 6.7211 6.7211 8.9487 8.9487 9.0482 9.0482 9.1649 9.1649 10.2537 10.2537 10.2696 10.2696 10.3130 10.3130 12.7202 12.7202 13.0403 13.0403 16.8408 16.8408 k = 0.3684 0.5000 0.3684 ( 2292 PWs) bands (ev): -14.9168 -14.9168 -7.3055 -7.3055 -7.1658 -7.1658 -7.0800 -7.0800 -2.1142 -2.1142 -0.4743 -0.4743 -0.3238 -0.3238 3.8643 3.8643 5.0254 5.0254 5.1170 5.1170 6.1906 6.1906 6.5631 6.5631 6.7191 6.7191 8.9072 8.9072 9.0233 9.0233 9.1476 9.1476 10.2335 10.2335 10.2479 10.2479 10.2992 10.2992 12.6540 12.6540 13.0141 13.0141 16.9061 16.9061 k = 0.3596 0.5000 0.3596 ( 2296 PWs) bands (ev): -14.9202 -14.9202 -7.3287 -7.3287 -7.1700 -7.1700 -7.0753 -7.0753 -2.0903 -2.0903 -0.4502 -0.4502 -0.2827 -0.2827 3.8981 3.8981 5.0378 5.0378 5.1382 5.1382 6.1607 6.1607 6.5545 6.5545 6.7174 6.7174 8.8644 8.8644 8.9982 8.9982 9.1287 9.1287 10.2125 10.2125 10.2249 10.2249 10.2853 10.2853 12.5850 12.5850 12.9862 12.9862 16.9742 16.9742 k = 0.3509 0.5000 0.3509 ( 2296 PWs) bands (ev): -14.9238 -14.9238 -7.3528 -7.3528 -7.1740 -7.1740 -7.0702 -7.0702 -2.0658 -2.0658 -0.4250 -0.4250 -0.2405 -0.2405 3.9327 3.9327 5.0518 5.0518 5.1604 5.1604 6.1290 6.1290 6.5480 6.5480 6.7162 6.7162 8.8204 8.8204 8.9729 8.9729 9.1081 9.1081 10.1908 10.1908 10.2007 10.2007 10.2714 10.2714 12.5135 12.5135 12.9568 12.9568 17.0451 17.0451 k = 0.3421 0.5000 0.3421 ( 2296 PWs) bands (ev): -14.9275 -14.9275 -7.3776 -7.3776 -7.1777 -7.1777 -7.0650 -7.0650 -2.0408 -2.0408 -0.3987 -0.3987 -0.1973 -0.1973 3.9676 3.9676 5.0675 5.0675 5.1837 5.1837 6.0958 6.0958 6.5436 6.5436 6.7155 6.7155 8.7756 8.7756 8.9477 8.9477 9.0856 9.0856 10.1679 10.1679 10.1759 10.1759 10.2575 10.2575 12.4397 12.4397 12.9259 12.9259 17.1183 17.1183 k = 0.3333 0.5000 0.3333 ( 2296 PWs) bands (ev): -14.9314 -14.9314 -7.4032 -7.4032 -7.1810 -7.1810 -7.0595 -7.0595 -2.0153 -2.0153 -0.3713 -0.3713 -0.1534 -0.1534 4.0025 4.0025 5.0849 5.0849 5.2079 5.2079 6.0618 6.0618 6.5411 6.5411 6.7154 6.7154 8.7302 8.7302 8.9223 8.9223 9.0614 9.0614 10.1427 10.1427 10.1518 10.1518 10.2438 10.2438 12.3636 12.3636 12.8935 12.8935 17.1934 17.1934 k = 0.3246 0.5000 0.3246 ( 2290 PWs) bands (ev): -14.9354 -14.9354 -7.4292 -7.4292 -7.1839 -7.1839 -7.0539 -7.0539 -1.9896 -1.9896 -0.3431 -0.3431 -0.1092 -0.1092 4.0373 4.0373 5.1042 5.1042 5.2330 5.2330 6.0277 6.0277 6.5405 6.5405 6.7162 6.7162 8.6845 8.6845 8.8969 8.8969 9.0351 9.0351 10.1148 10.1148 10.1293 10.1293 10.2303 10.2303 12.2856 12.2856 12.8596 12.8596 17.2700 17.2701 k = 0.3158 0.5000 0.3158 ( 2290 PWs) bands (ev): -14.9396 -14.9396 -7.4558 -7.4558 -7.1862 -7.1862 -7.0481 -7.0481 -1.9637 -1.9637 -0.3140 -0.3140 -0.0649 -0.0649 4.0716 4.0716 5.1254 5.1254 5.2588 5.2588 5.9940 5.9940 6.5415 6.5415 6.7180 6.7180 8.6387 8.6387 8.8713 8.8713 9.0070 9.0070 10.0847 10.0847 10.1076 10.1076 10.2172 10.2172 12.2057 12.2057 12.8243 12.8243 17.3470 17.3476 k = 0.3070 0.5000 0.3070 ( 2278 PWs) bands (ev): -14.9439 -14.9439 -7.4827 -7.4827 -7.1881 -7.1881 -7.0421 -7.0421 -1.9378 -1.9378 -0.2842 -0.2842 -0.0208 -0.0208 4.1052 4.1052 5.1485 5.1485 5.2854 5.2854 5.9615 5.9615 6.5441 6.5441 6.7211 6.7211 8.5931 8.5931 8.8456 8.8456 8.9768 8.9768 10.0530 10.0530 10.0867 10.0867 10.2045 10.2045 12.1242 12.1242 12.7876 12.7876 17.4216 17.4250 k = 0.2982 0.5000 0.2982 ( 2278 PWs) bands (ev): -14.9484 -14.9484 -7.5099 -7.5099 -7.1894 -7.1894 -7.0359 -7.0359 -1.9119 -1.9119 -0.2537 -0.2537 0.0228 0.0228 4.1378 4.1378 5.1736 5.1736 5.3125 5.3125 5.9306 5.9306 6.5480 6.5480 6.7257 6.7257 8.5479 8.5479 8.8196 8.8196 8.9446 8.9446 10.0197 10.0197 10.0664 10.0664 10.1923 10.1923 12.0411 12.0411 12.7495 12.7495 17.4889 17.4889 k = 0.2895 0.5000 0.2895 ( 2282 PWs) bands (ev): -14.9529 -14.9529 -7.5372 -7.5372 -7.1901 -7.1901 -7.0297 -7.0297 -1.8862 -1.8862 -0.2226 -0.2226 0.0655 0.0655 4.1693 4.1693 5.2005 5.2005 5.3401 5.3401 5.9020 5.9020 6.5531 6.5531 6.7321 6.7321 8.5035 8.5035 8.7932 8.7932 8.9103 8.9103 9.9850 9.9850 10.0469 10.0469 10.1807 10.1807 11.9567 11.9567 12.7101 12.7101 17.5479 17.5526 k = 0.2807 0.5000 0.2807 ( 2284 PWs) bands (ev): -14.9576 -14.9576 -7.5647 -7.5647 -7.1902 -7.1902 -7.0233 -7.0233 -1.8607 -1.8607 -0.1911 -0.1911 0.1071 0.1071 4.1994 4.1994 5.2291 5.2291 5.3680 5.3680 5.8761 5.8761 6.5592 6.5592 6.7408 6.7408 8.4600 8.4600 8.7663 8.7663 8.8740 8.8740 9.9490 9.9490 10.0285 10.0285 10.1697 10.1697 11.8709 11.8709 12.6694 12.6694 17.5968 17.5973 k = 0.2719 0.5000 0.2719 ( 2280 PWs) bands (ev): -14.9623 -14.9623 -7.5922 -7.5922 -7.1896 -7.1896 -7.0168 -7.0168 -1.8355 -1.8355 -0.1592 -0.1592 0.1473 0.1473 4.2282 4.2282 5.2594 5.2594 5.3962 5.3962 5.8535 5.8535 6.5661 6.5661 6.7520 6.7520 8.4178 8.4178 8.7389 8.7389 8.8358 8.8358 9.9116 9.9116 10.0113 10.0113 10.1594 10.1594 11.7841 11.7841 12.6276 12.6276 17.6384 17.6384 k = 0.2632 0.5000 0.2632 ( 2286 PWs) bands (ev): -14.9671 -14.9671 -7.6196 -7.6196 -7.1884 -7.1884 -7.0103 -7.0103 -1.8107 -1.8107 -0.1270 -0.1270 0.1859 0.1859 4.2554 4.2554 5.2909 5.2909 5.4245 5.4245 5.8346 5.8346 6.5735 6.5735 6.7662 6.7662 8.3772 8.3772 8.7106 8.7106 8.7955 8.7955 9.8730 9.8730 9.9952 9.9952 10.1498 10.1498 11.6963 11.6963 12.5845 12.5845 17.6724 17.6724 k = 0.2544 0.5000 0.2544 ( 2278 PWs) bands (ev): -14.9720 -14.9720 -7.6469 -7.6469 -7.1865 -7.1865 -7.0037 -7.0037 -1.7865 -1.7865 -0.0946 -0.0946 0.2225 0.2225 4.2811 4.2811 5.3235 5.3235 5.4528 5.4528 5.8198 5.8198 6.5813 6.5813 6.7839 6.7839 8.3383 8.3383 8.6815 8.6815 8.7534 8.7534 9.8331 9.8331 9.9807 9.9807 10.1410 10.1410 11.6078 11.6078 12.5404 12.5404 17.6988 17.6988 k = 0.2456 0.5000 0.2456 ( 2278 PWs) bands (ev): -14.9769 -14.9769 -7.6739 -7.6739 -7.1840 -7.1840 -6.9971 -6.9971 -1.7628 -1.7628 -0.0622 -0.0622 0.2571 0.2571 4.3054 4.3054 5.3567 5.3567 5.4810 5.4810 5.8095 5.8095 6.5894 6.5894 6.8052 6.8052 8.3014 8.3014 8.6513 8.6513 8.7095 8.7095 9.7922 9.7922 9.9677 9.9677 10.1329 10.1329 11.5186 11.5186 12.4951 12.4951 17.7163 17.7163 k = 0.2368 0.5000 0.2368 ( 2280 PWs) bands (ev): -14.9818 -14.9818 -7.7006 -7.7006 -7.1809 -7.1809 -6.9905 -6.9905 -1.7399 -1.7399 -0.0298 -0.0298 0.2894 0.2894 4.3283 4.3283 5.3903 5.3903 5.5088 5.5088 5.8039 5.8039 6.5976 6.5976 6.8306 6.8306 8.2668 8.2668 8.6201 8.6201 8.6638 8.6638 9.7501 9.7501 9.9563 9.9563 10.1256 10.1256 11.4288 11.4288 12.4489 12.4489 17.7187 17.7187 k = 0.2281 0.5000 0.2281 ( 2268 PWs) bands (ev): -14.9867 -14.9867 -7.7270 -7.7270 -7.1771 -7.1771 -6.9839 -6.9839 -1.7176 -1.7176 0.0025 0.0025 0.3193 0.3193 4.3498 4.3498 5.4239 5.4239 5.5363 5.5363 5.8033 5.8033 6.6060 6.6060 6.8601 6.8601 8.2348 8.2348 8.5876 8.5876 8.6166 8.6166 9.7070 9.7070 9.9468 9.9468 10.1190 10.1190 11.3386 11.3386 12.4017 12.4017 17.6901 17.6901 k = 0.2193 0.5000 0.2193 ( 2280 PWs) bands (ev): -14.9917 -14.9917 -7.7529 -7.7529 -7.1728 -7.1728 -6.9773 -6.9773 -1.6962 -1.6962 0.0345 0.0345 0.3466 0.3466 4.3700 4.3700 5.4570 5.4570 5.5631 5.5631 5.8079 5.8079 6.6145 6.6145 6.8939 6.8939 8.2055 8.2055 8.5536 8.5536 8.5679 8.5679 9.6629 9.6629 9.9389 9.9389 10.1131 10.1131 11.2480 11.2480 12.3536 12.3536 17.6322 17.6322 k = 0.2105 0.5000 0.2105 ( 2278 PWs) bands (ev): -14.9966 -14.9966 -7.7783 -7.7783 -7.1679 -7.1679 -6.9708 -6.9708 -1.6757 -1.6757 0.0661 0.0661 0.3715 0.3715 4.3892 4.3892 5.4894 5.4894 5.5892 5.5892 5.8177 5.8177 6.6234 6.6234 6.9319 6.9319 8.1793 8.1793 8.5161 8.5161 8.5201 8.5201 9.6180 9.6180 9.9328 9.9328 10.1079 10.1079 11.1573 11.1573 12.3049 12.3049 17.5653 17.5653 k = 0.2018 0.5000 0.2018 ( 2274 PWs) bands (ev): -15.0014 -15.0014 -7.8031 -7.8031 -7.1625 -7.1625 -6.9643 -6.9643 -1.6560 -1.6560 0.0973 0.0973 0.3938 0.3938 4.4073 4.4073 5.5208 5.5208 5.6143 5.6143 5.8329 5.8329 6.6327 6.6327 6.9741 6.9741 8.1563 8.1563 8.4658 8.4658 8.4822 8.4822 9.5723 9.5723 9.9286 9.9286 10.1034 10.1034 11.0665 11.0665 12.2555 12.2555 17.4975 17.4975 k = 0.1930 0.5000 0.1930 ( 2274 PWs) bands (ev): -15.0063 -15.0063 -7.8273 -7.8273 -7.1566 -7.1566 -6.9579 -6.9579 -1.6374 -1.6374 0.1278 0.1278 0.4136 0.4136 4.4245 4.4245 5.5509 5.5509 5.6385 5.6385 5.8534 5.8534 6.6425 6.6425 7.0203 7.0203 8.1367 8.1367 8.4134 8.4134 8.4439 8.4439 9.5259 9.5259 9.9262 9.9262 10.0995 10.0995 10.9758 10.9758 12.2055 12.2055 17.4311 17.4311 k = 0.1842 0.5000 0.1842 ( 2270 PWs) bands (ev): -15.0110 -15.0110 -7.8508 -7.8508 -7.1503 -7.1503 -6.9516 -6.9516 -1.6198 -1.6198 0.1576 0.1576 0.4310 0.4310 4.4408 4.4408 5.5796 5.5796 5.6614 5.6614 5.8793 5.8793 6.6530 6.6530 7.0704 7.0704 8.1207 8.1207 8.3600 8.3600 8.4041 8.4041 9.4788 9.4788 9.9256 9.9256 10.0963 10.0963 10.8854 10.8854 12.1551 12.1551 17.3668 17.3668 k = 0.1754 0.5000 0.1754 ( 2260 PWs) bands (ev): -15.0157 -15.0157 -7.8735 -7.8735 -7.1436 -7.1436 -6.9455 -6.9455 -1.6033 -1.6033 0.1865 0.1865 0.4461 0.4461 4.4564 4.4564 5.6066 5.6066 5.6831 5.6831 5.9102 5.9102 6.6642 6.6642 7.1241 7.1241 8.1085 8.1085 8.3059 8.3059 8.3627 8.3627 9.4313 9.4313 9.9267 9.9267 10.0935 10.0935 10.7955 10.7955 12.1045 12.1045 17.3051 17.3051 k = 0.1667 0.5000 0.1667 ( 2260 PWs) bands (ev): -15.0202 -15.0202 -7.8954 -7.8954 -7.1366 -7.1366 -6.9395 -6.9395 -1.5879 -1.5879 0.2143 0.2143 0.4592 0.4592 4.4714 4.4714 5.6319 5.6319 5.7034 5.7034 5.9461 5.9461 6.6763 6.6763 7.1810 7.1810 8.1000 8.1000 8.2511 8.2511 8.3198 8.3198 9.3833 9.3833 9.9294 9.9294 10.0913 10.0913 10.7060 10.7060 12.0538 12.0538 17.2461 17.2461 k = 0.1579 0.5000 0.1579 ( 2260 PWs) bands (ev): -15.0246 -15.0246 -7.9165 -7.9165 -7.1293 -7.1293 -6.9337 -6.9337 -1.5736 -1.5736 0.2410 0.2410 0.4704 0.4704 4.4857 4.4857 5.6555 5.6555 5.7221 5.7221 5.9867 5.9867 6.6893 6.6893 7.2409 7.2409 8.0955 8.0955 8.1958 8.1958 8.2752 8.2752 9.3349 9.3349 9.9336 9.9336 10.0895 10.0895 10.6173 10.6173 12.0030 12.0030 17.1899 17.1899 k = 0.1491 0.5000 0.1491 ( 2264 PWs) bands (ev): -15.0289 -15.0289 -7.9367 -7.9367 -7.1219 -7.1219 -6.9281 -6.9281 -1.5604 -1.5604 0.2663 0.2663 0.4801 0.4801 4.4994 4.4994 5.6773 5.6773 5.7393 5.7393 6.0317 6.0317 6.7034 6.7034 7.3034 7.3034 8.0948 8.0948 8.1403 8.1403 8.2292 8.2292 9.2862 9.2862 9.9390 9.9390 10.0881 10.0881 10.5295 10.5295 11.9525 11.9525 17.1367 17.1367 k = 0.1404 0.5000 0.1404 ( 2272 PWs) bands (ev): -15.0331 -15.0331 -7.9560 -7.9560 -7.1143 -7.1143 -6.9226 -6.9226 -1.5484 -1.5484 0.2901 0.2901 0.4885 0.4885 4.5126 4.5126 5.6974 5.6974 5.7549 5.7549 6.0808 6.0808 6.7186 6.7186 7.3681 7.3681 8.0846 8.0846 8.0979 8.0979 8.1819 8.1819 9.2374 9.2374 9.9457 9.9457 10.0870 10.0870 10.4428 10.4428 11.9025 11.9025 17.0864 17.0864 k = 0.1316 0.5000 0.1316 ( 2268 PWs) bands (ev): -15.0371 -15.0371 -7.9743 -7.9743 -7.1067 -7.1067 -6.9175 -6.9175 -1.5374 -1.5374 0.3122 0.3122 0.4959 0.4959 4.5253 4.5253 5.7158 5.7158 5.7690 5.7690 6.1336 6.1336 6.7349 6.7349 7.4347 7.4347 8.0291 8.0291 8.1026 8.1026 8.1351 8.1351 9.1884 9.1884 9.9533 9.9533 10.0861 10.0861 10.3578 10.3578 11.8531 11.8531 17.0392 17.0392 k = 0.1228 0.5000 0.1228 ( 2268 PWs) bands (ev): -15.0409 -15.0409 -7.9916 -7.9916 -7.0991 -7.0991 -6.9125 -6.9125 -1.5276 -1.5276 0.3323 0.3323 0.5027 0.5027 4.5374 4.5374 5.7327 5.7327 5.7814 5.7814 6.1898 6.1898 6.7525 6.7525 7.5027 7.5027 7.9739 7.9739 8.0774 8.0774 8.1204 8.1204 9.1393 9.1393 9.9617 9.9617 10.0849 10.0849 10.2748 10.2748 11.8047 11.8047 16.9949 16.9949 k = 0.1140 0.5000 0.1140 ( 2276 PWs) bands (ev): -15.0445 -15.0445 -8.0078 -8.0078 -7.0917 -7.0917 -6.9078 -6.9078 -1.5188 -1.5188 0.3502 0.3502 0.5093 0.5093 4.5490 4.5490 5.7480 5.7480 5.7924 5.7924 6.2490 6.2490 6.7713 6.7713 7.5717 7.5717 7.9191 7.9191 8.0267 8.0267 8.1333 8.1333 9.0901 9.0901 9.9704 9.9704 10.0823 10.0823 10.1956 10.1956 11.7574 11.7574 16.9538 16.9538 k = 0.1053 0.5000 0.1053 ( 2276 PWs) bands (ev): -15.0479 -15.0479 -8.0230 -8.0230 -7.0844 -7.0844 -6.9034 -6.9034 -1.5110 -1.5110 0.3658 0.3658 0.5158 0.5158 4.5600 4.5600 5.7619 5.7619 5.8019 5.8019 6.3107 6.3107 6.7913 6.7913 7.6414 7.6414 7.8650 7.8650 7.9733 7.9733 8.1509 8.1509 9.0409 9.0409 9.9792 9.9792 10.0699 10.0699 10.1288 10.1288 11.7116 11.7116 16.9156 16.9156 k = 0.0965 0.5000 0.0965 ( 2280 PWs) bands (ev): -15.0510 -15.0510 -8.0371 -8.0371 -7.0774 -7.0774 -6.8993 -6.8993 -1.5042 -1.5042 0.3789 0.3789 0.5227 0.5227 4.5704 4.5704 5.7744 5.7744 5.8101 5.8101 6.3745 6.3745 6.8125 6.8125 7.7111 7.7111 7.8119 7.8119 7.9184 7.9184 8.1716 8.1716 8.9918 8.9918 9.9850 9.9850 10.0221 10.0221 10.1032 10.1032 11.6676 11.6676 16.8806 16.8806 k = 0.0877 0.5000 0.0877 ( 2280 PWs) bands (ev): -15.0540 -15.0540 -8.0500 -8.0500 -7.0707 -7.0707 -6.8955 -6.8955 -1.4982 -1.4982 0.3896 0.3896 0.5299 0.5299 4.5801 4.5801 5.7855 5.7855 5.8171 5.8171 6.4400 6.4400 6.8350 6.8350 7.7587 7.7587 7.7812 7.7812 7.8628 7.8628 8.1949 8.1949 8.9426 8.9426 9.9437 9.9437 10.0024 10.0024 10.0995 10.0995 11.6257 11.6257 16.8486 16.8486 k = 0.0789 0.5000 0.0789 ( 2276 PWs) bands (ev): -15.0567 -15.0567 -8.0617 -8.0617 -7.0644 -7.0644 -6.8920 -6.8920 -1.4931 -1.4931 0.3980 0.3980 0.5374 0.5374 4.5891 4.5891 5.7953 5.7953 5.8231 5.8231 6.5067 6.5067 6.8587 6.8587 7.7087 7.7087 7.8012 7.8012 7.8540 7.8540 8.2203 8.2203 8.8933 8.8933 9.8749 9.8749 10.0094 10.0094 10.0999 10.0999 11.5864 11.5864 16.8196 16.8196 k = 0.0702 0.5000 0.0702 ( 2288 PWs) bands (ev): -15.0591 -15.0591 -8.0723 -8.0723 -7.0586 -7.0586 -6.8889 -6.8889 -1.4888 -1.4888 0.4044 0.4044 0.5450 0.5450 4.5974 4.5974 5.8038 5.8038 5.8280 5.8280 6.5740 6.5740 6.8834 6.8834 7.6598 7.6598 7.7441 7.7441 7.9211 7.9211 8.2472 8.2472 8.8439 8.8439 9.8075 9.8075 10.0170 10.0170 10.1015 10.1015 11.5499 11.5499 16.7937 16.7937 k = 0.0614 0.5000 0.0614 ( 2292 PWs) bands (ev): -15.0613 -15.0613 -8.0817 -8.0817 -7.0533 -7.0533 -6.8861 -6.8861 -1.4852 -1.4852 0.4090 0.4090 0.5526 0.5526 4.6048 4.6048 5.8111 5.8111 5.8322 5.8322 6.6414 6.6414 6.9091 6.9091 7.6128 7.6128 7.6848 7.6848 7.9887 7.9887 8.2747 8.2747 8.7941 8.7941 9.7440 9.7440 10.0240 10.0240 10.1038 10.1038 11.5165 11.5165 16.7709 16.7709 k = 0.0526 0.5000 0.0526 ( 2284 PWs) bands (ev): -15.0632 -15.0632 -8.0899 -8.0899 -7.0486 -7.0486 -6.8836 -6.8836 -1.4823 -1.4823 0.4123 0.4123 0.5598 0.5598 4.6114 4.6114 5.8172 5.8172 5.8357 5.8357 6.7079 6.7079 6.9357 6.9357 7.5684 7.5684 7.6248 7.6248 8.0553 8.0553 8.3021 8.3021 8.7441 8.7441 9.6854 9.6854 10.0301 10.0301 10.1066 10.1066 11.4868 11.4868 16.7512 16.7512 k = 0.0439 0.5000 0.0439 ( 2288 PWs) bands (ev): -15.0648 -15.0648 -8.0968 -8.0968 -7.0445 -7.0445 -6.8815 -6.8815 -1.4799 -1.4799 0.4146 0.4146 0.5663 0.5663 4.6171 4.6171 5.8221 5.8221 5.8387 5.8387 6.7724 6.7724 6.9632 6.9632 7.5270 7.5270 7.5649 7.5649 8.1204 8.1204 8.3284 8.3284 8.6935 8.6935 9.6329 9.6329 10.0351 10.0351 10.1095 10.1095 11.4608 11.4608 16.7344 16.7344 k = 0.0351 0.5000 0.0351 ( 2276 PWs) bands (ev): -15.0662 -15.0662 -8.1025 -8.1025 -7.0411 -7.0411 -6.8798 -6.8798 -1.4781 -1.4781 0.4161 0.4161 0.5719 0.5719 4.6219 4.6219 5.8259 5.8259 5.8412 5.8412 6.8329 6.8329 6.9916 6.9916 7.4884 7.4884 7.5072 7.5072 8.1840 8.1840 8.3524 8.3524 8.6424 8.6424 9.5876 9.5876 10.0392 10.0392 10.1123 10.1123 11.4392 11.4392 16.7208 16.7208 k = 0.0263 0.5000 0.0263 ( 2268 PWs) bands (ev): -15.0672 -15.0672 -8.1069 -8.1069 -7.0384 -7.0384 -6.8784 -6.8784 -1.4767 -1.4767 0.4171 0.4171 0.5765 0.5765 4.6256 4.6256 5.8286 5.8286 5.8432 5.8432 6.8861 6.8861 7.0213 7.0213 7.4436 7.4436 7.4633 7.4633 8.2458 8.2458 8.3730 8.3730 8.5906 8.5906 9.5506 9.5506 10.0422 10.0422 10.1148 10.1148 11.4221 11.4221 16.7101 16.7101 k = 0.0175 0.5000 0.0175 ( 2272 PWs) bands (ev): -15.0679 -15.0679 -8.1101 -8.1101 -7.0365 -7.0365 -6.8775 -6.8775 -1.4757 -1.4757 0.4177 0.4177 0.5798 0.5798 4.6283 4.6283 5.8304 5.8304 5.8447 5.8447 6.9276 6.9276 7.0522 7.0522 7.3933 7.3933 7.4370 7.4370 8.3053 8.3053 8.3891 8.3891 8.5380 8.5380 9.5229 9.5229 10.0443 10.0443 10.1168 10.1168 11.4096 11.4096 16.7025 16.7025 k = 0.0088 0.5000 0.0088 ( 2272 PWs) bands (ev): -15.0684 -15.0684 -8.1120 -8.1120 -7.0353 -7.0353 -6.8769 -6.8769 -1.4751 -1.4751 0.4180 0.4180 0.5819 0.5819 4.6299 4.6299 5.8315 5.8315 5.8457 5.8457 6.9533 6.9533 7.0798 7.0798 7.3537 7.3537 7.4210 7.4210 8.3602 8.3602 8.4012 8.4012 8.4854 8.4854 9.5059 9.5059 10.0455 10.0455 10.1181 10.1181 11.4021 11.4021 16.6980 16.6980 k = 0.0000 0.5000-0.0000 ( 2272 PWs) bands (ev): -15.0685 -15.0685 -8.1127 -8.1127 -7.0349 -7.0349 -6.8767 -6.8767 -1.4749 -1.4749 0.4181 0.4181 0.5825 0.5825 4.6304 4.6304 5.8318 5.8318 5.8460 5.8460 6.9618 6.9618 7.0919 7.0919 7.3378 7.3378 7.4154 7.4154 8.3880 8.3880 8.4184 8.4184 8.4452 8.4452 9.5001 9.5001 10.0459 10.0459 10.1185 10.1185 11.3996 11.3996 16.6964 16.6964 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -14.9668 -14.9668 -7.3982 -7.3982 -7.3124 -7.3124 -7.2865 -7.2865 -1.6014 -1.6014 0.1252 0.1252 0.5175 0.5175 4.0998 4.0998 4.9420 4.9420 5.1372 5.1372 6.3123 6.3123 6.3261 6.3261 6.6705 6.6705 8.3826 8.3826 8.5329 8.5329 9.1969 9.1969 9.8747 9.8747 9.9098 9.9098 9.9997 9.9997 10.2900 10.2900 13.2191 13.2191 17.5363 17.5363 k = 0.5000 0.5000 0.0125 ( 2288 PWs) bands (ev): -14.9667 -14.9667 -7.3978 -7.3978 -7.3121 -7.3121 -7.2863 -7.2863 -1.6026 -1.6026 0.1238 0.1238 0.5151 0.5151 4.0995 4.0995 4.9420 4.9420 5.1402 5.1402 6.3135 6.3135 6.3267 6.3267 6.6650 6.6650 8.3835 8.3835 8.5333 8.5333 9.1970 9.1970 9.8758 9.8758 9.9106 9.9106 10.0002 10.0002 10.2966 10.2966 13.2191 13.2191 17.5344 17.5344 k = 0.5000 0.5000 0.0250 ( 2272 PWs) bands (ev): -14.9664 -14.9664 -7.3966 -7.3966 -7.3112 -7.3112 -7.2856 -7.2856 -1.6061 -1.6061 0.1198 0.1198 0.5079 0.5079 4.0987 4.0987 4.9421 4.9421 5.1491 5.1491 6.3172 6.3172 6.3286 6.3286 6.6488 6.6488 8.3862 8.3862 8.5344 8.5344 9.1974 9.1974 9.8792 9.8792 9.9130 9.9130 10.0018 10.0018 10.3160 10.3160 13.2192 13.2192 17.5288 17.5288 k = 0.5000 0.5000 0.0375 ( 2272 PWs) bands (ev): -14.9658 -14.9658 -7.3945 -7.3945 -7.3098 -7.3098 -7.2844 -7.2844 -1.6119 -1.6119 0.1131 0.1131 0.4960 0.4960 4.0972 4.0972 4.9422 4.9422 5.1638 5.1638 6.3231 6.3231 6.3314 6.3314 6.6222 6.6222 8.3906 8.3906 8.5364 8.5364 9.1979 9.1979 9.8846 9.8846 9.9169 9.9169 10.0044 10.0044 10.3479 10.3479 13.2193 13.2193 17.5194 17.5194 k = 0.5000 0.5000 0.0500 ( 2256 PWs) bands (ev): -14.9650 -14.9650 -7.3917 -7.3917 -7.3078 -7.3078 -7.2827 -7.2827 -1.6199 -1.6199 0.1038 0.1038 0.4796 0.4796 4.0951 4.0951 4.9425 4.9425 5.1841 5.1841 6.3313 6.3313 6.3354 6.3354 6.5860 6.5860 8.3968 8.3968 8.5392 8.5392 9.1987 9.1987 9.8920 9.8920 9.9223 9.9223 10.0081 10.0081 10.3917 10.3917 13.2194 13.2194 17.5064 17.5064 k = 0.5000 0.5000 0.0625 ( 2264 PWs) bands (ev): -14.9640 -14.9640 -7.3881 -7.3881 -7.3053 -7.3053 -7.2805 -7.2805 -1.6302 -1.6302 0.0920 0.0920 0.4588 0.4588 4.0924 4.0924 4.9427 4.9427 5.2097 5.2097 6.3404 6.3404 6.3414 6.3414 6.5411 6.5411 8.4049 8.4049 8.5429 8.5429 9.1996 9.1996 9.9010 9.9010 9.9291 9.9291 10.0127 10.0127 10.4465 10.4465 13.2195 13.2195 17.4900 17.4900 k = 0.5000 0.5000 0.0750 ( 2264 PWs) bands (ev): -14.9628 -14.9628 -7.3837 -7.3837 -7.3023 -7.3023 -7.2779 -7.2779 -1.6426 -1.6426 0.0777 0.0777 0.4341 0.4341 4.0890 4.0890 4.9429 4.9429 5.2403 5.2403 6.3463 6.3463 6.3535 6.3535 6.4887 6.4887 8.4148 8.4148 8.5476 8.5476 9.2008 9.2008 9.9118 9.9118 9.9374 9.9374 10.0183 10.0183 10.5114 10.5114 13.2196 13.2196 17.4701 17.4701 k = 0.5000 0.5000 0.0875 ( 2280 PWs) bands (ev): -14.9614 -14.9614 -7.3786 -7.3786 -7.2987 -7.2987 -7.2749 -7.2749 -1.6570 -1.6570 0.0612 0.0612 0.4055 0.4055 4.0848 4.0848 4.9431 4.9431 5.2756 5.2756 6.3531 6.3531 6.3667 6.3667 6.4303 6.4303 8.4266 8.4266 8.5535 8.5535 9.2022 9.2022 9.9241 9.9241 9.9469 9.9469 10.0248 10.0248 10.5853 10.5853 13.2197 13.2197 17.4471 17.4471 k = 0.5000 0.5000 0.1000 ( 2280 PWs) bands (ev): -14.9597 -14.9597 -7.3727 -7.3727 -7.2946 -7.2946 -7.2715 -7.2715 -1.6733 -1.6733 0.0425 0.0425 0.3736 0.3736 4.0800 4.0800 4.9435 4.9435 5.3151 5.3151 6.3597 6.3597 6.3607 6.3607 6.3883 6.3883 8.4403 8.4403 8.5606 8.5606 9.2037 9.2037 9.9378 9.9378 9.9578 9.9578 10.0323 10.0323 10.6671 10.6671 13.2198 13.2198 17.4210 17.4210 k = 0.5000 0.5000 0.1125 ( 2280 PWs) bands (ev): -14.9579 -14.9579 -7.3662 -7.3662 -7.2900 -7.2900 -7.2676 -7.2676 -1.6915 -1.6915 0.0218 0.0218 0.3386 0.3386 4.0743 4.0743 4.9438 4.9438 5.3584 5.3584 6.2939 6.2939 6.3689 6.3689 6.4021 6.4021 8.4560 8.4560 8.5691 8.5691 9.2055 9.2055 9.9529 9.9529 9.9700 9.9700 10.0407 10.0407 10.7557 10.7557 13.2199 13.2199 17.3922 17.3922 k = 0.5000 0.5000 0.1250 ( 2280 PWs) bands (ev): -14.9559 -14.9559 -7.3591 -7.3591 -7.2850 -7.2850 -7.2633 -7.2633 -1.7114 -1.7114 -0.0008 -0.0008 0.3009 0.3009 4.0677 4.0677 4.9442 4.9442 5.4050 5.4050 6.2220 6.2220 6.3777 6.3777 6.4198 6.4198 8.4737 8.4737 8.5791 8.5791 9.2074 9.2074 9.9692 9.9692 9.9833 9.9833 10.0501 10.0501 10.8501 10.8501 13.2200 13.2200 17.3608 17.3608 k = 0.5000 0.5000 0.1375 ( 2276 PWs) bands (ev): -14.9538 -14.9538 -7.3513 -7.3513 -7.2796 -7.2796 -7.2587 -7.2587 -1.7328 -1.7328 -0.0251 -0.0251 0.2609 0.2609 4.0602 4.0602 4.9445 4.9445 5.4544 5.4544 6.1475 6.1475 6.3869 6.3869 6.4387 6.4387 8.4933 8.4933 8.5907 8.5907 9.2095 9.2095 9.9865 9.9865 9.9977 9.9977 10.0603 10.0603 10.9493 10.9493 13.2202 13.2202 17.3271 17.3271 k = 0.5000 0.5000 0.1500 ( 2284 PWs) bands (ev): -14.9515 -14.9515 -7.3429 -7.3429 -7.2737 -7.2737 -7.2538 -7.2538 -1.7556 -1.7556 -0.0508 -0.0508 0.2190 0.2190 4.0517 4.0517 4.9449 4.9449 5.5061 5.5061 6.0714 6.0714 6.3965 6.3965 6.4584 6.4584 8.5149 8.5149 8.6039 8.6039 9.2117 9.2117 10.0048 10.0048 10.0131 10.0131 10.0714 10.0714 11.0523 11.0523 13.2202 13.2202 17.2912 17.2912 k = 0.5000 0.5000 0.1625 ( 2300 PWs) bands (ev): -14.9491 -14.9491 -7.3341 -7.3341 -7.2675 -7.2675 -7.2486 -7.2486 -1.7796 -1.7796 -0.0779 -0.0779 0.1755 0.1755 4.0421 4.0421 4.9453 4.9453 5.5596 5.5596 5.9947 5.9947 6.4063 6.4063 6.4783 6.4783 8.5384 8.5384 8.6190 8.6190 9.2140 9.2140 10.0238 10.0238 10.0293 10.0293 10.0832 10.0832 11.1584 11.1584 13.2204 13.2204 17.2535 17.2535 k = 0.5000 0.5000 0.1750 ( 2300 PWs) bands (ev): -14.9465 -14.9465 -7.3247 -7.3247 -7.2609 -7.2609 -7.2430 -7.2430 -1.8047 -1.8047 -0.1060 -0.1060 0.1309 0.1309 4.0313 4.0313 4.9458 4.9458 5.6144 5.6144 5.9182 5.9182 6.4164 6.4164 6.4985 6.4985 8.5639 8.5639 8.6360 8.6360 9.2165 9.2165 10.0436 10.0436 10.0464 10.0464 10.0957 10.0957 11.2668 11.2668 13.2205 13.2205 17.2142 17.2142 k = 0.5000 0.5000 0.1875 ( 2300 PWs) bands (ev): -14.9438 -14.9438 -7.3150 -7.3150 -7.2541 -7.2541 -7.2372 -7.2372 -1.8308 -1.8308 -0.1351 -0.1351 0.0853 0.0853 4.0193 4.0193 4.9462 4.9462 5.6700 5.6700 5.8424 5.8424 6.4266 6.4266 6.5186 6.5186 8.5912 8.5912 8.6549 8.6549 9.2190 9.2190 10.0640 10.0640 10.0643 10.0643 10.1090 10.1090 11.3767 11.3767 13.2207 13.2207 17.1735 17.1735 k = 0.5000 0.5000 0.2000 ( 2292 PWs) bands (ev): -14.9411 -14.9411 -7.3049 -7.3049 -7.2469 -7.2469 -7.2312 -7.2312 -1.8576 -1.8576 -0.1649 -0.1649 0.0393 0.0393 4.0061 4.0061 4.9468 4.9468 5.7259 5.7259 5.7681 5.7681 6.4370 6.4370 6.5384 6.5384 8.6203 8.6203 8.6757 8.6757 9.2217 9.2217 10.0827 10.0827 10.0848 10.0848 10.1228 10.1228 11.4875 11.4875 13.2210 13.2210 17.1316 17.1316 k = 0.5000 0.5000 0.2125 ( 2300 PWs) bands (ev): -14.9382 -14.9382 -7.2944 -7.2944 -7.2396 -7.2396 -7.2251 -7.2251 -1.8849 -1.8849 -0.1952 -0.1952 -0.0071 -0.0071 3.9915 3.9915 4.9472 4.9472 5.6958 5.6958 5.7816 5.7816 6.4475 6.4475 6.5576 6.5576 8.6510 8.6510 8.6985 8.6985 9.2244 9.2244 10.1016 10.1016 10.1058 10.1058 10.1372 10.1372 11.5986 11.5986 13.2212 13.2212 17.0889 17.0889 k = 0.5000 0.5000 0.2250 ( 2292 PWs) bands (ev): -14.9353 -14.9353 -7.2838 -7.2838 -7.2320 -7.2320 -7.2187 -7.2187 -1.9127 -1.9127 -0.2259 -0.2259 -0.0533 -0.0533 3.9755 3.9755 4.9477 4.9477 5.6260 5.6260 5.8367 5.8367 6.4581 6.4581 6.5763 6.5763 8.6832 8.6832 8.7231 8.7231 9.2272 9.2272 10.1210 10.1210 10.1271 10.1271 10.1520 10.1520 11.7096 11.7096 13.2214 13.2214 17.0455 17.0455 k = 0.5000 0.5000 0.2375 ( 2292 PWs) bands (ev): -14.9324 -14.9324 -7.2729 -7.2729 -7.2244 -7.2244 -7.2123 -7.2123 -1.9407 -1.9407 -0.2566 -0.2566 -0.0992 -0.0992 3.9582 3.9582 4.9482 4.9482 5.5591 5.5591 5.8906 5.8906 6.4690 6.4690 6.5940 6.5940 8.7168 8.7168 8.7495 8.7495 9.2300 9.2300 10.1407 10.1407 10.1485 10.1485 10.1672 10.1672 11.8197 11.8197 13.2216 13.2216 17.0017 17.0017 k = 0.5000 0.5000 0.2500 ( 2300 PWs) bands (ev): -14.9294 -14.9294 -7.2620 -7.2620 -7.2166 -7.2166 -7.2058 -7.2058 -1.9688 -1.9688 -0.2874 -0.2874 -0.1445 -0.1445 3.9394 3.9394 4.9488 4.9488 5.4953 5.4953 5.9429 5.9429 6.4800 6.4800 6.6108 6.6108 8.7515 8.7515 8.7776 8.7776 9.2329 9.2329 10.1606 10.1606 10.1697 10.1697 10.1827 10.1827 11.9283 11.9283 13.2218 13.2218 16.9576 16.9576 k = 0.5000 0.5000 0.2625 ( 2300 PWs) bands (ev): -14.9265 -14.9265 -7.2510 -7.2510 -7.2088 -7.2088 -7.1992 -7.1992 -1.9967 -1.9967 -0.3179 -0.3179 -0.1889 -0.1889 3.9193 3.9193 4.9493 4.9493 5.4352 5.4352 5.9932 5.9932 6.4915 6.4915 6.6266 6.6266 8.7872 8.7872 8.8072 8.8072 9.2357 9.2357 10.1807 10.1807 10.1908 10.1908 10.1984 10.1984 12.0354 12.0354 13.2220 13.2220 16.9136 16.9136 k = 0.5000 0.5000 0.2750 ( 2292 PWs) bands (ev): -14.9235 -14.9235 -7.2400 -7.2400 -7.2010 -7.2010 -7.1927 -7.1927 -2.0243 -2.0243 -0.3479 -0.3479 -0.2323 -0.2323 3.8980 3.8980 4.9498 4.9498 5.3788 5.3788 6.0409 6.0409 6.5036 6.5036 6.6413 6.6413 8.8236 8.8236 8.8380 8.8380 9.2386 9.2386 10.2008 10.2008 10.2117 10.2117 10.2142 10.2142 12.1403 12.1403 13.2222 13.2222 16.8697 16.8697 k = 0.5000 0.5000 0.2875 ( 2292 PWs) bands (ev): -14.9206 -14.9206 -7.2291 -7.2291 -7.1932 -7.1932 -7.1862 -7.1862 -2.0515 -2.0515 -0.3774 -0.3774 -0.2744 -0.2744 3.8756 3.8756 4.9503 4.9503 5.3263 5.3263 6.0856 6.0856 6.5164 6.5164 6.6548 6.6548 8.8604 8.8604 8.8699 8.8699 9.2414 9.2414 10.2207 10.2207 10.2299 10.2299 10.2321 10.2321 12.2426 12.2426 13.2224 13.2224 16.8263 16.8263 k = 0.5000 0.5000 0.3000 ( 2300 PWs) bands (ev): -14.9178 -14.9178 -7.2184 -7.2184 -7.1856 -7.1856 -7.1798 -7.1798 -2.0781 -2.0781 -0.4061 -0.4061 -0.3151 -0.3151 3.8523 3.8523 4.9507 4.9507 5.2778 5.2778 6.1270 6.1270 6.5300 6.5300 6.6672 6.6672 8.8974 8.8974 8.9025 8.9025 9.2442 9.2442 10.2403 10.2403 10.2454 10.2454 10.2520 10.2520 12.3418 12.3418 13.2226 13.2226 16.7836 16.7836 k = 0.5000 0.5000 0.3125 ( 2300 PWs) bands (ev): -14.9150 -14.9150 -7.2080 -7.2080 -7.1781 -7.1781 -7.1735 -7.1735 -2.1039 -2.1039 -0.4339 -0.4339 -0.3541 -0.3541 3.8282 3.8282 4.9512 4.9512 5.2333 5.2333 6.1647 6.1647 6.5447 6.5447 6.6784 6.6784 8.9343 8.9343 8.9356 8.9356 9.2469 9.2469 10.2597 10.2597 10.2607 10.2607 10.2712 10.2712 12.4377 12.4377 13.2228 13.2228 16.7416 16.7416 k = 0.5000 0.5000 0.3250 ( 2300 PWs) bands (ev): -14.9123 -14.9123 -7.1978 -7.1978 -7.1708 -7.1708 -7.1673 -7.1673 -2.1288 -2.1288 -0.4607 -0.4607 -0.3913 -0.3913 3.8037 3.8037 4.9517 4.9517 5.1927 5.1927 6.1983 6.1983 6.5604 6.5604 6.6886 6.6886 8.9689 8.9689 8.9708 8.9708 9.2495 9.2495 10.2757 10.2757 10.2785 10.2785 10.2898 10.2898 12.5298 12.5298 13.2230 13.2230 16.7008 16.7008 k = 0.5000 0.5000 0.3375 ( 2300 PWs) bands (ev): -14.9096 -14.9096 -7.1881 -7.1881 -7.1637 -7.1637 -7.1613 -7.1613 -2.1527 -2.1527 -0.4863 -0.4863 -0.4265 -0.4265 3.7790 3.7790 4.9521 4.9521 5.1560 5.1560 6.2279 6.2279 6.5773 6.5773 6.6977 6.6977 9.0019 9.0019 9.0066 9.0066 9.2520 9.2520 10.2902 10.2902 10.2968 10.2968 10.3075 10.3075 12.6177 12.6177 13.2231 13.2231 16.6612 16.6612 k = 0.5000 0.5000 0.3500 ( 2292 PWs) bands (ev): -14.9072 -14.9072 -7.1788 -7.1788 -7.1569 -7.1569 -7.1556 -7.1556 -2.1753 -2.1753 -0.5105 -0.5105 -0.4597 -0.4597 3.7544 3.7544 4.9525 4.9525 5.1230 5.1230 6.2535 6.2535 6.5951 6.5951 6.7058 6.7058 9.0345 9.0345 9.0414 9.0414 9.2545 9.2545 10.3042 10.3042 10.3144 10.3144 10.3244 10.3244 12.7011 12.7011 13.2233 13.2233 16.6230 16.6230 k = 0.5000 0.5000 0.3625 ( 2288 PWs) bands (ev): -14.9048 -14.9048 -7.1700 -7.1700 -7.1505 -7.1505 -7.1501 -7.1501 -2.1967 -2.1967 -0.5332 -0.5332 -0.4907 -0.4907 3.7303 3.7303 4.9529 4.9529 5.0936 5.0936 6.2752 6.2752 6.6134 6.6134 6.7129 6.7129 9.0661 9.0661 9.0748 9.0748 9.2568 9.2568 10.3175 10.3175 10.3312 10.3312 10.3402 10.3402 12.7797 12.7797 13.2235 13.2235 16.5865 16.5865 k = 0.5000 0.5000 0.3750 ( 2296 PWs) bands (ev): -14.9026 -14.9026 -7.1619 -7.1619 -7.1448 -7.1448 -7.1445 -7.1445 -2.2166 -2.2166 -0.5544 -0.5544 -0.5193 -0.5193 3.7069 3.7069 4.9533 4.9533 5.0674 5.0674 6.2933 6.2933 6.6320 6.6320 6.7191 6.7191 9.0964 9.0964 9.1065 9.1065 9.2590 9.2590 10.3300 10.3300 10.3469 10.3469 10.3549 10.3549 12.8528 12.8528 13.2236 13.2236 16.5519 16.5519 k = 0.5000 0.5000 0.3875 ( 2296 PWs) bands (ev): -14.9006 -14.9006 -7.1545 -7.1545 -7.1398 -7.1398 -7.1389 -7.1389 -2.2349 -2.2349 -0.5739 -0.5739 -0.5455 -0.5455 3.6847 3.6847 4.9536 4.9536 5.0446 5.0446 6.3083 6.3083 6.6504 6.6504 6.7244 6.7244 9.1251 9.1251 9.1363 9.1363 9.2610 9.2610 10.3417 10.3417 10.3616 10.3616 10.3684 10.3684 12.9203 12.9203 13.2238 13.2238 16.5194 16.5194 k = 0.5000 0.5000 0.4000 ( 2296 PWs) bands (ev): -14.8987 -14.8987 -7.1478 -7.1478 -7.1351 -7.1351 -7.1338 -7.1338 -2.2516 -2.2516 -0.5916 -0.5916 -0.5692 -0.5692 3.6639 3.6639 4.9539 4.9539 5.0247 5.0247 6.3205 6.3205 6.6681 6.6681 6.7290 6.7290 9.1517 9.1517 9.1639 9.1639 9.2629 9.2629 10.3524 10.3524 10.3751 10.3751 10.3808 10.3808 12.9819 12.9819 13.2239 13.2239 16.4890 16.4890 k = 0.5000 0.5000 0.4125 ( 2296 PWs) bands (ev): -14.8970 -14.8970 -7.1420 -7.1420 -7.1307 -7.1307 -7.1292 -7.1292 -2.2665 -2.2665 -0.6074 -0.6074 -0.5903 -0.5903 3.6448 3.6448 4.9542 4.9542 5.0076 5.0076 6.3304 6.3304 6.6847 6.6847 6.7330 6.7330 9.1761 9.1761 9.1889 9.1889 9.2647 9.2647 10.3621 10.3621 10.3873 10.3873 10.3918 10.3918 13.0372 13.0372 13.2240 13.2240 16.4611 16.4611 k = 0.5000 0.5000 0.4250 ( 2296 PWs) bands (ev): -14.8956 -14.8956 -7.1371 -7.1371 -7.1266 -7.1266 -7.1251 -7.1251 -2.2797 -2.2797 -0.6212 -0.6212 -0.6087 -0.6087 3.6277 3.6277 4.9545 4.9545 4.9932 4.9932 6.3383 6.3383 6.6997 6.6997 6.7362 6.7362 9.1978 9.1978 9.2111 9.2111 9.2664 9.2664 10.3706 10.3706 10.3981 10.3981 10.4015 10.4015 13.0858 13.0858 13.2241 13.2241 16.4358 16.4358 k = 0.5000 0.5000 0.4375 ( 2296 PWs) bands (ev): -14.8943 -14.8943 -7.1331 -7.1331 -7.1228 -7.1228 -7.1216 -7.1216 -2.2909 -2.2909 -0.6331 -0.6331 -0.6244 -0.6244 3.6128 3.6128 4.9547 4.9547 4.9813 4.9813 6.3445 6.3445 6.7130 6.7130 6.7389 6.7389 9.2164 9.2164 9.2304 9.2304 9.2680 9.2680 10.3780 10.3780 10.4074 10.4074 10.4099 10.4099 13.1275 13.1275 13.2242 13.2242 16.4132 16.4132 k = 0.5000 0.5000 0.4500 ( 2296 PWs) bands (ev): -14.8933 -14.8933 -7.1300 -7.1300 -7.1196 -7.1196 -7.1187 -7.1187 -2.3002 -2.3002 -0.6429 -0.6429 -0.6373 -0.6373 3.6003 3.6003 4.9548 4.9548 4.9717 4.9717 6.3493 6.3493 6.7241 6.7241 6.7410 6.7410 9.2317 9.2317 9.2464 9.2464 9.2696 9.2696 10.3842 10.3842 10.4151 10.4151 10.4167 10.4167 13.1621 13.1621 13.2243 13.2243 16.3937 16.3938 k = 0.5000 0.5000 0.4625 ( 2296 PWs) bands (ev): -14.8925 -14.8925 -7.1276 -7.1276 -7.1170 -7.1170 -7.1164 -7.1164 -2.3074 -2.3074 -0.6505 -0.6505 -0.6474 -0.6474 3.5905 3.5905 4.9550 4.9550 4.9644 4.9644 6.3528 6.3528 6.7330 6.7330 6.7426 6.7426 9.2434 9.2434 9.2590 9.2590 9.2714 9.2714 10.3890 10.3890 10.4212 10.4212 10.4221 10.4221 13.1892 13.1892 13.2243 13.2243 16.3777 16.3777 k = 0.5000 0.5000 0.4750 ( 2296 PWs) bands (ev): -14.8919 -14.8919 -7.1259 -7.1259 -7.1150 -7.1150 -7.1148 -7.1148 -2.3126 -2.3126 -0.6560 -0.6560 -0.6546 -0.6546 3.5833 3.5833 4.9551 4.9551 4.9592 4.9592 6.3552 6.3552 6.7394 6.7394 6.7437 6.7437 9.2512 9.2512 9.2682 9.2682 9.2733 9.2733 10.3925 10.3925 10.4255 10.4255 10.4260 10.4260 13.2087 13.2087 13.2244 13.2244 16.3657 16.3667 k = 0.5000 0.5000 0.4875 ( 2292 PWs) bands (ev): -14.8915 -14.8915 -7.1249 -7.1249 -7.1138 -7.1138 -7.1138 -7.1138 -2.3158 -2.3158 -0.6593 -0.6593 -0.6590 -0.6590 3.5790 3.5790 4.9551 4.9551 4.9562 4.9562 6.3567 6.3567 6.7433 6.7433 6.7444 6.7444 9.2555 9.2555 9.2737 9.2737 9.2749 9.2749 10.3946 10.3946 10.4282 10.4282 10.4283 10.4283 13.2205 13.2205 13.2244 13.2244 16.3583 16.3586 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -14.8914 -14.8914 -7.1245 -7.1245 -7.1134 -7.1134 -7.1134 -7.1134 -2.3168 -2.3168 -0.6604 -0.6604 -0.6604 -0.6604 3.5776 3.5776 4.9552 4.9552 4.9552 4.9552 6.3572 6.3572 6.7447 6.7447 6.7447 6.7447 9.2568 9.2568 9.2756 9.2756 9.2756 9.2756 10.3953 10.3953 10.4291 10.4291 10.4291 10.4291 13.2244 13.2244 13.2244 13.2244 16.3557 16.3557 Writing output data file BaFeO3.save init_run : 3.96s CPU 13.40s WALL ( 1 calls) electrons : 578.85s CPU 634.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.13s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 578.84s CPU 585.90s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.51s WALL ( 1 calls) newd : 0.16s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 309 calls) cegterg : 561.89s CPU 566.09s WALL ( 1300 calls) Called by sum_band: Called by *egterg: h_psi : 183.10s CPU 195.61s WALL ( 25104 calls) s_psi : 24.11s CPU 24.67s WALL ( 25104 calls) g_psi : 0.30s CPU 0.52s WALL ( 23495 calls) cdiaghg : 272.81s CPU 266.17s WALL ( 23804 calls) cegterg:over : 38.50s CPU 36.31s WALL ( 23495 calls) cegterg:upda : 3.92s CPU 7.32s WALL ( 23495 calls) cegterg:last : 3.99s CPU 4.92s WALL ( 2529 calls) Called by h_psi: h_psi:vloc : 137.75s CPU 148.81s WALL ( 25104 calls) h_psi:vnl : 45.14s CPU 46.27s WALL ( 25104 calls) add_vuspsi : 14.92s CPU 17.93s WALL ( 25104 calls) General routines calbec : 30.13s CPU 28.17s WALL ( 25104 calls) fft : 0.21s CPU 1.09s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 131.82s CPU 141.33s WALL ( 1274808 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 0.82s WALL ( 618 calls) Parallel routines fft_scatter : 89.57s CPU 97.86s WALL ( 1274831 calls) PWSCF : 10m15.36s CPU 12m 8.04s WALL This run was terminated on: 1: 7:10 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=