Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:27:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaSiO3.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 16 5 661 295 53 Max 28 17 6 666 306 56 Sum 1005 593 185 23871 10779 1935 bravais-lattice index = 14 lattice parameter (alat) = 6.2516 a.u. unit-cell volume = 244.3272 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 6.251592 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 369 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0000000 0.0104167 -0.0000000), wk = 0.0027100 k( 3) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0027100 k( 4) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0027100 k( 5) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0027100 k( 6) = ( 0.0000000 0.0520833 -0.0000000), wk = 0.0027100 k( 7) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027100 k( 8) = ( 0.0000000 0.0729167 -0.0000000), wk = 0.0027100 k( 9) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027100 k( 10) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0027100 k( 11) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0027100 k( 12) = ( 0.0000000 0.1145833 -0.0000000), wk = 0.0027100 k( 13) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027100 k( 14) = ( 0.0000000 0.1354167 -0.0000000), wk = 0.0027100 k( 15) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0027100 k( 16) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0027100 k( 17) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027100 k( 18) = ( 0.0000000 0.1770833 -0.0000000), wk = 0.0027100 k( 19) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027100 k( 20) = ( 0.0000000 0.1979167 -0.0000000), wk = 0.0027100 k( 21) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0027100 k( 22) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0027100 k( 23) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0027100 k( 24) = ( 0.0000000 0.2395833 -0.0000000), wk = 0.0027100 k( 25) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027100 k( 26) = ( 0.0000000 0.2604167 -0.0000000), wk = 0.0027100 k( 27) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0027100 k( 28) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0027100 k( 29) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0027100 k( 30) = ( 0.0000000 0.3020833 -0.0000000), wk = 0.0027100 k( 31) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027100 k( 32) = ( 0.0000000 0.3229167 -0.0000000), wk = 0.0027100 k( 33) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027100 k( 34) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0027100 k( 35) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0027100 k( 36) = ( 0.0000000 0.3645833 -0.0000000), wk = 0.0027100 k( 37) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027100 k( 38) = ( 0.0000000 0.3854167 -0.0000000), wk = 0.0027100 k( 39) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0027100 k( 40) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0027100 k( 41) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027100 k( 42) = ( 0.0000000 0.4270833 -0.0000000), wk = 0.0027100 k( 43) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027100 k( 44) = ( 0.0000000 0.4479167 -0.0000000), wk = 0.0027100 k( 45) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0027100 k( 46) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0027100 k( 47) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0027100 k( 48) = ( 0.0000000 0.4895833 -0.0000000), wk = 0.0027100 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 51) = ( 0.0104167 0.5000000 -0.0000000), wk = 0.0027100 k( 52) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0027100 k( 53) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0027100 k( 54) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0027100 k( 55) = ( 0.0520833 0.5000000 -0.0000000), wk = 0.0027100 k( 56) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027100 k( 57) = ( 0.0729167 0.5000000 -0.0000000), wk = 0.0027100 k( 58) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027100 k( 59) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0027100 k( 60) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0027100 k( 61) = ( 0.1145833 0.5000000 -0.0000000), wk = 0.0027100 k( 62) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027100 k( 63) = ( 0.1354167 0.5000000 -0.0000000), wk = 0.0027100 k( 64) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0027100 k( 65) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0027100 k( 66) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027100 k( 67) = ( 0.1770833 0.5000000 -0.0000000), wk = 0.0027100 k( 68) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027100 k( 69) = ( 0.1979167 0.5000000 -0.0000000), wk = 0.0027100 k( 70) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0027100 k( 71) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0027100 k( 72) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0027100 k( 73) = ( 0.2395833 0.5000000 -0.0000000), wk = 0.0027100 k( 74) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027100 k( 75) = ( 0.2604167 0.5000000 -0.0000000), wk = 0.0027100 k( 76) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0027100 k( 77) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0027100 k( 78) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0027100 k( 79) = ( 0.3020833 0.5000000 -0.0000000), wk = 0.0027100 k( 80) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027100 k( 81) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0027100 k( 82) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027100 k( 83) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0027100 k( 84) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0027100 k( 85) = ( 0.3645833 0.5000000 -0.0000000), wk = 0.0027100 k( 86) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027100 k( 87) = ( 0.3854167 0.5000000 -0.0000000), wk = 0.0027100 k( 88) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0027100 k( 89) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0027100 k( 90) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027100 k( 91) = ( 0.4270833 0.5000000 -0.0000000), wk = 0.0027100 k( 92) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027100 k( 93) = ( 0.4479167 0.5000000 -0.0000000), wk = 0.0027100 k( 94) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0027100 k( 95) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0027100 k( 96) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0027100 k( 97) = ( 0.4895833 0.5000000 -0.0000000), wk = 0.0027100 k( 98) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 99) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 100) = ( 0.4926471 0.4926471 -0.0000000), wk = 0.0027100 k( 101) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0027100 k( 102) = ( 0.4779412 0.4779412 -0.0000000), wk = 0.0027100 k( 103) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0027100 k( 104) = ( 0.4632353 0.4632353 -0.0000000), wk = 0.0027100 k( 105) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0027100 k( 106) = ( 0.4485294 0.4485294 -0.0000000), wk = 0.0027100 k( 107) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0027100 k( 108) = ( 0.4338235 0.4338235 -0.0000000), wk = 0.0027100 k( 109) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0027100 k( 110) = ( 0.4191177 0.4191176 -0.0000000), wk = 0.0027100 k( 111) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0027100 k( 112) = ( 0.4044118 0.4044118 -0.0000000), wk = 0.0027100 k( 113) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0027100 k( 114) = ( 0.3897059 0.3897059 -0.0000000), wk = 0.0027100 k( 115) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0027100 k( 116) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027100 k( 117) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0027100 k( 118) = ( 0.3602941 0.3602941 -0.0000000), wk = 0.0027100 k( 119) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0027100 k( 120) = ( 0.3455882 0.3455882 -0.0000000), wk = 0.0027100 k( 121) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0027100 k( 122) = ( 0.3308823 0.3308823 -0.0000000), wk = 0.0027100 k( 123) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0027100 k( 124) = ( 0.3161765 0.3161765 -0.0000000), wk = 0.0027100 k( 125) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0027100 k( 126) = ( 0.3014706 0.3014706 -0.0000000), wk = 0.0027100 k( 127) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0027100 k( 128) = ( 0.2867647 0.2867647 -0.0000000), wk = 0.0027100 k( 129) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0027100 k( 130) = ( 0.2720588 0.2720588 -0.0000000), wk = 0.0027100 k( 131) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0027100 k( 132) = ( 0.2573529 0.2573529 -0.0000000), wk = 0.0027100 k( 133) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027100 k( 134) = ( 0.2426471 0.2426471 -0.0000000), wk = 0.0027100 k( 135) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0027100 k( 136) = ( 0.2279412 0.2279412 -0.0000000), wk = 0.0027100 k( 137) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0027100 k( 138) = ( 0.2132353 0.2132353 -0.0000000), wk = 0.0027100 k( 139) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0027100 k( 140) = ( 0.1985294 0.1985294 -0.0000000), wk = 0.0027100 k( 141) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0027100 k( 142) = ( 0.1838235 0.1838235 -0.0000000), wk = 0.0027100 k( 143) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0027100 k( 144) = ( 0.1691177 0.1691176 -0.0000000), wk = 0.0027100 k( 145) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0027100 k( 146) = ( 0.1544118 0.1544118 -0.0000000), wk = 0.0027100 k( 147) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0027100 k( 148) = ( 0.1397059 0.1397059 -0.0000000), wk = 0.0027100 k( 149) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0027100 k( 150) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027100 k( 151) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0027100 k( 152) = ( 0.1102941 0.1102941 -0.0000000), wk = 0.0027100 k( 153) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0027100 k( 154) = ( 0.0955882 0.0955882 -0.0000000), wk = 0.0027100 k( 155) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0027100 k( 156) = ( 0.0808824 0.0808823 -0.0000000), wk = 0.0027100 k( 157) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0027100 k( 158) = ( 0.0661765 0.0661765 -0.0000000), wk = 0.0027100 k( 159) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0027100 k( 160) = ( 0.0514706 0.0514706 -0.0000000), wk = 0.0027100 k( 161) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0027100 k( 162) = ( 0.0367647 0.0367647 -0.0000000), wk = 0.0027100 k( 163) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0027100 k( 164) = ( 0.0220588 0.0220588 -0.0000000), wk = 0.0027100 k( 165) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0027100 k( 166) = ( 0.0073529 0.0073529 -0.0000000), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 169) = ( 0.0060241 0.0060241 0.0060241), wk = 0.0027100 k( 170) = ( 0.0120482 0.0120482 0.0120482), wk = 0.0027100 k( 171) = ( 0.0180723 0.0180723 0.0180723), wk = 0.0027100 k( 172) = ( 0.0240964 0.0240964 0.0240964), wk = 0.0027100 k( 173) = ( 0.0301205 0.0301205 0.0301205), wk = 0.0027100 k( 174) = ( 0.0361446 0.0361446 0.0361446), wk = 0.0027100 k( 175) = ( 0.0421687 0.0421687 0.0421687), wk = 0.0027100 k( 176) = ( 0.0481928 0.0481928 0.0481928), wk = 0.0027100 k( 177) = ( 0.0542169 0.0542169 0.0542169), wk = 0.0027100 k( 178) = ( 0.0602410 0.0602410 0.0602410), wk = 0.0027100 k( 179) = ( 0.0662651 0.0662651 0.0662651), wk = 0.0027100 k( 180) = ( 0.0722892 0.0722892 0.0722892), wk = 0.0027100 k( 181) = ( 0.0783133 0.0783132 0.0783132), wk = 0.0027100 k( 182) = ( 0.0843374 0.0843373 0.0843373), wk = 0.0027100 k( 183) = ( 0.0903614 0.0903614 0.0903614), wk = 0.0027100 k( 184) = ( 0.0963855 0.0963855 0.0963855), wk = 0.0027100 k( 185) = ( 0.1024096 0.1024096 0.1024096), wk = 0.0027100 k( 186) = ( 0.1084337 0.1084337 0.1084337), wk = 0.0027100 k( 187) = ( 0.1144578 0.1144578 0.1144578), wk = 0.0027100 k( 188) = ( 0.1204819 0.1204819 0.1204819), wk = 0.0027100 k( 189) = ( 0.1265060 0.1265060 0.1265060), wk = 0.0027100 k( 190) = ( 0.1325301 0.1325301 0.1325301), wk = 0.0027100 k( 191) = ( 0.1385542 0.1385542 0.1385542), wk = 0.0027100 k( 192) = ( 0.1445783 0.1445783 0.1445783), wk = 0.0027100 k( 193) = ( 0.1506024 0.1506024 0.1506024), wk = 0.0027100 k( 194) = ( 0.1566265 0.1566265 0.1566265), wk = 0.0027100 k( 195) = ( 0.1626506 0.1626506 0.1626506), wk = 0.0027100 k( 196) = ( 0.1686747 0.1686747 0.1686747), wk = 0.0027100 k( 197) = ( 0.1746988 0.1746988 0.1746988), wk = 0.0027100 k( 198) = ( 0.1807229 0.1807229 0.1807229), wk = 0.0027100 k( 199) = ( 0.1867470 0.1867470 0.1867470), wk = 0.0027100 k( 200) = ( 0.1927711 0.1927711 0.1927711), wk = 0.0027100 k( 201) = ( 0.1987952 0.1987952 0.1987952), wk = 0.0027100 k( 202) = ( 0.2048193 0.2048193 0.2048193), wk = 0.0027100 k( 203) = ( 0.2108434 0.2108434 0.2108434), wk = 0.0027100 k( 204) = ( 0.2168675 0.2168675 0.2168675), wk = 0.0027100 k( 205) = ( 0.2228916 0.2228916 0.2228916), wk = 0.0027100 k( 206) = ( 0.2289157 0.2289157 0.2289157), wk = 0.0027100 k( 207) = ( 0.2349398 0.2349398 0.2349398), wk = 0.0027100 k( 208) = ( 0.2409639 0.2409639 0.2409639), wk = 0.0027100 k( 209) = ( 0.2469880 0.2469879 0.2469879), wk = 0.0027100 k( 210) = ( 0.2530120 0.2530120 0.2530120), wk = 0.0027100 k( 211) = ( 0.2590361 0.2590361 0.2590361), wk = 0.0027100 k( 212) = ( 0.2650602 0.2650602 0.2650602), wk = 0.0027100 k( 213) = ( 0.2710843 0.2710843 0.2710843), wk = 0.0027100 k( 214) = ( 0.2771084 0.2771084 0.2771084), wk = 0.0027100 k( 215) = ( 0.2831325 0.2831325 0.2831325), wk = 0.0027100 k( 216) = ( 0.2891566 0.2891566 0.2891566), wk = 0.0027100 k( 217) = ( 0.2951807 0.2951807 0.2951807), wk = 0.0027100 k( 218) = ( 0.3012048 0.3012048 0.3012048), wk = 0.0027100 k( 219) = ( 0.3072289 0.3072289 0.3072289), wk = 0.0027100 k( 220) = ( 0.3132530 0.3132530 0.3132530), wk = 0.0027100 k( 221) = ( 0.3192771 0.3192771 0.3192771), wk = 0.0027100 k( 222) = ( 0.3253012 0.3253012 0.3253012), wk = 0.0027100 k( 223) = ( 0.3313253 0.3313253 0.3313253), wk = 0.0027100 k( 224) = ( 0.3373494 0.3373494 0.3373494), wk = 0.0027100 k( 225) = ( 0.3433735 0.3433735 0.3433735), wk = 0.0027100 k( 226) = ( 0.3493976 0.3493976 0.3493976), wk = 0.0027100 k( 227) = ( 0.3554217 0.3554217 0.3554217), wk = 0.0027100 k( 228) = ( 0.3614458 0.3614458 0.3614458), wk = 0.0027100 k( 229) = ( 0.3674699 0.3674699 0.3674699), wk = 0.0027100 k( 230) = ( 0.3734940 0.3734940 0.3734940), wk = 0.0027100 k( 231) = ( 0.3795181 0.3795181 0.3795181), wk = 0.0027100 k( 232) = ( 0.3855422 0.3855422 0.3855422), wk = 0.0027100 k( 233) = ( 0.3915663 0.3915663 0.3915663), wk = 0.0027100 k( 234) = ( 0.3975904 0.3975904 0.3975904), wk = 0.0027100 k( 235) = ( 0.4036145 0.4036145 0.4036145), wk = 0.0027100 k( 236) = ( 0.4096385 0.4096385 0.4096385), wk = 0.0027100 k( 237) = ( 0.4156627 0.4156626 0.4156626), wk = 0.0027100 k( 238) = ( 0.4216867 0.4216867 0.4216867), wk = 0.0027100 k( 239) = ( 0.4277108 0.4277108 0.4277108), wk = 0.0027100 k( 240) = ( 0.4337349 0.4337349 0.4337349), wk = 0.0027100 k( 241) = ( 0.4397590 0.4397590 0.4397590), wk = 0.0027100 k( 242) = ( 0.4457831 0.4457831 0.4457831), wk = 0.0027100 k( 243) = ( 0.4518072 0.4518072 0.4518072), wk = 0.0027100 k( 244) = ( 0.4578313 0.4578313 0.4578313), wk = 0.0027100 k( 245) = ( 0.4638554 0.4638554 0.4638554), wk = 0.0027100 k( 246) = ( 0.4698795 0.4698795 0.4698795), wk = 0.0027100 k( 247) = ( 0.4759036 0.4759036 0.4759036), wk = 0.0027100 k( 248) = ( 0.4819277 0.4819277 0.4819277), wk = 0.0027100 k( 249) = ( 0.4879518 0.4879518 0.4879518), wk = 0.0027100 k( 250) = ( 0.4939759 0.4939759 0.4939759), wk = 0.0027100 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 253) = ( 0.4926471 0.5000000 0.4926471), wk = 0.0027100 k( 254) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0027100 k( 255) = ( 0.4779412 0.5000000 0.4779412), wk = 0.0027100 k( 256) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0027100 k( 257) = ( 0.4632353 0.5000000 0.4632353), wk = 0.0027100 k( 258) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0027100 k( 259) = ( 0.4485294 0.5000000 0.4485294), wk = 0.0027100 k( 260) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0027100 k( 261) = ( 0.4338235 0.5000000 0.4338235), wk = 0.0027100 k( 262) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0027100 k( 263) = ( 0.4191177 0.5000000 0.4191176), wk = 0.0027100 k( 264) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0027100 k( 265) = ( 0.4044118 0.5000000 0.4044118), wk = 0.0027100 k( 266) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0027100 k( 267) = ( 0.3897059 0.5000000 0.3897059), wk = 0.0027100 k( 268) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0027100 k( 269) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0027100 k( 270) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0027100 k( 271) = ( 0.3602941 0.5000000 0.3602941), wk = 0.0027100 k( 272) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0027100 k( 273) = ( 0.3455882 0.5000000 0.3455882), wk = 0.0027100 k( 274) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0027100 k( 275) = ( 0.3308823 0.5000000 0.3308823), wk = 0.0027100 k( 276) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0027100 k( 277) = ( 0.3161765 0.5000000 0.3161765), wk = 0.0027100 k( 278) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0027100 k( 279) = ( 0.3014706 0.5000000 0.3014706), wk = 0.0027100 k( 280) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0027100 k( 281) = ( 0.2867647 0.5000000 0.2867647), wk = 0.0027100 k( 282) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0027100 k( 283) = ( 0.2720588 0.5000000 0.2720588), wk = 0.0027100 k( 284) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0027100 k( 285) = ( 0.2573529 0.5000000 0.2573529), wk = 0.0027100 k( 286) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027100 k( 287) = ( 0.2426471 0.5000000 0.2426471), wk = 0.0027100 k( 288) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0027100 k( 289) = ( 0.2279412 0.5000000 0.2279412), wk = 0.0027100 k( 290) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0027100 k( 291) = ( 0.2132353 0.5000000 0.2132353), wk = 0.0027100 k( 292) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0027100 k( 293) = ( 0.1985294 0.5000000 0.1985294), wk = 0.0027100 k( 294) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0027100 k( 295) = ( 0.1838235 0.5000000 0.1838235), wk = 0.0027100 k( 296) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0027100 k( 297) = ( 0.1691177 0.5000000 0.1691176), wk = 0.0027100 k( 298) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0027100 k( 299) = ( 0.1544118 0.5000000 0.1544118), wk = 0.0027100 k( 300) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0027100 k( 301) = ( 0.1397059 0.5000000 0.1397059), wk = 0.0027100 k( 302) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0027100 k( 303) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0027100 k( 304) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0027100 k( 305) = ( 0.1102941 0.5000000 0.1102941), wk = 0.0027100 k( 306) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0027100 k( 307) = ( 0.0955882 0.5000000 0.0955882), wk = 0.0027100 k( 308) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0027100 k( 309) = ( 0.0808824 0.5000000 0.0808823), wk = 0.0027100 k( 310) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0027100 k( 311) = ( 0.0661765 0.5000000 0.0661765), wk = 0.0027100 k( 312) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0027100 k( 313) = ( 0.0514706 0.5000000 0.0514706), wk = 0.0027100 k( 314) = ( 0.0441177 0.5000000 0.0441176), wk = 0.0027100 k( 315) = ( 0.0367647 0.5000000 0.0367647), wk = 0.0027100 k( 316) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0027100 k( 317) = ( 0.0220588 0.5000000 0.0220588), wk = 0.0027100 k( 318) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0027100 k( 319) = ( 0.0073529 0.5000000 0.0073529), wk = 0.0027100 k( 320) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 322) = ( 0.5000000 0.5000000 0.0104167), wk = 0.0027100 k( 323) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0027100 k( 324) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0027100 k( 325) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0027100 k( 326) = ( 0.5000000 0.5000000 0.0520833), wk = 0.0027100 k( 327) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0027100 k( 328) = ( 0.5000000 0.5000000 0.0729167), wk = 0.0027100 k( 329) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027100 k( 330) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0027100 k( 331) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0027100 k( 332) = ( 0.5000000 0.5000000 0.1145833), wk = 0.0027100 k( 333) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027100 k( 334) = ( 0.5000000 0.5000000 0.1354167), wk = 0.0027100 k( 335) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0027100 k( 336) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0027100 k( 337) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027100 k( 338) = ( 0.5000000 0.5000000 0.1770833), wk = 0.0027100 k( 339) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0027100 k( 340) = ( 0.5000000 0.5000000 0.1979167), wk = 0.0027100 k( 341) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0027100 k( 342) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0027100 k( 343) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0027100 k( 344) = ( 0.5000000 0.5000000 0.2395833), wk = 0.0027100 k( 345) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027100 k( 346) = ( 0.5000000 0.5000000 0.2604167), wk = 0.0027100 k( 347) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0027100 k( 348) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0027100 k( 349) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0027100 k( 350) = ( 0.5000000 0.5000000 0.3020833), wk = 0.0027100 k( 351) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0027100 k( 352) = ( 0.5000000 0.5000000 0.3229167), wk = 0.0027100 k( 353) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027100 k( 354) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0027100 k( 355) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0027100 k( 356) = ( 0.5000000 0.5000000 0.3645833), wk = 0.0027100 k( 357) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027100 k( 358) = ( 0.5000000 0.5000000 0.3854167), wk = 0.0027100 k( 359) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0027100 k( 360) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0027100 k( 361) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027100 k( 362) = ( 0.5000000 0.5000000 0.4270833), wk = 0.0027100 k( 363) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0027100 k( 364) = ( 0.5000000 0.5000000 0.4479167), wk = 0.0027100 k( 365) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0027100 k( 366) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0027100 k( 367) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0027100 k( 368) = ( 0.5000000 0.5000000 0.4895833), wk = 0.0027100 k( 369) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0000000 0.0104167 0.0000000), wk = 0.0027100 k( 3) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0027100 k( 4) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0027100 k( 5) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0027100 k( 6) = ( 0.0000000 0.0520833 0.0000000), wk = 0.0027100 k( 7) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0027100 k( 8) = ( 0.0000000 0.0729167 0.0000000), wk = 0.0027100 k( 9) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0027100 k( 10) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0027100 k( 11) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0027100 k( 12) = ( 0.0000000 0.1145833 0.0000000), wk = 0.0027100 k( 13) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0027100 k( 14) = ( 0.0000000 0.1354167 0.0000000), wk = 0.0027100 k( 15) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0027100 k( 16) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0027100 k( 17) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0027100 k( 18) = ( 0.0000000 0.1770833 0.0000000), wk = 0.0027100 k( 19) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0027100 k( 20) = ( 0.0000000 0.1979167 0.0000000), wk = 0.0027100 k( 21) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0027100 k( 22) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0027100 k( 23) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0027100 k( 24) = ( 0.0000000 0.2395833 0.0000000), wk = 0.0027100 k( 25) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0027100 k( 26) = ( 0.0000000 0.2604167 0.0000000), wk = 0.0027100 k( 27) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0027100 k( 28) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0027100 k( 29) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0027100 k( 30) = ( 0.0000000 0.3020833 0.0000000), wk = 0.0027100 k( 31) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0027100 k( 32) = ( 0.0000000 0.3229167 0.0000000), wk = 0.0027100 k( 33) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0027100 k( 34) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0027100 k( 35) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0027100 k( 36) = ( 0.0000000 0.3645833 0.0000000), wk = 0.0027100 k( 37) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027100 k( 38) = ( 0.0000000 0.3854167 0.0000000), wk = 0.0027100 k( 39) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0027100 k( 40) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0027100 k( 41) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0027100 k( 42) = ( 0.0000000 0.4270833 0.0000000), wk = 0.0027100 k( 43) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0027100 k( 44) = ( 0.0000000 0.4479167 0.0000000), wk = 0.0027100 k( 45) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0027100 k( 46) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0027100 k( 47) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0027100 k( 48) = ( 0.0000000 0.4895833 0.0000000), wk = 0.0027100 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 51) = ( 0.0104167 0.5000000 0.0000000), wk = 0.0027100 k( 52) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0027100 k( 53) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0027100 k( 54) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0027100 k( 55) = ( 0.0520833 0.5000000 0.0000000), wk = 0.0027100 k( 56) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0027100 k( 57) = ( 0.0729167 0.5000000 0.0000000), wk = 0.0027100 k( 58) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0027100 k( 59) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0027100 k( 60) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0027100 k( 61) = ( 0.1145833 0.5000000 0.0000000), wk = 0.0027100 k( 62) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027100 k( 63) = ( 0.1354167 0.5000000 0.0000000), wk = 0.0027100 k( 64) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0027100 k( 65) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0027100 k( 66) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027100 k( 67) = ( 0.1770833 0.5000000 0.0000000), wk = 0.0027100 k( 68) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027100 k( 69) = ( 0.1979167 0.5000000 0.0000000), wk = 0.0027100 k( 70) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0027100 k( 71) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0027100 k( 72) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0027100 k( 73) = ( 0.2395833 0.5000000 0.0000000), wk = 0.0027100 k( 74) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027100 k( 75) = ( 0.2604167 0.5000000 0.0000000), wk = 0.0027100 k( 76) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0027100 k( 77) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0027100 k( 78) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0027100 k( 79) = ( 0.3020833 0.5000000 0.0000000), wk = 0.0027100 k( 80) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0027100 k( 81) = ( 0.3229167 0.5000000 0.0000000), wk = 0.0027100 k( 82) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027100 k( 83) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0027100 k( 84) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0027100 k( 85) = ( 0.3645833 0.5000000 0.0000000), wk = 0.0027100 k( 86) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0027100 k( 87) = ( 0.3854167 0.5000000 0.0000000), wk = 0.0027100 k( 88) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0027100 k( 89) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0027100 k( 90) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0027100 k( 91) = ( 0.4270833 0.5000000 0.0000000), wk = 0.0027100 k( 92) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0027100 k( 93) = ( 0.4479167 0.5000000 -0.0000000), wk = 0.0027100 k( 94) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0027100 k( 95) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0027100 k( 96) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0027100 k( 97) = ( 0.4895833 0.5000000 0.0000000), wk = 0.0027100 k( 98) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 99) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 100) = ( 0.4926471 0.4926471 0.0000000), wk = 0.0027100 k( 101) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0027100 k( 102) = ( 0.4779412 0.4779412 0.0000000), wk = 0.0027100 k( 103) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0027100 k( 104) = ( 0.4632353 0.4632353 0.0000000), wk = 0.0027100 k( 105) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0027100 k( 106) = ( 0.4485294 0.4485294 0.0000000), wk = 0.0027100 k( 107) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0027100 k( 108) = ( 0.4338235 0.4338235 0.0000000), wk = 0.0027100 k( 109) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0027100 k( 110) = ( 0.4191177 0.4191177 0.0000000), wk = 0.0027100 k( 111) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0027100 k( 112) = ( 0.4044118 0.4044118 0.0000000), wk = 0.0027100 k( 113) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0027100 k( 114) = ( 0.3897059 0.3897059 0.0000000), wk = 0.0027100 k( 115) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0027100 k( 116) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0027100 k( 117) = ( 0.3676471 0.3676471 0.0000000), wk = 0.0027100 k( 118) = ( 0.3602941 0.3602941 0.0000000), wk = 0.0027100 k( 119) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0027100 k( 120) = ( 0.3455882 0.3455882 0.0000000), wk = 0.0027100 k( 121) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0027100 k( 122) = ( 0.3308823 0.3308823 0.0000000), wk = 0.0027100 k( 123) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0027100 k( 124) = ( 0.3161765 0.3161765 0.0000000), wk = 0.0027100 k( 125) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0027100 k( 126) = ( 0.3014706 0.3014706 0.0000000), wk = 0.0027100 k( 127) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0027100 k( 128) = ( 0.2867647 0.2867647 0.0000000), wk = 0.0027100 k( 129) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0027100 k( 130) = ( 0.2720588 0.2720588 0.0000000), wk = 0.0027100 k( 131) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0027100 k( 132) = ( 0.2573529 0.2573529 0.0000000), wk = 0.0027100 k( 133) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027100 k( 134) = ( 0.2426471 0.2426471 0.0000000), wk = 0.0027100 k( 135) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0027100 k( 136) = ( 0.2279412 0.2279412 0.0000000), wk = 0.0027100 k( 137) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0027100 k( 138) = ( 0.2132353 0.2132353 0.0000000), wk = 0.0027100 k( 139) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0027100 k( 140) = ( 0.1985294 0.1985294 0.0000000), wk = 0.0027100 k( 141) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0027100 k( 142) = ( 0.1838235 0.1838235 0.0000000), wk = 0.0027100 k( 143) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0027100 k( 144) = ( 0.1691177 0.1691177 0.0000000), wk = 0.0027100 k( 145) = ( 0.1617647 0.1617647 0.0000000), wk = 0.0027100 k( 146) = ( 0.1544118 0.1544118 0.0000000), wk = 0.0027100 k( 147) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0027100 k( 148) = ( 0.1397059 0.1397059 0.0000000), wk = 0.0027100 k( 149) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0027100 k( 150) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0027100 k( 151) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0027100 k( 152) = ( 0.1102941 0.1102941 0.0000000), wk = 0.0027100 k( 153) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0027100 k( 154) = ( 0.0955882 0.0955882 0.0000000), wk = 0.0027100 k( 155) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0027100 k( 156) = ( 0.0808824 0.0808824 0.0000000), wk = 0.0027100 k( 157) = ( 0.0735294 0.0735294 0.0000000), wk = 0.0027100 k( 158) = ( 0.0661765 0.0661765 0.0000000), wk = 0.0027100 k( 159) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0027100 k( 160) = ( 0.0514706 0.0514706 0.0000000), wk = 0.0027100 k( 161) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0027100 k( 162) = ( 0.0367647 0.0367647 0.0000000), wk = 0.0027100 k( 163) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0027100 k( 164) = ( 0.0220588 0.0220588 0.0000000), wk = 0.0027100 k( 165) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0027100 k( 166) = ( 0.0073529 0.0073529 0.0000000), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 169) = ( 0.0060241 0.0060241 0.0060241), wk = 0.0027100 k( 170) = ( 0.0120482 0.0120482 0.0120482), wk = 0.0027100 k( 171) = ( 0.0180723 0.0180723 0.0180723), wk = 0.0027100 k( 172) = ( 0.0240964 0.0240964 0.0240964), wk = 0.0027100 k( 173) = ( 0.0301205 0.0301205 0.0301205), wk = 0.0027100 k( 174) = ( 0.0361446 0.0361446 0.0361446), wk = 0.0027100 k( 175) = ( 0.0421687 0.0421687 0.0421687), wk = 0.0027100 k( 176) = ( 0.0481928 0.0481928 0.0481928), wk = 0.0027100 k( 177) = ( 0.0542169 0.0542169 0.0542169), wk = 0.0027100 k( 178) = ( 0.0602410 0.0602410 0.0602410), wk = 0.0027100 k( 179) = ( 0.0662651 0.0662651 0.0662651), wk = 0.0027100 k( 180) = ( 0.0722892 0.0722892 0.0722892), wk = 0.0027100 k( 181) = ( 0.0783133 0.0783133 0.0783133), wk = 0.0027100 k( 182) = ( 0.0843374 0.0843374 0.0843374), wk = 0.0027100 k( 183) = ( 0.0903614 0.0903614 0.0903614), wk = 0.0027100 k( 184) = ( 0.0963855 0.0963855 0.0963855), wk = 0.0027100 k( 185) = ( 0.1024096 0.1024096 0.1024096), wk = 0.0027100 k( 186) = ( 0.1084337 0.1084337 0.1084337), wk = 0.0027100 k( 187) = ( 0.1144578 0.1144578 0.1144578), wk = 0.0027100 k( 188) = ( 0.1204819 0.1204819 0.1204819), wk = 0.0027100 k( 189) = ( 0.1265060 0.1265060 0.1265060), wk = 0.0027100 k( 190) = ( 0.1325301 0.1325301 0.1325301), wk = 0.0027100 k( 191) = ( 0.1385542 0.1385542 0.1385542), wk = 0.0027100 k( 192) = ( 0.1445783 0.1445783 0.1445783), wk = 0.0027100 k( 193) = ( 0.1506024 0.1506024 0.1506024), wk = 0.0027100 k( 194) = ( 0.1566265 0.1566265 0.1566265), wk = 0.0027100 k( 195) = ( 0.1626506 0.1626506 0.1626506), wk = 0.0027100 k( 196) = ( 0.1686747 0.1686747 0.1686747), wk = 0.0027100 k( 197) = ( 0.1746988 0.1746988 0.1746988), wk = 0.0027100 k( 198) = ( 0.1807229 0.1807229 0.1807229), wk = 0.0027100 k( 199) = ( 0.1867470 0.1867470 0.1867470), wk = 0.0027100 k( 200) = ( 0.1927711 0.1927711 0.1927711), wk = 0.0027100 k( 201) = ( 0.1987952 0.1987952 0.1987952), wk = 0.0027100 k( 202) = ( 0.2048193 0.2048193 0.2048193), wk = 0.0027100 k( 203) = ( 0.2108434 0.2108434 0.2108434), wk = 0.0027100 k( 204) = ( 0.2168675 0.2168675 0.2168675), wk = 0.0027100 k( 205) = ( 0.2228916 0.2228916 0.2228916), wk = 0.0027100 k( 206) = ( 0.2289157 0.2289157 0.2289157), wk = 0.0027100 k( 207) = ( 0.2349398 0.2349398 0.2349398), wk = 0.0027100 k( 208) = ( 0.2409639 0.2409639 0.2409639), wk = 0.0027100 k( 209) = ( 0.2469880 0.2469880 0.2469880), wk = 0.0027100 k( 210) = ( 0.2530120 0.2530120 0.2530120), wk = 0.0027100 k( 211) = ( 0.2590361 0.2590361 0.2590361), wk = 0.0027100 k( 212) = ( 0.2650602 0.2650602 0.2650602), wk = 0.0027100 k( 213) = ( 0.2710843 0.2710843 0.2710843), wk = 0.0027100 k( 214) = ( 0.2771084 0.2771084 0.2771084), wk = 0.0027100 k( 215) = ( 0.2831325 0.2831325 0.2831325), wk = 0.0027100 k( 216) = ( 0.2891566 0.2891566 0.2891566), wk = 0.0027100 k( 217) = ( 0.2951807 0.2951807 0.2951807), wk = 0.0027100 k( 218) = ( 0.3012048 0.3012048 0.3012048), wk = 0.0027100 k( 219) = ( 0.3072289 0.3072289 0.3072289), wk = 0.0027100 k( 220) = ( 0.3132530 0.3132530 0.3132530), wk = 0.0027100 k( 221) = ( 0.3192771 0.3192771 0.3192771), wk = 0.0027100 k( 222) = ( 0.3253012 0.3253012 0.3253012), wk = 0.0027100 k( 223) = ( 0.3313253 0.3313253 0.3313253), wk = 0.0027100 k( 224) = ( 0.3373494 0.3373494 0.3373494), wk = 0.0027100 k( 225) = ( 0.3433735 0.3433735 0.3433735), wk = 0.0027100 k( 226) = ( 0.3493976 0.3493976 0.3493976), wk = 0.0027100 k( 227) = ( 0.3554217 0.3554217 0.3554217), wk = 0.0027100 k( 228) = ( 0.3614458 0.3614458 0.3614458), wk = 0.0027100 k( 229) = ( 0.3674699 0.3674699 0.3674699), wk = 0.0027100 k( 230) = ( 0.3734940 0.3734940 0.3734940), wk = 0.0027100 k( 231) = ( 0.3795181 0.3795181 0.3795181), wk = 0.0027100 k( 232) = ( 0.3855422 0.3855422 0.3855422), wk = 0.0027100 k( 233) = ( 0.3915663 0.3915663 0.3915663), wk = 0.0027100 k( 234) = ( 0.3975904 0.3975904 0.3975904), wk = 0.0027100 k( 235) = ( 0.4036145 0.4036145 0.4036145), wk = 0.0027100 k( 236) = ( 0.4096385 0.4096385 0.4096385), wk = 0.0027100 k( 237) = ( 0.4156627 0.4156627 0.4156627), wk = 0.0027100 k( 238) = ( 0.4216867 0.4216867 0.4216867), wk = 0.0027100 k( 239) = ( 0.4277108 0.4277108 0.4277108), wk = 0.0027100 k( 240) = ( 0.4337349 0.4337349 0.4337349), wk = 0.0027100 k( 241) = ( 0.4397590 0.4397590 0.4397590), wk = 0.0027100 k( 242) = ( 0.4457831 0.4457831 0.4457831), wk = 0.0027100 k( 243) = ( 0.4518072 0.4518072 0.4518072), wk = 0.0027100 k( 244) = ( 0.4578313 0.4578313 0.4578313), wk = 0.0027100 k( 245) = ( 0.4638554 0.4638554 0.4638554), wk = 0.0027100 k( 246) = ( 0.4698795 0.4698795 0.4698795), wk = 0.0027100 k( 247) = ( 0.4759036 0.4759036 0.4759036), wk = 0.0027100 k( 248) = ( 0.4819277 0.4819277 0.4819277), wk = 0.0027100 k( 249) = ( 0.4879518 0.4879518 0.4879518), wk = 0.0027100 k( 250) = ( 0.4939759 0.4939759 0.4939759), wk = 0.0027100 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 253) = ( 0.4926471 0.5000000 0.4926471), wk = 0.0027100 k( 254) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0027100 k( 255) = ( 0.4779412 0.5000000 0.4779412), wk = 0.0027100 k( 256) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0027100 k( 257) = ( 0.4632353 0.5000000 0.4632353), wk = 0.0027100 k( 258) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0027100 k( 259) = ( 0.4485294 0.5000000 0.4485294), wk = 0.0027100 k( 260) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0027100 k( 261) = ( 0.4338235 0.5000000 0.4338235), wk = 0.0027100 k( 262) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0027100 k( 263) = ( 0.4191177 0.5000000 0.4191177), wk = 0.0027100 k( 264) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0027100 k( 265) = ( 0.4044118 0.5000000 0.4044118), wk = 0.0027100 k( 266) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0027100 k( 267) = ( 0.3897059 0.5000000 0.3897059), wk = 0.0027100 k( 268) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0027100 k( 269) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0027100 k( 270) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0027100 k( 271) = ( 0.3602941 0.5000000 0.3602941), wk = 0.0027100 k( 272) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0027100 k( 273) = ( 0.3455882 0.5000000 0.3455882), wk = 0.0027100 k( 274) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0027100 k( 275) = ( 0.3308823 0.5000000 0.3308823), wk = 0.0027100 k( 276) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0027100 k( 277) = ( 0.3161765 0.5000000 0.3161765), wk = 0.0027100 k( 278) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0027100 k( 279) = ( 0.3014706 0.5000000 0.3014706), wk = 0.0027100 k( 280) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0027100 k( 281) = ( 0.2867647 0.5000000 0.2867647), wk = 0.0027100 k( 282) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0027100 k( 283) = ( 0.2720588 0.5000000 0.2720588), wk = 0.0027100 k( 284) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0027100 k( 285) = ( 0.2573529 0.5000000 0.2573529), wk = 0.0027100 k( 286) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027100 k( 287) = ( 0.2426471 0.5000000 0.2426471), wk = 0.0027100 k( 288) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0027100 k( 289) = ( 0.2279412 0.5000000 0.2279412), wk = 0.0027100 k( 290) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0027100 k( 291) = ( 0.2132353 0.5000000 0.2132353), wk = 0.0027100 k( 292) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0027100 k( 293) = ( 0.1985294 0.5000000 0.1985294), wk = 0.0027100 k( 294) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0027100 k( 295) = ( 0.1838235 0.5000000 0.1838235), wk = 0.0027100 k( 296) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0027100 k( 297) = ( 0.1691177 0.5000000 0.1691177), wk = 0.0027100 k( 298) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0027100 k( 299) = ( 0.1544118 0.5000000 0.1544118), wk = 0.0027100 k( 300) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0027100 k( 301) = ( 0.1397059 0.5000000 0.1397059), wk = 0.0027100 k( 302) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0027100 k( 303) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0027100 k( 304) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0027100 k( 305) = ( 0.1102941 0.5000000 0.1102941), wk = 0.0027100 k( 306) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0027100 k( 307) = ( 0.0955882 0.5000000 0.0955882), wk = 0.0027100 k( 308) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0027100 k( 309) = ( 0.0808824 0.5000000 0.0808824), wk = 0.0027100 k( 310) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0027100 k( 311) = ( 0.0661765 0.5000000 0.0661765), wk = 0.0027100 k( 312) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0027100 k( 313) = ( 0.0514706 0.5000000 0.0514706), wk = 0.0027100 k( 314) = ( 0.0441177 0.5000000 0.0441177), wk = 0.0027100 k( 315) = ( 0.0367647 0.5000000 0.0367647), wk = 0.0027100 k( 316) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0027100 k( 317) = ( 0.0220588 0.5000000 0.0220588), wk = 0.0027100 k( 318) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0027100 k( 319) = ( 0.0073529 0.5000000 0.0073529), wk = 0.0027100 k( 320) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 321) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 322) = ( 0.5000000 0.5000000 0.0104167), wk = 0.0027100 k( 323) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0027100 k( 324) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0027100 k( 325) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0027100 k( 326) = ( 0.5000000 0.5000000 0.0520833), wk = 0.0027100 k( 327) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0027100 k( 328) = ( 0.5000000 0.5000000 0.0729167), wk = 0.0027100 k( 329) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027100 k( 330) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0027100 k( 331) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0027100 k( 332) = ( 0.5000000 0.5000000 0.1145833), wk = 0.0027100 k( 333) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027100 k( 334) = ( 0.5000000 0.5000000 0.1354167), wk = 0.0027100 k( 335) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0027100 k( 336) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0027100 k( 337) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027100 k( 338) = ( 0.5000000 0.5000000 0.1770833), wk = 0.0027100 k( 339) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0027100 k( 340) = ( 0.5000000 0.5000000 0.1979167), wk = 0.0027100 k( 341) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0027100 k( 342) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0027100 k( 343) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0027100 k( 344) = ( 0.5000000 0.5000000 0.2395833), wk = 0.0027100 k( 345) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027100 k( 346) = ( 0.5000000 0.5000000 0.2604167), wk = 0.0027100 k( 347) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0027100 k( 348) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0027100 k( 349) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0027100 k( 350) = ( 0.5000000 0.5000000 0.3020833), wk = 0.0027100 k( 351) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0027100 k( 352) = ( 0.5000000 0.5000000 0.3229167), wk = 0.0027100 k( 353) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027100 k( 354) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0027100 k( 355) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0027100 k( 356) = ( 0.5000000 0.5000000 0.3645833), wk = 0.0027100 k( 357) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027100 k( 358) = ( 0.5000000 0.5000000 0.3854167), wk = 0.0027100 k( 359) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0027100 k( 360) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0027100 k( 361) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027100 k( 362) = ( 0.5000000 0.5000000 0.4270833), wk = 0.0027100 k( 363) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0027100 k( 364) = ( 0.5000000 0.5000000 0.4479167), wk = 0.0027100 k( 365) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0027100 k( 366) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0027100 k( 367) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0027100 k( 368) = ( 0.5000000 0.5000000 0.4895833), wk = 0.0027100 k( 369) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 Dense grid: 23871 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 10779 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 78, 40) NL pseudopotentials 0.07 Mb ( 39, 110) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.01 Mb ( 664) G-vector shells 0.00 Mb ( 182) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 78, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.13 Mb ( 110, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CaSiO3.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.4 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.3 secs Computing kpt #: 19 total cpu time spent up to now is 11.8 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.6 secs Computing kpt #: 24 total cpu time spent up to now is 14.1 secs Computing kpt #: 25 total cpu time spent up to now is 14.3 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.2 secs Computing kpt #: 28 total cpu time spent up to now is 15.6 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.7 secs Computing kpt #: 33 total cpu time spent up to now is 18.2 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.9 secs Computing kpt #: 35 total cpu time spent up to now is 19.3 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.3 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.4 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 21.9 secs Computing kpt #: 42 total cpu time spent up to now is 22.2 secs Computing kpt #: 43 total cpu time spent up to now is 22.4 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.2 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.9 secs Computing kpt #: 46 total cpu time spent up to now is 24.2 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.9 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.9 secs Computing kpt #: 50 total cpu time spent up to now is 26.2 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.9 secs Computing kpt #: 52 total cpu time spent up to now is 27.3 secs Computing kpt #: 53 total cpu time spent up to now is 27.7 secs Computing kpt #: 54 total cpu time spent up to now is 28.1 secs Computing kpt #: 55 total cpu time spent up to now is 28.5 secs Computing kpt #: 56 total cpu time spent up to now is 28.8 secs Computing kpt #: 57 total cpu time spent up to now is 29.2 secs Computing kpt #: 58 total cpu time spent up to now is 29.5 secs Computing kpt #: 59 total cpu time spent up to now is 29.9 secs Computing kpt #: 60 total cpu time spent up to now is 30.2 secs Computing kpt #: 61 total cpu time spent up to now is 30.5 secs Computing kpt #: 62 total cpu time spent up to now is 30.9 secs Computing kpt #: 63 total cpu time spent up to now is 31.2 secs Computing kpt #: 64 total cpu time spent up to now is 31.6 secs Computing kpt #: 65 total cpu time spent up to now is 31.9 secs Computing kpt #: 66 total cpu time spent up to now is 32.3 secs Computing kpt #: 67 total cpu time spent up to now is 32.6 secs Computing kpt #: 68 total cpu time spent up to now is 33.0 secs Computing kpt #: 69 total cpu time spent up to now is 33.3 secs Computing kpt #: 70 total cpu time spent up to now is 33.6 secs Computing kpt #: 71 total cpu time spent up to now is 34.0 secs Computing kpt #: 72 total cpu time spent up to now is 34.3 secs Computing kpt #: 73 total cpu time spent up to now is 34.6 secs Computing kpt #: 74 total cpu time spent up to now is 35.0 secs Computing kpt #: 75 total cpu time spent up to now is 35.3 secs Computing kpt #: 76 total cpu time spent up to now is 35.7 secs Computing kpt #: 77 total cpu time spent up to now is 36.0 secs Computing kpt #: 78 total cpu time spent up to now is 36.3 secs Computing kpt #: 79 total cpu time spent up to now is 36.7 secs Computing kpt #: 80 total cpu time spent up to now is 37.0 secs Computing kpt #: 81 total cpu time spent up to now is 37.3 secs Computing kpt #: 82 total cpu time spent up to now is 37.7 secs Computing kpt #: 83 total cpu time spent up to now is 38.0 secs Computing kpt #: 84 total cpu time spent up to now is 38.4 secs Computing kpt #: 85 total cpu time spent up to now is 38.7 secs Computing kpt #: 86 total cpu time spent up to now is 39.1 secs Computing kpt #: 87 total cpu time spent up to now is 39.4 secs Computing kpt #: 88 total cpu time spent up to now is 39.8 secs Computing kpt #: 89 total cpu time spent up to now is 40.1 secs Computing kpt #: 90 total cpu time spent up to now is 40.5 secs Computing kpt #: 91 total cpu time spent up to now is 40.8 secs Computing kpt #: 92 total cpu time spent up to now is 41.2 secs Computing kpt #: 93 total cpu time spent up to now is 41.5 secs Computing kpt #: 94 total cpu time spent up to now is 41.9 secs Computing kpt #: 95 total cpu time spent up to now is 42.2 secs Computing kpt #: 96 total cpu time spent up to now is 42.6 secs Computing kpt #: 97 total cpu time spent up to now is 43.0 secs Computing kpt #: 98 total cpu time spent up to now is 43.4 secs Computing kpt #: 99 total cpu time spent up to now is 43.7 secs Computing kpt #: 100 total cpu time spent up to now is 44.1 secs Computing kpt #: 101 total cpu time spent up to now is 44.5 secs Computing kpt #: 102 total cpu time spent up to now is 44.9 secs Computing kpt #: 103 total cpu time spent up to now is 45.3 secs Computing kpt #: 104 total cpu time spent up to now is 45.8 secs Computing kpt #: 105 total cpu time spent up to now is 46.1 secs Computing kpt #: 106 total cpu time spent up to now is 46.5 secs Computing kpt #: 107 total cpu time spent up to now is 46.9 secs Computing kpt #: 108 total cpu time spent up to now is 47.4 secs Computing kpt #: 109 total cpu time spent up to now is 47.8 secs Computing kpt #: 110 total cpu time spent up to now is 48.1 secs Computing kpt #: 111 total cpu time spent up to now is 48.5 secs Computing kpt #: 112 total cpu time spent up to now is 48.9 secs Computing kpt #: 113 total cpu time spent up to now is 49.3 secs Computing kpt #: 114 total cpu time spent up to now is 49.7 secs Computing kpt #: 115 total cpu time spent up to now is 50.1 secs Computing kpt #: 116 total cpu time spent up to now is 50.5 secs Computing kpt #: 117 total cpu time spent up to now is 50.9 secs Computing kpt #: 118 total cpu time spent up to now is 51.3 secs Computing kpt #: 119 total cpu time spent up to now is 51.7 secs Computing kpt #: 120 total cpu time spent up to now is 52.1 secs Computing kpt #: 121 total cpu time spent up to now is 52.5 secs Computing kpt #: 122 total cpu time spent up to now is 52.9 secs Computing kpt #: 123 total cpu time spent up to now is 53.3 secs Computing kpt #: 124 total cpu time spent up to now is 53.6 secs Computing kpt #: 125 total cpu time spent up to now is 54.0 secs Computing kpt #: 126 total cpu time spent up to now is 54.4 secs Computing kpt #: 127 total cpu time spent up to now is 54.8 secs Computing kpt #: 128 total cpu time spent up to now is 55.1 secs Computing kpt #: 129 total cpu time spent up to now is 55.5 secs Computing kpt #: 130 total cpu time spent up to now is 55.9 secs Computing kpt #: 131 total cpu time spent up to now is 56.2 secs Computing kpt #: 132 total cpu time spent up to now is 56.6 secs Computing kpt #: 133 total cpu time spent up to now is 56.9 secs Computing kpt #: 134 total cpu time spent up to now is 57.2 secs Computing kpt #: 135 total cpu time spent up to now is 57.6 secs Computing kpt #: 136 total cpu time spent up to now is 57.9 secs Computing kpt #: 137 total cpu time spent up to now is 58.2 secs Computing kpt #: 138 total cpu time spent up to now is 58.6 secs Computing kpt #: 139 total cpu time spent up to now is 58.9 secs Computing kpt #: 140 total cpu time spent up to now is 59.2 secs Computing kpt #: 141 total cpu time spent up to now is 59.6 secs Computing kpt #: 142 total cpu time spent up to now is 59.9 secs Computing kpt #: 143 total cpu time spent up to now is 60.3 secs Computing kpt #: 144 total cpu time spent up to now is 60.6 secs Computing kpt #: 145 total cpu time spent up to now is 61.0 secs Computing kpt #: 146 total cpu time spent up to now is 61.3 secs Computing kpt #: 147 total cpu time spent up to now is 61.7 secs Computing kpt #: 148 total cpu time spent up to now is 62.0 secs Computing kpt #: 149 total cpu time spent up to now is 62.4 secs Computing kpt #: 150 total cpu time spent up to now is 62.7 secs Computing kpt #: 151 total cpu time spent up to now is 63.1 secs Computing kpt #: 152 total cpu time spent up to now is 63.5 secs Computing kpt #: 153 total cpu time spent up to now is 63.8 secs Computing kpt #: 154 total cpu time spent up to now is 64.2 secs Computing kpt #: 155 total cpu time spent up to now is 64.6 secs Computing kpt #: 156 total cpu time spent up to now is 65.0 secs Computing kpt #: 157 total cpu time spent up to now is 65.4 secs Computing kpt #: 158 total cpu time spent up to now is 65.7 secs Computing kpt #: 159 total cpu time spent up to now is 66.1 secs Computing kpt #: 160 total cpu time spent up to now is 66.5 secs Computing kpt #: 161 total cpu time spent up to now is 66.8 secs Computing kpt #: 162 total cpu time spent up to now is 67.2 secs Computing kpt #: 163 total cpu time spent up to now is 67.6 secs Computing kpt #: 164 total cpu time spent up to now is 67.9 secs Computing kpt #: 165 total cpu time spent up to now is 68.4 secs Computing kpt #: 166 total cpu time spent up to now is 68.7 secs Computing kpt #: 167 total cpu time spent up to now is 69.0 secs Computing kpt #: 168 total cpu time spent up to now is 69.2 secs Computing kpt #: 169 total cpu time spent up to now is 69.5 secs Computing kpt #: 170 total cpu time spent up to now is 69.9 secs Computing kpt #: 171 total cpu time spent up to now is 70.4 secs Computing kpt #: 172 total cpu time spent up to now is 71.0 secs Computing kpt #: 173 total cpu time spent up to now is 71.3 secs Computing kpt #: 174 total cpu time spent up to now is 71.7 secs Computing kpt #: 175 total cpu time spent up to now is 72.1 secs Computing kpt #: 176 total cpu time spent up to now is 72.5 secs Computing kpt #: 177 total cpu time spent up to now is 72.8 secs Computing kpt #: 178 total cpu time spent up to now is 73.2 secs Computing kpt #: 179 total cpu time spent up to now is 73.6 secs Computing kpt #: 180 total cpu time spent up to now is 74.1 secs Computing kpt #: 181 total cpu time spent up to now is 74.5 secs Computing kpt #: 182 total cpu time spent up to now is 74.9 secs Computing kpt #: 183 total cpu time spent up to now is 75.3 secs Computing kpt #: 184 total cpu time spent up to now is 75.7 secs Computing kpt #: 185 total cpu time spent up to now is 76.1 secs Computing kpt #: 186 total cpu time spent up to now is 76.5 secs Computing kpt #: 187 total cpu time spent up to now is 76.9 secs Computing kpt #: 188 total cpu time spent up to now is 77.4 secs Computing kpt #: 189 total cpu time spent up to now is 77.7 secs Computing kpt #: 190 total cpu time spent up to now is 78.0 secs Computing kpt #: 191 total cpu time spent up to now is 78.3 secs Computing kpt #: 192 total cpu time spent up to now is 78.6 secs Computing kpt #: 193 total cpu time spent up to now is 78.8 secs Computing kpt #: 194 total cpu time spent up to now is 79.1 secs Computing kpt #: 195 total cpu time spent up to now is 79.4 secs Computing kpt #: 196 total cpu time spent up to now is 79.8 secs Computing kpt #: 197 total cpu time spent up to now is 80.2 secs Computing kpt #: 198 total cpu time spent up to now is 80.5 secs Computing kpt #: 199 total cpu time spent up to now is 80.8 secs Computing kpt #: 200 total cpu time spent up to now is 81.1 secs Computing kpt #: 201 total cpu time spent up to now is 81.4 secs Computing kpt #: 202 total cpu time spent up to now is 81.6 secs Computing kpt #: 203 total cpu time spent up to now is 81.9 secs Computing kpt #: 204 total cpu time spent up to now is 82.2 secs Computing kpt #: 205 total cpu time spent up to now is 82.5 secs Computing kpt #: 206 total cpu time spent up to now is 82.8 secs Computing kpt #: 207 total cpu time spent up to now is 83.1 secs Computing kpt #: 208 total cpu time spent up to now is 83.6 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.3 secs Computing kpt #: 210 total cpu time spent up to now is 84.6 secs Computing kpt #: 211 total cpu time spent up to now is 85.0 secs Computing kpt #: 212 total cpu time spent up to now is 85.5 secs Computing kpt #: 213 total cpu time spent up to now is 85.8 secs Computing kpt #: 214 total cpu time spent up to now is 86.2 secs Computing kpt #: 215 total cpu time spent up to now is 86.6 secs Computing kpt #: 216 total cpu time spent up to now is 87.0 secs Computing kpt #: 217 total cpu time spent up to now is 87.4 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.2 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.0 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 221 total cpu time spent up to now is 90.1 secs Computing kpt #: 222 total cpu time spent up to now is 90.9 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.7 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.5 secs Computing kpt #: 225 total cpu time spent up to now is 92.9 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.6 secs Computing kpt #: 227 total cpu time spent up to now is 94.0 secs Computing kpt #: 228 total cpu time spent up to now is 94.4 secs Computing kpt #: 229 total cpu time spent up to now is 94.7 secs Computing kpt #: 230 total cpu time spent up to now is 95.1 secs Computing kpt #: 231 total cpu time spent up to now is 95.5 secs Computing kpt #: 232 total cpu time spent up to now is 95.9 secs Computing kpt #: 233 total cpu time spent up to now is 96.2 secs Computing kpt #: 234 total cpu time spent up to now is 96.7 secs Computing kpt #: 235 total cpu time spent up to now is 96.9 secs Computing kpt #: 236 total cpu time spent up to now is 97.2 secs Computing kpt #: 237 total cpu time spent up to now is 97.4 secs Computing kpt #: 238 total cpu time spent up to now is 97.7 secs Computing kpt #: 239 total cpu time spent up to now is 97.9 secs Computing kpt #: 240 total cpu time spent up to now is 98.1 secs Computing kpt #: 241 total cpu time spent up to now is 98.4 secs Computing kpt #: 242 total cpu time spent up to now is 98.6 secs Computing kpt #: 243 total cpu time spent up to now is 98.8 secs Computing kpt #: 244 total cpu time spent up to now is 99.0 secs Computing kpt #: 245 total cpu time spent up to now is 99.3 secs Computing kpt #: 246 total cpu time spent up to now is 99.6 secs Computing kpt #: 247 total cpu time spent up to now is 99.8 secs Computing kpt #: 248 total cpu time spent up to now is 100.0 secs Computing kpt #: 249 total cpu time spent up to now is 100.3 secs Computing kpt #: 250 total cpu time spent up to now is 100.5 secs Computing kpt #: 251 total cpu time spent up to now is 100.7 secs Computing kpt #: 252 total cpu time spent up to now is 100.9 secs Computing kpt #: 253 total cpu time spent up to now is 101.2 secs Computing kpt #: 254 total cpu time spent up to now is 101.4 secs Computing kpt #: 255 total cpu time spent up to now is 101.7 secs Computing kpt #: 256 total cpu time spent up to now is 102.0 secs Computing kpt #: 257 total cpu time spent up to now is 102.2 secs Computing kpt #: 258 total cpu time spent up to now is 102.4 secs Computing kpt #: 259 total cpu time spent up to now is 102.7 secs Computing kpt #: 260 total cpu time spent up to now is 102.9 secs Computing kpt #: 261 total cpu time spent up to now is 103.2 secs Computing kpt #: 262 total cpu time spent up to now is 103.6 secs Computing kpt #: 263 total cpu time spent up to now is 103.8 secs Computing kpt #: 264 total cpu time spent up to now is 104.2 secs Computing kpt #: 265 total cpu time spent up to now is 104.5 secs Computing kpt #: 266 total cpu time spent up to now is 105.0 secs Computing kpt #: 267 total cpu time spent up to now is 105.3 secs Computing kpt #: 268 total cpu time spent up to now is 105.6 secs Computing kpt #: 269 total cpu time spent up to now is 106.0 secs Computing kpt #: 270 total cpu time spent up to now is 106.3 secs Computing kpt #: 271 total cpu time spent up to now is 106.8 secs Computing kpt #: 272 total cpu time spent up to now is 107.1 secs Computing kpt #: 273 total cpu time spent up to now is 107.4 secs Computing kpt #: 274 total cpu time spent up to now is 107.8 secs Computing kpt #: 275 total cpu time spent up to now is 108.1 secs Computing kpt #: 276 total cpu time spent up to now is 108.4 secs Computing kpt #: 277 total cpu time spent up to now is 108.7 secs Computing kpt #: 278 total cpu time spent up to now is 109.1 secs Computing kpt #: 279 total cpu time spent up to now is 109.4 secs Computing kpt #: 280 total cpu time spent up to now is 109.7 secs Computing kpt #: 281 total cpu time spent up to now is 110.0 secs Computing kpt #: 282 total cpu time spent up to now is 110.4 secs Computing kpt #: 283 total cpu time spent up to now is 110.7 secs Computing kpt #: 284 total cpu time spent up to now is 111.0 secs Computing kpt #: 285 total cpu time spent up to now is 111.4 secs Computing kpt #: 286 total cpu time spent up to now is 111.7 secs Computing kpt #: 287 total cpu time spent up to now is 112.0 secs Computing kpt #: 288 total cpu time spent up to now is 112.3 secs Computing kpt #: 289 total cpu time spent up to now is 112.7 secs Computing kpt #: 290 total cpu time spent up to now is 113.0 secs Computing kpt #: 291 total cpu time spent up to now is 113.4 secs Computing kpt #: 292 total cpu time spent up to now is 113.7 secs Computing kpt #: 293 total cpu time spent up to now is 114.1 secs Computing kpt #: 294 total cpu time spent up to now is 114.5 secs Computing kpt #: 295 total cpu time spent up to now is 114.9 secs Computing kpt #: 296 total cpu time spent up to now is 115.2 secs Computing kpt #: 297 total cpu time spent up to now is 115.5 secs Computing kpt #: 298 total cpu time spent up to now is 115.9 secs Computing kpt #: 299 total cpu time spent up to now is 116.2 secs Computing kpt #: 300 total cpu time spent up to now is 116.6 secs Computing kpt #: 301 total cpu time spent up to now is 116.9 secs Computing kpt #: 302 total cpu time spent up to now is 117.3 secs Computing kpt #: 303 total cpu time spent up to now is 117.6 secs Computing kpt #: 304 total cpu time spent up to now is 118.0 secs Computing kpt #: 305 total cpu time spent up to now is 118.3 secs Computing kpt #: 306 total cpu time spent up to now is 118.7 secs Computing kpt #: 307 total cpu time spent up to now is 119.0 secs Computing kpt #: 308 total cpu time spent up to now is 119.4 secs Computing kpt #: 309 total cpu time spent up to now is 119.7 secs Computing kpt #: 310 total cpu time spent up to now is 120.1 secs Computing kpt #: 311 total cpu time spent up to now is 120.5 secs Computing kpt #: 312 total cpu time spent up to now is 120.8 secs Computing kpt #: 313 total cpu time spent up to now is 121.2 secs Computing kpt #: 314 total cpu time spent up to now is 121.7 secs Computing kpt #: 315 total cpu time spent up to now is 122.0 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.8 secs Computing kpt #: 317 total cpu time spent up to now is 123.3 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.0 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.8 secs Computing kpt #: 320 total cpu time spent up to now is 125.1 secs Computing kpt #: 321 total cpu time spent up to now is 125.4 secs Computing kpt #: 322 total cpu time spent up to now is 125.8 secs Computing kpt #: 323 total cpu time spent up to now is 126.2 secs Computing kpt #: 324 total cpu time spent up to now is 126.6 secs Computing kpt #: 325 total cpu time spent up to now is 127.0 secs Computing kpt #: 326 total cpu time spent up to now is 127.3 secs Computing kpt #: 327 total cpu time spent up to now is 127.7 secs Computing kpt #: 328 total cpu time spent up to now is 128.1 secs Computing kpt #: 329 total cpu time spent up to now is 128.4 secs Computing kpt #: 330 total cpu time spent up to now is 128.8 secs Computing kpt #: 331 total cpu time spent up to now is 129.2 secs Computing kpt #: 332 total cpu time spent up to now is 129.5 secs Computing kpt #: 333 total cpu time spent up to now is 129.8 secs Computing kpt #: 334 total cpu time spent up to now is 130.2 secs Computing kpt #: 335 total cpu time spent up to now is 130.5 secs Computing kpt #: 336 total cpu time spent up to now is 130.8 secs Computing kpt #: 337 total cpu time spent up to now is 131.1 secs Computing kpt #: 338 total cpu time spent up to now is 131.5 secs Computing kpt #: 339 total cpu time spent up to now is 131.7 secs Computing kpt #: 340 total cpu time spent up to now is 132.0 secs Computing kpt #: 341 total cpu time spent up to now is 132.2 secs Computing kpt #: 342 total cpu time spent up to now is 132.5 secs Computing kpt #: 343 total cpu time spent up to now is 132.8 secs Computing kpt #: 344 total cpu time spent up to now is 133.1 secs Computing kpt #: 345 total cpu time spent up to now is 133.4 secs Computing kpt #: 346 total cpu time spent up to now is 133.7 secs Computing kpt #: 347 total cpu time spent up to now is 134.0 secs Computing kpt #: 348 total cpu time spent up to now is 134.4 secs Computing kpt #: 349 total cpu time spent up to now is 134.7 secs Computing kpt #: 350 total cpu time spent up to now is 135.0 secs Computing kpt #: 351 total cpu time spent up to now is 135.2 secs Computing kpt #: 352 total cpu time spent up to now is 135.4 secs Computing kpt #: 353 total cpu time spent up to now is 135.7 secs Computing kpt #: 354 total cpu time spent up to now is 135.9 secs Computing kpt #: 355 total cpu time spent up to now is 136.1 secs Computing kpt #: 356 total cpu time spent up to now is 136.4 secs Computing kpt #: 357 total cpu time spent up to now is 136.6 secs Computing kpt #: 358 total cpu time spent up to now is 136.8 secs Computing kpt #: 359 total cpu time spent up to now is 137.4 secs Computing kpt #: 360 total cpu time spent up to now is 137.7 secs Computing kpt #: 361 total cpu time spent up to now is 137.9 secs Computing kpt #: 362 total cpu time spent up to now is 138.2 secs Computing kpt #: 363 total cpu time spent up to now is 138.4 secs Computing kpt #: 364 total cpu time spent up to now is 138.7 secs Computing kpt #: 365 total cpu time spent up to now is 138.9 secs Computing kpt #: 366 total cpu time spent up to now is 139.2 secs Computing kpt #: 367 total cpu time spent up to now is 139.4 secs Computing kpt #: 368 total cpu time spent up to now is 139.7 secs Computing kpt #: 369 total cpu time spent up to now is 139.9 secs ethr = 3.13E-08, avg # of iterations = 42.7 total cpu time spent up to now is 139.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1357 PWs) bands (ev): -23.0149 -23.0149 -7.5394 -7.5394 -4.3541 -4.3541 -3.9965 -3.9965 -3.9965 -3.9965 -2.7370 -2.7370 -2.7370 -2.7370 6.4552 6.4552 6.4903 6.4903 6.4903 6.4903 12.8718 12.8718 12.8718 12.8718 12.8890 12.8890 13.9063 13.9063 13.9624 13.9624 13.9624 13.9624 20.1606 20.1606 20.1606 20.1606 21.5039 21.5039 21.5039 21.5039 k = 0.0000 0.0104-0.0000 ( 1357 PWs) bands (ev): -23.0148 -23.0148 -7.5395 -7.5395 -4.3544 -4.3544 -3.9976 -3.9976 -3.9963 -3.9963 -2.7368 -2.7368 -2.7358 -2.7358 6.4556 6.4556 6.4904 6.4904 6.4910 6.4910 12.8697 12.8697 12.8701 12.8701 12.8871 12.8871 13.9046 13.9046 13.9602 13.9602 13.9613 13.9613 20.1628 20.1628 20.1641 20.1641 21.5055 21.5055 21.5075 21.5075 k = 0.0000 0.0208-0.0000 ( 1357 PWs) bands (ev): -23.0145 -23.0145 -7.5399 -7.5399 -4.3551 -4.3551 -4.0009 -4.0009 -3.9958 -3.9958 -2.7363 -2.7363 -2.7324 -2.7324 6.4569 6.4569 6.4908 6.4908 6.4931 6.4931 12.8634 12.8634 12.8652 12.8652 12.8816 12.8816 13.8995 13.8995 13.9537 13.9537 13.9578 13.9578 20.1692 20.1692 20.1743 20.1743 21.5091 21.5091 21.5183 21.5183 k = 0.0000 0.0312-0.0000 ( 1357 PWs) bands (ev): -23.0141 -23.0141 -7.5406 -7.5406 -4.3563 -4.3563 -4.0064 -4.0064 -3.9950 -3.9950 -2.7355 -2.7355 -2.7267 -2.7267 6.4589 6.4589 6.4915 6.4915 6.4968 6.4968 12.8528 12.8528 12.8571 12.8571 12.8727 12.8727 13.8904 13.8904 13.9433 13.9433 13.9520 13.9520 20.1799 20.1799 20.1913 20.1913 21.5137 21.5137 21.5362 21.5362 k = 0.0000 0.0417-0.0000 ( 1357 PWs) bands (ev): -23.0135 -23.0135 -7.5416 -7.5416 -4.3581 -4.3581 -4.0137 -4.0137 -3.9939 -3.9939 -2.7344 -2.7344 -2.7190 -2.7190 6.4613 6.4613 6.4925 6.4925 6.5022 6.5022 12.8378 12.8378 12.8458 12.8458 12.8607 12.8607 13.8769 13.8769 13.9298 13.9298 13.9440 13.9440 20.1948 20.1948 20.2149 20.2149 21.5197 21.5197 21.5612 21.5612 k = 0.0000 0.0521-0.0000 ( 1349 PWs) bands (ev): -23.0127 -23.0127 -7.5429 -7.5429 -4.3604 -4.3604 -4.0225 -4.0225 -3.9925 -3.9925 -2.7329 -2.7329 -2.7094 -2.7094 6.4641 6.4641 6.4937 6.4937 6.5097 6.5097 12.8184 12.8184 12.8315 12.8315 12.8457 12.8457 13.8579 13.8579 13.9143 13.9143 13.9338 13.9338 20.2140 20.2140 20.2450 20.2450 21.5271 21.5271 21.5931 21.5931 k = 0.0000 0.0625-0.0000 ( 1349 PWs) bands (ev): -23.0118 -23.0118 -7.5445 -7.5445 -4.3635 -4.3635 -4.0327 -4.0327 -3.9908 -3.9908 -2.7311 -2.7311 -2.6982 -2.6982 6.4671 6.4671 6.4953 6.4953 6.5193 6.5193 12.7948 12.7948 12.8141 12.8141 12.8279 12.8279 13.8329 13.8329 13.8975 13.8975 13.9215 13.9215 20.2373 20.2373 20.2814 20.2814 21.5360 21.5360 21.6317 21.6317 k = 0.0000 0.0729-0.0000 ( 1349 PWs) bands (ev): -23.0107 -23.0107 -7.5464 -7.5464 -4.3674 -4.3674 -4.0439 -4.0439 -3.9888 -3.9888 -2.7290 -2.7290 -2.6857 -2.6857 6.4701 6.4701 6.4970 6.4970 6.5310 6.5310 12.7671 12.7671 12.7939 12.7939 12.8073 12.8073 13.8016 13.8016 13.8798 13.8798 13.9071 13.9071 20.2647 20.2647 20.3238 20.3238 21.5464 21.5464 21.6768 21.6768 k = 0.0000 0.0833-0.0000 ( 1349 PWs) bands (ev): -23.0095 -23.0095 -7.5486 -7.5486 -4.3721 -4.3721 -4.0556 -4.0556 -3.9865 -3.9865 -2.7267 -2.7267 -2.6722 -2.6722 6.4732 6.4732 6.4990 6.4990 6.5451 6.5451 12.7356 12.7356 12.7711 12.7711 12.7843 12.7843 13.7645 13.7645 13.8612 13.8612 13.8908 13.8908 20.2962 20.2962 20.3719 20.3719 21.5583 21.5583 21.7281 21.7281 k = 0.0000 0.0938-0.0000 ( 1341 PWs) bands (ev): -23.0080 -23.0080 -7.5511 -7.5511 -4.3778 -4.3778 -4.0674 -4.0674 -3.9839 -3.9839 -2.7240 -2.7240 -2.6579 -2.6579 6.4764 6.4764 6.5013 6.5013 6.5613 6.5613 12.7006 12.7006 12.7456 12.7456 12.7588 12.7588 13.7219 13.7219 13.8414 13.8414 13.8726 13.8726 20.3316 20.3316 20.4256 20.4256 21.5718 21.5718 21.7857 21.7857 k = 0.0000 0.1042-0.0000 ( 1341 PWs) bands (ev): -23.0065 -23.0065 -7.5540 -7.5540 -4.3845 -4.3845 -4.0790 -4.0790 -3.9811 -3.9811 -2.7210 -2.7210 -2.6430 -2.6430 6.4797 6.4797 6.5037 6.5037 6.5799 6.5799 12.6625 12.6625 12.7179 12.7179 12.7310 12.7310 13.6742 13.6742 13.8204 13.8204 13.8526 13.8526 20.3710 20.3710 20.4843 20.4843 21.5867 21.5867 21.8488 21.8488 k = 0.0000 0.1146-0.0000 ( 1341 PWs) bands (ev): -23.0048 -23.0048 -7.5573 -7.5573 -4.3924 -4.3924 -4.0901 -4.0901 -3.9780 -3.9780 -2.7178 -2.7178 -2.6279 -2.6279 6.4832 6.4832 6.5064 6.5064 6.6006 6.6006 12.6214 12.6214 12.6879 12.6879 12.7011 12.7011 13.6218 13.6218 13.7981 13.7981 13.8310 13.8310 20.4142 20.4142 20.5478 20.5478 21.6031 21.6031 21.9174 21.9174 k = 0.0000 0.1250-0.0000 ( 1341 PWs) bands (ev): -23.0030 -23.0030 -7.5609 -7.5609 -4.4014 -4.4014 -4.1004 -4.1004 -3.9747 -3.9747 -2.7143 -2.7143 -2.6128 -2.6128 6.4867 6.4867 6.5093 6.5093 6.6236 6.6236 12.5777 12.5777 12.6560 12.6560 12.6693 12.6693 13.5650 13.5650 13.7745 13.7745 13.8079 13.8079 20.4610 20.4610 20.6157 20.6157 21.6209 21.6209 21.9911 21.9946 k = 0.0000 0.1354-0.0000 ( 1337 PWs) bands (ev): -23.0011 -23.0011 -7.5649 -7.5649 -4.4114 -4.4114 -4.1096 -4.1096 -3.9711 -3.9711 -2.7106 -2.7106 -2.5979 -2.5979 6.4904 6.4904 6.5123 6.5123 6.6488 6.6488 12.5317 12.5317 12.6223 12.6223 12.6359 12.6359 13.5041 13.5041 13.7496 13.7496 13.7833 13.7833 20.5116 20.5116 20.6877 20.6877 21.6401 21.6401 22.0696 22.0696 k = 0.0000 0.1458-0.0000 ( 1337 PWs) bands (ev): -22.9991 -22.9991 -7.5693 -7.5693 -4.4224 -4.4224 -4.1176 -4.1176 -3.9674 -3.9674 -2.7067 -2.7067 -2.5835 -2.5835 6.4942 6.4942 6.5155 6.5155 6.6763 6.6763 12.4837 12.4837 12.5871 12.5871 12.6009 12.6009 13.4394 13.4394 13.7236 13.7236 13.7575 13.7575 20.5656 20.5656 20.7633 20.7633 21.6606 21.6606 22.1525 22.1525 k = 0.0000 0.1562-0.0000 ( 1329 PWs) bands (ev): -22.9969 -22.9969 -7.5741 -7.5741 -4.4343 -4.4343 -4.1244 -4.1244 -3.9633 -3.9633 -2.7025 -2.7025 -2.5696 -2.5696 6.4982 6.4982 6.5189 6.5189 6.7060 6.7060 12.4339 12.4339 12.5506 12.5506 12.5647 12.5647 13.3710 13.3710 13.6965 13.6965 13.7304 13.7304 20.6230 20.6230 20.8421 20.8421 21.6824 21.6824 22.2396 22.2396 k = 0.0000 0.1667-0.0000 ( 1329 PWs) bands (ev): -22.9946 -22.9946 -7.5793 -7.5793 -4.4468 -4.4468 -4.1300 -4.1300 -3.9592 -3.9592 -2.6982 -2.6982 -2.5565 -2.5565 6.5023 6.5023 6.5223 6.5223 6.7379 6.7379 12.3827 12.3827 12.5130 12.5130 12.5274 12.5274 13.2993 13.2993 13.6685 13.6685 13.7024 13.7024 20.6837 20.6837 20.9239 20.9239 21.7054 21.7054 22.3303 22.3303 k = 0.0000 0.1771-0.0000 ( 1329 PWs) bands (ev): -22.9923 -22.9923 -7.5849 -7.5849 -4.4599 -4.4599 -4.1344 -4.1344 -3.9549 -3.9549 -2.6937 -2.6937 -2.5443 -2.5443 6.5065 6.5065 6.5259 6.5259 6.7720 6.7720 12.3304 12.3304 12.4745 12.4745 12.4893 12.4893 13.2245 13.2245 13.6395 13.6395 13.6733 13.6733 20.7474 20.7474 21.0082 21.0082 21.7296 21.7296 22.4244 22.4244 k = 0.0000 0.1875-0.0000 ( 1322 PWs) bands (ev): -22.9899 -22.9899 -7.5909 -7.5909 -4.4730 -4.4730 -4.1377 -4.1377 -3.9503 -3.9503 -2.6890 -2.6890 -2.5332 -2.5332 6.5108 6.5108 6.5296 6.5296 6.8084 6.8084 12.2772 12.2772 12.4353 12.4353 12.4505 12.4505 13.1468 13.1468 13.6099 13.6099 13.6435 13.6435 20.8142 20.8142 21.0946 21.0946 21.7550 21.7550 22.5216 22.5221 k = 0.0000 0.1979-0.0000 ( 1326 PWs) bands (ev): -22.9874 -22.9874 -7.5973 -7.5973 -4.4863 -4.4863 -4.1401 -4.1401 -3.9458 -3.9458 -2.6842 -2.6842 -2.5231 -2.5231 6.5151 6.5151 6.5333 6.5333 6.8469 6.8469 12.2235 12.2235 12.3957 12.3957 12.4114 12.4114 13.0665 13.0665 13.5795 13.5795 13.6129 13.6129 20.8837 20.8837 21.1827 21.1827 21.7813 21.7813 22.6211 22.6211 k = 0.0000 0.2083-0.0000 ( 1322 PWs) bands (ev): -22.9848 -22.9848 -7.6040 -7.6040 -4.4993 -4.4993 -4.1415 -4.1415 -3.9411 -3.9411 -2.6793 -2.6793 -2.5142 -2.5142 6.5195 6.5195 6.5371 6.5371 6.8876 6.8876 12.1693 12.1693 12.3559 12.3559 12.3721 12.3721 12.9840 12.9840 13.5487 13.5487 13.5818 13.5818 20.9560 20.9560 21.2721 21.2721 21.8087 21.8087 22.7229 22.7229 k = 0.0000 0.2188-0.0000 ( 1330 PWs) bands (ev): -22.9823 -22.9823 -7.6111 -7.6111 -4.5119 -4.5119 -4.1423 -4.1423 -3.9363 -3.9363 -2.6742 -2.6742 -2.5066 -2.5066 6.5239 6.5239 6.5409 6.5409 6.9304 6.9304 12.1150 12.1150 12.3160 12.3160 12.3327 12.3327 12.8993 12.8993 13.5174 13.5174 13.5503 13.5503 21.0306 21.0306 21.3625 21.3625 21.8369 21.8369 22.8265 22.8265 k = 0.0000 0.2292-0.0000 ( 1330 PWs) bands (ev): -22.9796 -22.9796 -7.6186 -7.6186 -4.5240 -4.5240 -4.1424 -4.1424 -3.9314 -3.9314 -2.6691 -2.6691 -2.5001 -2.5001 6.5284 6.5284 6.5447 6.5447 6.9753 6.9753 12.0609 12.0609 12.2763 12.2763 12.2936 12.2936 12.8127 12.8127 13.4859 13.4859 13.5184 13.5184 21.1075 21.1075 21.4535 21.4535 21.8660 21.8660 22.9315 22.9318 k = 0.0000 0.2396-0.0000 ( 1322 PWs) bands (ev): -22.9770 -22.9770 -7.6264 -7.6264 -4.5353 -4.5353 -4.1419 -4.1419 -3.9264 -3.9264 -2.6640 -2.6640 -2.4950 -2.4950 6.5329 6.5329 6.5486 6.5486 7.0221 7.0221 12.0072 12.0072 12.2369 12.2369 12.2548 12.2548 12.7246 12.7246 13.4542 13.4542 13.4864 13.4864 21.1865 21.1865 21.5448 21.5448 21.8960 21.8960 23.0376 23.0376 k = 0.0000 0.2500-0.0000 ( 1318 PWs) bands (ev): -22.9743 -22.9743 -7.6345 -7.6345 -4.5458 -4.5458 -4.1409 -4.1409 -3.9214 -3.9214 -2.6588 -2.6588 -2.4910 -2.4910 6.5373 6.5373 6.5523 6.5523 7.0709 7.0709 11.9540 11.9540 12.1980 12.1980 12.2166 12.2166 12.6351 12.6351 13.4225 13.4225 13.4542 13.4542 21.2673 21.2673 21.6359 21.6359 21.9264 21.9264 23.1445 23.1451 k = 0.0000 0.2604-0.0000 ( 1322 PWs) bands (ev): -22.9716 -22.9716 -7.6428 -7.6428 -4.5554 -4.5554 -4.1396 -4.1396 -3.9164 -3.9164 -2.6536 -2.6536 -2.4884 -2.4884 6.5417 6.5417 6.5561 6.5561 7.1215 7.1215 11.9016 11.9016 12.1597 12.1597 12.1790 12.1790 12.5446 12.5446 13.3908 13.3908 13.4221 13.4221 21.3495 21.3495 21.7265 21.7265 21.9574 21.9574 23.2513 23.2516 k = 0.0000 0.2708-0.0000 ( 1322 PWs) bands (ev): -22.9690 -22.9690 -7.6513 -7.6513 -4.5640 -4.5640 -4.1380 -4.1380 -3.9115 -3.9115 -2.6484 -2.6484 -2.4869 -2.4869 6.5461 6.5461 6.5598 6.5598 7.1737 7.1737 11.8501 11.8501 12.1223 12.1223 12.1423 12.1423 12.4532 12.4532 13.3593 13.3593 13.3902 13.3902 21.4332 21.4332 21.8162 21.8162 21.9887 21.9887 23.3581 23.3583 k = 0.0000 0.2812-0.0000 ( 1322 PWs) bands (ev): -22.9663 -22.9663 -7.6600 -7.6600 -4.5716 -4.5716 -4.1362 -4.1362 -3.9066 -3.9066 -2.6433 -2.6433 -2.4865 -2.4865 6.5503 6.5503 6.5634 6.5634 7.2275 7.2275 11.7998 11.7998 12.0859 12.0859 12.1066 12.1066 12.3614 12.3614 13.3282 13.3282 13.3586 13.3586 21.5179 21.5179 21.9046 21.9046 22.0205 22.0205 23.4642 23.4644 k = 0.0000 0.2917-0.0000 ( 1322 PWs) bands (ev): -22.9637 -22.9637 -7.6688 -7.6688 -4.5783 -4.5783 -4.1342 -4.1342 -3.9017 -3.9017 -2.6382 -2.6382 -2.4872 -2.4872 6.5545 6.5545 6.5669 6.5669 7.2827 7.2827 11.7508 11.7508 12.0505 12.0505 12.0719 12.0719 12.2693 12.2693 13.2974 13.2974 13.3274 13.3274 21.6034 21.6034 21.9913 21.9913 22.0526 22.0526 23.5694 23.5709 k = 0.0000 0.3021-0.0000 ( 1322 PWs) bands (ev): -22.9612 -22.9612 -7.6777 -7.6777 -4.5839 -4.5839 -4.1321 -4.1321 -3.8969 -3.8969 -2.6332 -2.6332 -2.4888 -2.4888 6.5586 6.5586 6.5703 6.5703 7.3392 7.3392 11.7032 11.7032 12.0162 12.0162 12.0385 12.0385 12.1772 12.1772 13.2673 13.2673 13.2968 13.2968 21.6893 21.6893 22.0728 22.0728 22.0880 22.0880 23.6732 23.6732 k = 0.0000 0.3125-0.0000 ( 1322 PWs) bands (ev): -22.9587 -22.9587 -7.6866 -7.6866 -4.5885 -4.5885 -4.1299 -4.1299 -3.8922 -3.8922 -2.6282 -2.6282 -2.4914 -2.4914 6.5625 6.5625 6.5736 6.5736 7.3966 7.3966 11.6572 11.6572 11.9833 11.9833 12.0065 12.0065 12.0856 12.0856 13.2378 13.2378 13.2668 13.2668 21.7752 21.7752 22.1140 22.1140 22.1614 22.1614 23.7752 23.7752 k = 0.0000 0.3229-0.0000 ( 1322 PWs) bands (ev): -22.9562 -22.9562 -7.6955 -7.6955 -4.5922 -4.5922 -4.1276 -4.1276 -3.8876 -3.8876 -2.6234 -2.6234 -2.4948 -2.4948 6.5663 6.5663 6.5768 6.5768 7.4548 7.4548 11.6130 11.6130 11.9513 11.9513 11.9758 11.9758 11.9950 11.9950 13.2091 13.2091 13.2376 13.2376 21.8607 21.8607 22.1459 22.1459 22.2414 22.2414 23.8749 23.8755 k = 0.0000 0.3333-0.0000 ( 1326 PWs) bands (ev): -22.9539 -22.9539 -7.7042 -7.7042 -4.5950 -4.5950 -4.1254 -4.1254 -3.8832 -3.8832 -2.6188 -2.6188 -2.4989 -2.4989 6.5699 6.5699 6.5798 6.5798 7.5136 7.5136 11.5706 11.5706 11.9020 11.9020 11.9242 11.9242 11.9466 11.9466 13.1812 13.1812 13.2093 13.2093 21.9454 21.9454 22.1769 22.1769 22.3190 22.3190 23.9719 23.9719 k = 0.0000 0.3438-0.0000 ( 1322 PWs) bands (ev): -22.9516 -22.9516 -7.7128 -7.7128 -4.5970 -4.5970 -4.1231 -4.1231 -3.8789 -3.8789 -2.6143 -2.6143 -2.5035 -2.5035 6.5734 6.5734 6.5826 6.5826 7.5726 7.5726 11.5303 11.5303 11.8147 11.8147 11.8944 11.8944 11.9190 11.9190 13.1545 13.1545 13.1820 13.1820 22.0291 22.0291 22.2072 22.2072 22.3937 22.3937 24.0660 24.0706 k = 0.0000 0.3542-0.0000 ( 1314 PWs) bands (ev): -22.9494 -22.9494 -7.7212 -7.7212 -4.5982 -4.5982 -4.1208 -4.1208 -3.8747 -3.8747 -2.6100 -2.6100 -2.5087 -2.5087 6.5767 6.5767 6.5853 6.5853 7.6316 7.6316 11.4920 11.4920 11.7279 11.7279 11.8674 11.8674 11.8930 11.8930 13.1288 13.1288 13.1558 13.1558 22.1111 22.1111 22.2370 22.2370 22.4650 22.4650 24.1565 24.1575 k = 0.0000 0.3646-0.0000 ( 1326 PWs) bands (ev): -22.9473 -22.9473 -7.7293 -7.7293 -4.5987 -4.5987 -4.1188 -4.1188 -3.8709 -3.8709 -2.6059 -2.6059 -2.5143 -2.5143 6.5798 6.5798 6.5879 6.5879 7.6901 7.6901 11.4560 11.4560 11.6432 11.6432 11.8423 11.8423 11.8687 11.8687 13.1044 13.1044 13.1309 13.1309 22.1909 22.1909 22.2654 22.2654 22.5326 22.5326 24.2429 24.2431 k = 0.0000 0.3750-0.0000 ( 1326 PWs) bands (ev): -22.9453 -22.9453 -7.7370 -7.7370 -4.5987 -4.5987 -4.1168 -4.1168 -3.8672 -3.8672 -2.6020 -2.6020 -2.5200 -2.5200 6.5827 6.5827 6.5902 6.5902 7.7477 7.7477 11.4222 11.4222 11.5611 11.5611 11.8189 11.8189 11.8461 11.8461 13.0813 13.0813 13.1074 13.1074 22.2680 22.2680 22.2928 22.2928 22.5964 22.5964 24.3250 24.3260 k = 0.0000 0.3854-0.0000 ( 1326 PWs) bands (ev): -22.9435 -22.9435 -7.7444 -7.7444 -4.5982 -4.5982 -4.1149 -4.1149 -3.8637 -3.8637 -2.5984 -2.5984 -2.5258 -2.5258 6.5854 6.5854 6.5924 6.5924 7.8041 7.8041 11.3908 11.3908 11.4821 11.4821 11.7973 11.7973 11.8252 11.8252 13.0596 13.0596 13.0853 13.0853 22.3189 22.3189 22.3420 22.3420 22.6561 22.6561 24.4025 24.4029 k = 0.0000 0.3958-0.0000 ( 1326 PWs) bands (ev): -22.9418 -22.9418 -7.7513 -7.7513 -4.5973 -4.5973 -4.1132 -4.1132 -3.8605 -3.8605 -2.5950 -2.5950 -2.5316 -2.5316 6.5878 6.5878 6.5944 6.5944 7.8586 7.8586 11.3619 11.3619 11.4067 11.4067 11.7775 11.7775 11.8061 11.8061 13.0395 13.0395 13.0647 13.0647 22.3434 22.3434 22.4121 22.4121 22.7114 22.7114 24.4748 24.4759 k = 0.0000 0.4062-0.0000 ( 1326 PWs) bands (ev): -22.9402 -22.9402 -7.7578 -7.7578 -4.5961 -4.5961 -4.1116 -4.1116 -3.8575 -3.8575 -2.5919 -2.5919 -2.5373 -2.5373 6.5901 6.5901 6.5962 6.5962 7.9108 7.9108 11.3356 11.3356 11.3356 11.3356 11.7596 11.7596 11.7888 11.7888 13.0210 13.0210 13.0458 13.0458 22.3663 22.3663 22.4779 22.4779 22.7621 22.7621 24.5415 24.5417 k = 0.0000 0.4167-0.0000 ( 1326 PWs) bands (ev): -22.9388 -22.9388 -7.7637 -7.7637 -4.5947 -4.5947 -4.1101 -4.1101 -3.8548 -3.8548 -2.5891 -2.5891 -2.5427 -2.5427 6.5921 6.5921 6.5978 6.5978 7.9601 7.9601 11.2694 11.2694 11.3118 11.3118 11.7435 11.7435 11.7733 11.7733 13.0042 13.0042 13.0287 13.0287 22.3874 22.3874 22.5388 22.5388 22.8081 22.8081 24.6024 24.6026 k = 0.0000 0.4271-0.0000 ( 1326 PWs) bands (ev): -22.9375 -22.9375 -7.7690 -7.7690 -4.5932 -4.5932 -4.1088 -4.1088 -3.8524 -3.8524 -2.5866 -2.5866 -2.5478 -2.5478 6.5939 6.5939 6.5993 6.5993 8.0058 8.0058 11.2086 11.2086 11.2907 11.2907 11.7293 11.7293 11.7596 11.7596 12.9892 12.9892 13.0133 13.0133 22.4064 22.4064 22.5941 22.5941 22.8491 22.8491 24.6570 24.6570 k = 0.0000 0.4375-0.0000 ( 1318 PWs) bands (ev): -22.9364 -22.9364 -7.7736 -7.7736 -4.5918 -4.5918 -4.1077 -4.1077 -3.8503 -3.8503 -2.5844 -2.5844 -2.5523 -2.5523 6.5955 6.5955 6.6005 6.6005 8.0472 8.0472 11.1541 11.1541 11.2724 11.2724 11.7170 11.7170 11.7477 11.7477 12.9760 12.9760 12.9999 12.9999 22.4232 22.4232 22.6435 22.6435 22.8851 22.8851 24.7052 24.7061 k = 0.0000 0.4479-0.0000 ( 1318 PWs) bands (ev): -22.9354 -22.9354 -7.7777 -7.7777 -4.5904 -4.5904 -4.1068 -4.1068 -3.8485 -3.8485 -2.5825 -2.5825 -2.5563 -2.5563 6.5968 6.5968 6.6016 6.6016 8.0838 8.0838 11.1065 11.1065 11.2568 11.2568 11.7065 11.7065 11.7377 11.7377 12.9647 12.9647 12.9883 12.9883 22.4377 22.4377 22.6866 22.6866 22.9158 22.9158 24.7463 24.7503 k = 0.0000 0.4583-0.0000 ( 1318 PWs) bands (ev): -22.9346 -22.9346 -7.7810 -7.7810 -4.5891 -4.5891 -4.1060 -4.1060 -3.8471 -3.8471 -2.5809 -2.5809 -2.5597 -2.5597 6.5979 6.5979 6.6024 6.6024 8.1148 8.1148 11.0664 11.0664 11.2439 11.2439 11.6980 11.6980 11.7295 11.7295 12.9554 12.9554 12.9788 12.9788 22.4497 22.4497 22.7223 22.7223 22.9410 22.9410 24.7804 24.7817 k = 0.0000 0.4688-0.0000 ( 1326 PWs) bands (ev): -22.9340 -22.9340 -7.7837 -7.7837 -4.5881 -4.5881 -4.1055 -4.1055 -3.8460 -3.8460 -2.5797 -2.5797 -2.5625 -2.5625 6.5988 6.5988 6.6031 6.6031 8.1397 8.1397 11.0344 11.0344 11.2339 11.2339 11.6913 11.6913 11.7231 11.7231 12.9481 12.9481 12.9713 12.9713 22.4591 22.4591 22.7505 22.7505 22.9606 22.9606 24.8070 24.8073 k = 0.0000 0.4792-0.0000 ( 1342 PWs) bands (ev): -22.9336 -22.9336 -7.7856 -7.7856 -4.5873 -4.5873 -4.1051 -4.1051 -3.8452 -3.8452 -2.5788 -2.5788 -2.5646 -2.5646 6.5994 6.5994 6.6036 6.6036 8.1578 8.1578 11.0112 11.0112 11.2267 11.2267 11.6866 11.6866 11.7185 11.7185 12.9429 12.9429 12.9659 12.9659 22.4660 22.4660 22.7708 22.7708 22.9747 22.9747 24.8260 24.8268 k = 0.0000 0.4896-0.0000 ( 1342 PWs) bands (ev): -22.9333 -22.9333 -7.7868 -7.7868 -4.5869 -4.5869 -4.1048 -4.1048 -3.8447 -3.8447 -2.5783 -2.5783 -2.5658 -2.5658 6.5997 6.5997 6.6039 6.6039 8.1689 8.1689 10.9970 10.9970 11.2224 11.2224 11.6837 11.6837 11.7157 11.7157 12.9397 12.9397 12.9627 12.9627 22.4701 22.4701 22.7831 22.7831 22.9832 22.9832 24.8375 24.8375 k = 0.0000 0.5000-0.0000 ( 1342 PWs) bands (ev): -22.9333 -22.9333 -7.7871 -7.7871 -4.5867 -4.5867 -4.1047 -4.1047 -3.8445 -3.8445 -2.5781 -2.5781 -2.5662 -2.5662 6.5998 6.5998 6.6039 6.6039 8.1726 8.1726 10.9923 10.9923 11.2210 11.2210 11.6828 11.6828 11.7148 11.7148 12.9387 12.9387 12.9617 12.9617 22.4715 22.4715 22.7873 22.7873 22.9860 22.9860 24.8414 24.8426 k = 0.0000 0.5000-0.0000 ( 1342 PWs) bands (ev): -22.9333 -22.9333 -7.7871 -7.7871 -4.5867 -4.5867 -4.1047 -4.1047 -3.8445 -3.8445 -2.5781 -2.5781 -2.5662 -2.5662 6.5998 6.5998 6.6039 6.6039 8.1726 8.1726 10.9923 10.9923 11.2210 11.2210 11.6828 11.6828 11.7148 11.7148 12.9387 12.9387 12.9617 12.9617 22.4715 22.4715 22.7873 22.7873 22.9860 22.9860 24.8414 24.8415 k = 0.0104 0.5000-0.0000 ( 1342 PWs) bands (ev): -22.9332 -22.9332 -7.7862 -7.7862 -4.5926 -4.5926 -4.1012 -4.1012 -3.8421 -3.8421 -2.5796 -2.5796 -2.5666 -2.5666 6.5980 6.5980 6.6036 6.6036 8.1774 8.1774 10.9825 10.9825 11.2107 11.2107 11.6895 11.6895 11.7279 11.7279 12.9373 12.9373 12.9603 12.9603 22.4739 22.4739 22.7888 22.7888 22.9862 22.9862 24.8395 24.8416 k = 0.0208 0.5000-0.0000 ( 1342 PWs) bands (ev): -22.9330 -22.9330 -7.7833 -7.7833 -4.6095 -4.6095 -4.0913 -4.0913 -3.8347 -3.8347 -2.5846 -2.5846 -2.5671 -2.5671 6.5898 6.5898 6.6055 6.6055 8.1915 8.1915 10.9509 10.9509 11.1893 11.1893 11.6913 11.6913 11.7780 11.7780 12.9327 12.9327 12.9568 12.9568 22.4812 22.4812 22.7936 22.7936 22.9866 22.9866 24.8317 24.8317 k = 0.0312 0.5000-0.0000 ( 1330 PWs) bands (ev): -22.9326 -22.9326 -7.7784 -7.7784 -4.6357 -4.6357 -4.0772 -4.0772 -3.8218 -3.8218 -2.5940 -2.5940 -2.5667 -2.5667 6.5756 6.5756 6.6094 6.6094 8.2146 8.2146 10.8957 10.8957 11.1719 11.1719 11.6869 11.6869 11.8534 11.8534 12.9241 12.9241 12.9521 12.9521 22.4933 22.4933 22.8014 22.8014 22.9874 22.9874 24.8175 24.8175 k = 0.0417 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.9321 -22.9321 -7.7717 -7.7717 -4.6691 -4.6691 -4.0613 -4.0613 -3.8034 -3.8034 -2.6078 -2.6078 -2.5656 -2.5656 6.5563 6.5563 6.6152 6.6152 8.2462 8.2462 10.8210 10.8210 11.1639 11.1639 11.6791 11.6791 11.9417 11.9417 12.9104 12.9104 12.9469 12.9469 22.5100 22.5100 22.8121 22.8121 22.9887 22.9887 24.7973 24.7973 k = 0.0521 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.9315 -22.9315 -7.7631 -7.7631 -4.7079 -4.7079 -4.0457 -4.0457 -3.7792 -3.7792 -2.6258 -2.6258 -2.5638 -2.5638 6.5324 6.5324 6.6225 6.6225 8.2857 8.2857 10.7336 10.7336 11.1637 11.1637 11.6689 11.6689 12.0368 12.0368 12.8917 12.8917 12.9416 12.9416 22.5315 22.5315 22.8255 22.8255 22.9907 22.9907 24.7716 24.7716 k = 0.0625 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.9307 -22.9307 -7.7525 -7.7525 -4.7506 -4.7506 -4.0317 -4.0317 -3.7494 -3.7494 -2.6478 -2.6478 -2.5615 -2.5615 6.5048 6.5048 6.6315 6.6315 8.3322 8.3322 10.6386 10.6386 11.1690 11.1690 11.6562 11.6562 12.1356 12.1356 12.8683 12.8683 12.9357 12.9357 22.5575 22.5575 22.8411 22.8411 22.9938 22.9938 24.7410 24.7410 k = 0.0729 0.5000-0.0000 ( 1326 PWs) bands (ev): -22.9299 -22.9299 -7.7400 -7.7400 -4.7959 -4.7959 -4.0195 -4.0195 -3.7147 -3.7147 -2.6738 -2.6738 -2.5587 -2.5587 6.4741 6.4741 6.6421 6.6421 8.3852 8.3852 10.5394 10.5394 11.1782 11.1782 11.6414 11.6414 12.2366 12.2366 12.8405 12.8405 12.9293 12.9293 22.5879 22.5879 22.8583 22.8583 22.9988 22.9988 24.7060 24.7060 k = 0.0833 0.5000-0.0000 ( 1326 PWs) bands (ev): -22.9289 -22.9289 -7.7257 -7.7257 -4.8432 -4.8432 -4.0093 -4.0093 -3.6760 -3.6760 -2.7035 -2.7035 -2.5555 -2.5555 6.4408 6.4408 6.6544 6.6544 8.4438 8.4438 10.4377 10.4377 11.1904 11.1904 11.6245 11.6245 12.3386 12.3386 12.8085 12.8085 12.9221 12.9221 22.6227 22.6227 22.8759 22.8759 23.0064 23.0064 24.6672 24.6672 k = 0.0938 0.5000-0.0000 ( 1334 PWs) bands (ev): -22.9277 -22.9277 -7.7095 -7.7095 -4.8918 -4.8918 -4.0007 -4.0007 -3.6342 -3.6342 -2.7369 -2.7369 -2.5519 -2.5519 6.4055 6.4055 6.6682 6.6682 8.5075 8.5075 10.3346 10.3346 11.2050 11.2050 11.6056 11.6056 12.4409 12.4409 12.7725 12.7725 12.9142 12.9142 22.6617 22.6617 22.8925 22.8925 23.0182 23.0182 24.6248 24.6248 k = 0.1042 0.5000-0.0000 ( 1334 PWs) bands (ev): -22.9265 -22.9265 -7.6914 -7.6914 -4.9412 -4.9412 -3.9933 -3.9933 -3.5901 -3.5901 -2.7738 -2.7738 -2.5479 -2.5479 6.3688 6.3688 6.6836 6.6836 8.5756 8.5756 10.2308 10.2308 11.2219 11.2219 11.5849 11.5849 12.5432 12.5432 12.7328 12.7328 12.9054 12.9054 22.7048 22.7048 22.9067 22.9067 23.0357 23.0357 24.5796 24.5796 k = 0.1146 0.5000-0.0000 ( 1330 PWs) bands (ev): -22.9251 -22.9251 -7.6714 -7.6714 -4.9911 -4.9911 -3.9869 -3.9869 -3.5443 -3.5443 -2.8141 -2.8141 -2.5435 -2.5435 6.3311 6.3311 6.7005 6.7005 8.6476 8.6476 10.1270 10.1270 11.2407 11.2407 11.5625 11.5625 12.6446 12.6446 12.6899 12.6899 12.8958 12.8958 22.7519 22.7519 22.9177 22.9177 23.0596 23.0596 24.5318 24.5318 k = 0.1250 0.5000-0.0000 ( 1334 PWs) bands (ev): -22.9237 -22.9237 -7.6495 -7.6495 -5.0412 -5.0412 -3.9812 -3.9812 -3.4975 -3.4975 -2.8576 -2.8576 -2.5387 -2.5387 6.2927 6.2927 6.7189 6.7189 8.7230 8.7230 10.0235 10.0235 11.2613 11.2613 11.5384 11.5384 12.6423 12.6423 12.7465 12.7465 12.8853 12.8853 22.8024 22.8024 22.9254 22.9254 23.0898 23.0898 24.4820 24.4820 k = 0.1354 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.9221 -22.9221 -7.6258 -7.6258 -5.0913 -5.0913 -3.9759 -3.9759 -3.4500 -3.4500 -2.9042 -2.9042 -2.5335 -2.5335 6.2539 6.2539 6.7388 6.7388 8.8013 8.8013 9.9205 9.9205 11.2835 11.2835 11.5128 11.5128 12.5925 12.5925 12.8465 12.8465 12.8741 12.8741 22.8564 22.8564 22.9308 22.9308 23.1253 23.1253 24.4306 24.4306 k = 0.1458 0.5000-0.0000 ( 1330 PWs) bands (ev): -22.9204 -22.9204 -7.6003 -7.6003 -5.1413 -5.1413 -3.9711 -3.9711 -3.4024 -3.4024 -2.9537 -2.9537 -2.5281 -2.5281 6.2150 6.2150 6.7602 6.7602 8.8822 8.8822 9.8183 9.8183 11.3071 11.3071 11.4860 11.4860 12.5395 12.5395 12.8620 12.8620 12.9455 12.9455 22.9127 22.9127 22.9355 22.9355 23.1653 23.1653 24.3778 24.3778 k = 0.1562 0.5000-0.0000 ( 1330 PWs) bands (ev): -22.9187 -22.9187 -7.5730 -7.5730 -5.1909 -5.1909 -3.9665 -3.9665 -3.3550 -3.3550 -3.0057 -3.0057 -2.5223 -2.5223 6.1762 6.1762 6.7830 6.7830 8.9653 8.9653 9.7172 9.7172 11.3320 11.3320 11.4579 11.4579 12.4838 12.4838 12.8490 12.8490 13.0433 13.0433 22.9357 22.9357 22.9755 22.9755 23.2091 23.2091 24.3240 24.3240 k = 0.1667 0.5000-0.0000 ( 1326 PWs) bands (ev): -22.9168 -22.9168 -7.5439 -7.5439 -5.2401 -5.2401 -3.9621 -3.9621 -3.3085 -3.3085 -3.0596 -3.0596 -2.5162 -2.5162 6.1377 6.1377 6.8071 6.8071 9.0503 9.0503 9.6172 9.6172 11.3582 11.3582 11.4289 11.4289 12.4255 12.4255 12.8352 12.8352 13.1396 13.1396 22.9381 22.9381 23.0383 23.0383 23.2563 23.2563 24.2696 24.2696 k = 0.1771 0.5000-0.0000 ( 1326 PWs) bands (ev): -22.9149 -22.9149 -7.5130 -7.5130 -5.2887 -5.2887 -3.9578 -3.9578 -3.2649 -3.2649 -3.1135 -3.1135 -2.5098 -2.5098 6.0996 6.0996 6.8327 6.8327 9.1369 9.1369 9.5186 9.5186 11.3845 11.3845 11.3999 11.3999 12.3649 12.3649 12.8206 12.8206 13.2342 13.2342 22.9398 22.9398 23.1039 23.1039 23.3063 23.3063 24.2148 24.2148 k = 0.1875 0.5000-0.0000 ( 1326 PWs) bands (ev): -22.9130 -22.9130 -7.4803 -7.4803 -5.3365 -5.3365 -3.9537 -3.9537 -3.2357 -3.2357 -3.1558 -3.1558 -2.5032 -2.5032 6.0620 6.0620 6.8595 6.8595 9.2247 9.2247 9.4216 9.4216 11.3675 11.3675 11.4143 11.4143 12.3021 12.3021 12.8052 12.8052 13.3272 13.3272 22.9414 22.9414 23.1720 23.1720 23.3588 23.3588 24.1598 24.1598 k = 0.1979 0.5000-0.0000 ( 1332 PWs) bands (ev): -22.9110 -22.9110 -7.4459 -7.4459 -5.3837 -5.3837 -3.9498 -3.9498 -3.2619 -3.2619 -3.1455 -3.1455 -2.4965 -2.4965 6.0251 6.0251 6.8875 6.8875 9.3115 9.3115 9.3282 9.3282 11.3363 11.3363 11.4432 11.4432 12.2375 12.2375 12.7889 12.7889 13.4183 13.4183 22.9429 22.9429 23.2420 23.2420 23.4133 23.4133 24.1050 24.1050 k = 0.2083 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.9089 -22.9089 -7.4098 -7.4098 -5.4299 -5.4299 -3.9459 -3.9459 -3.3195 -3.3195 -3.1064 -3.1064 -2.4894 -2.4894 5.9890 5.9890 6.9168 6.9168 9.2322 9.2322 9.4036 9.4036 11.3045 11.3045 11.4730 11.4730 12.1712 12.1712 12.7717 12.7717 13.5075 13.5075 22.9447 22.9447 23.3141 23.3141 23.4701 23.4701 24.0507 24.0507 k = 0.2188 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.9068 -22.9068 -7.3720 -7.3720 -5.4752 -5.4752 -3.9422 -3.9422 -3.3838 -3.3838 -3.0633 -3.0633 -2.4822 -2.4822 5.9536 5.9536 6.9471 6.9471 9.1405 9.1405 9.4938 9.4938 11.2723 11.2723 11.5034 11.5034 12.1035 12.1035 12.7538 12.7538 13.5946 13.5946 22.9467 22.9467 23.3874 23.3874 23.5287 23.5287 23.9968 23.9968 k = 0.2292 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.9046 -22.9046 -7.3326 -7.3326 -5.5194 -5.5194 -3.9388 -3.9388 -3.4509 -3.4509 -3.0198 -3.0198 -2.4749 -2.4749 5.9191 5.9191 6.9785 6.9785 9.0509 9.0509 9.5845 9.5845 11.2400 11.2400 11.5342 11.5342 12.0346 12.0346 12.7350 12.7350 13.6795 13.6795 22.9489 22.9489 23.4619 23.4619 23.5888 23.5888 23.9437 23.9437 k = 0.2396 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.9025 -22.9025 -7.2915 -7.2915 -5.5626 -5.5626 -3.9358 -3.9358 -3.5199 -3.5199 -2.9768 -2.9768 -2.4674 -2.4674 5.8855 5.8855 7.0109 7.0109 8.9634 8.9634 9.6753 9.6753 11.2076 11.2076 11.5653 11.5653 11.9648 11.9648 12.7153 12.7153 13.7621 13.7621 22.9515 22.9515 23.5373 23.5373 23.6501 23.6501 23.8913 23.8913 k = 0.2500 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.9003 -22.9003 -7.2489 -7.2489 -5.6046 -5.6046 -3.9332 -3.9332 -3.5901 -3.5901 -2.9346 -2.9346 -2.4597 -2.4597 5.8529 5.8529 7.0442 7.0442 8.8782 8.8782 9.7661 9.7661 11.1753 11.1753 11.5966 11.5966 11.8942 11.8942 12.6948 12.6948 13.8423 13.8423 22.9545 22.9545 23.6132 23.6132 23.7125 23.7125 23.8403 23.8403 k = 0.2604 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8982 -22.8982 -7.2047 -7.2047 -5.6453 -5.6453 -3.9317 -3.9317 -3.6609 -3.6609 -2.8934 -2.8934 -2.4520 -2.4520 5.8213 5.8213 7.0782 7.0782 8.7955 8.7955 9.8566 9.8566 11.1433 11.1433 11.6280 11.6280 11.8233 11.8233 12.6734 12.6734 13.9200 13.9200 22.9580 22.9580 23.6893 23.6893 23.7734 23.7734 23.7929 23.7929 k = 0.2708 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.8960 -22.8960 -7.1591 -7.1591 -5.6847 -5.6847 -3.9322 -3.9322 -3.7308 -3.7308 -2.8534 -2.8534 -2.4442 -2.4442 5.7907 5.7907 7.1130 7.1130 8.7152 8.7152 9.9468 9.9468 11.1116 11.1116 11.6592 11.6592 11.7522 11.7522 12.6511 12.6511 13.9951 13.9951 22.9619 22.9619 23.7402 23.7402 23.7663 23.7663 23.8408 23.8408 k = 0.2812 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8939 -22.8939 -7.1120 -7.1120 -5.7229 -5.7229 -3.9379 -3.9379 -3.7968 -3.7968 -2.8147 -2.8147 -2.4363 -2.4363 5.7613 5.7613 7.1484 7.1484 8.6376 8.6376 10.0363 10.0363 11.0804 11.0804 11.6797 11.6797 11.6915 11.6915 12.6279 12.6279 14.0676 14.0676 22.9662 22.9662 23.6936 23.6936 23.8416 23.8416 23.9048 23.9048 k = 0.2917 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8917 -22.8917 -7.0636 -7.0636 -5.7595 -5.7595 -3.9582 -3.9582 -3.8490 -3.8490 -2.7773 -2.7773 -2.4283 -2.4283 5.7330 5.7330 7.1842 7.1842 8.5628 8.5628 10.1250 10.1250 11.0498 11.0498 11.6100 11.6100 11.7212 11.7212 12.6039 12.6039 14.1372 14.1372 22.9711 22.9711 23.6481 23.6481 23.9167 23.9167 23.9692 23.9692 k = 0.3021 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8897 -22.8897 -7.0138 -7.0138 -5.7947 -5.7947 -4.0052 -4.0052 -3.8753 -3.8753 -2.7414 -2.7414 -2.4203 -2.4203 5.7058 5.7058 7.2203 7.2203 8.4908 8.4908 10.2128 10.2128 11.0200 11.0200 11.5398 11.5398 11.7513 11.7513 12.5789 12.5789 14.2040 14.2040 22.9765 22.9765 23.6042 23.6042 23.9908 23.9908 24.0336 24.0336 k = 0.3125 0.5000-0.0000 ( 1332 PWs) bands (ev): -22.8876 -22.8876 -6.9629 -6.9629 -5.8284 -5.8284 -4.0708 -4.0708 -3.8836 -3.8836 -2.7072 -2.7072 -2.4123 -2.4123 5.6798 5.6798 7.2567 7.2567 8.4217 8.4217 10.2994 10.2994 10.9910 10.9910 11.4704 11.4704 11.7808 11.7808 12.5530 12.5530 14.2678 14.2678 22.9823 22.9823 23.5620 23.5620 24.0635 24.0635 24.0977 24.0977 k = 0.3229 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8856 -22.8856 -6.9108 -6.9108 -5.8605 -5.8605 -4.1432 -4.1432 -3.8853 -3.8853 -2.6745 -2.6745 -2.4043 -2.4043 5.6550 5.6550 7.2930 7.2930 8.3558 8.3558 10.3848 10.3848 10.9630 10.9630 11.4021 11.4021 11.8096 11.8096 12.5263 12.5263 14.3286 14.3286 22.9884 22.9884 23.5217 23.5217 24.1347 24.1347 24.1612 24.1612 k = 0.3333 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8837 -22.8837 -6.8576 -6.8576 -5.8909 -5.8909 -4.2182 -4.2182 -3.8848 -3.8848 -2.6437 -2.6437 -2.3962 -2.3962 5.6315 5.6315 7.3292 7.3292 8.2930 8.2930 10.4686 10.4686 10.9360 10.9360 11.3352 11.3352 11.8376 11.8376 12.4986 12.4986 14.3863 14.3863 22.9950 22.9950 23.4834 23.4834 24.2036 24.2036 24.2240 24.2240 k = 0.3438 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8819 -22.8819 -6.8036 -6.8036 -5.9197 -5.9197 -4.2942 -4.2942 -3.8832 -3.8832 -2.6147 -2.6147 -2.3880 -2.3880 5.6092 5.6092 7.3651 7.3651 8.2335 8.2335 10.5508 10.5508 10.9102 10.9102 11.2700 11.2700 11.8645 11.8645 12.4701 12.4701 14.4408 14.4408 23.0018 23.0018 23.4470 23.4470 24.2699 24.2699 24.2858 24.2858 k = 0.3542 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.8801 -22.8801 -6.7488 -6.7488 -5.9468 -5.9468 -4.3705 -4.3705 -3.8813 -3.8813 -2.5877 -2.5877 -2.3798 -2.3798 5.5883 5.5883 7.4005 7.4005 8.1773 8.1773 10.6311 10.6311 10.8857 10.8857 11.2068 11.2068 11.8903 11.8903 12.4409 12.4409 14.4921 14.4921 23.0088 23.0088 23.4128 23.4128 24.3332 24.3332 24.3465 24.3465 k = 0.3646 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.8784 -22.8784 -6.6934 -6.6934 -5.9721 -5.9721 -4.4465 -4.4465 -3.8791 -3.8791 -2.5627 -2.5627 -2.3716 -2.3716 5.5686 5.5686 7.4350 7.4350 8.1246 8.1246 10.7093 10.7093 10.8625 10.8625 11.1459 11.1459 11.9149 11.9149 12.4107 12.4107 14.5401 14.5401 23.0160 23.0160 23.3806 23.3806 24.3931 24.3931 24.4057 24.4057 k = 0.3750 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.8768 -22.8768 -6.6378 -6.6378 -5.9955 -5.9955 -4.5218 -4.5218 -3.8769 -3.8769 -2.5399 -2.5399 -2.3633 -2.3633 5.5503 5.5503 7.4686 7.4686 8.0754 8.0754 10.7850 10.7850 10.8409 10.8409 11.0877 11.0877 11.9381 11.9381 12.3799 12.3799 14.5847 14.5847 23.0232 23.0232 23.3506 23.3506 24.4498 24.4498 24.4629 24.4629 k = 0.3854 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.8753 -22.8753 -6.5820 -6.5820 -6.0171 -6.0171 -4.5962 -4.5962 -3.8747 -3.8747 -2.5192 -2.5192 -2.3551 -2.3551 5.5334 5.5334 7.5010 7.5010 8.0298 8.0298 10.8193 10.8193 10.8597 10.8597 11.0324 11.0324 11.9599 11.9599 12.3485 12.3485 14.6260 14.6260 23.0303 23.0303 23.3228 23.3228 24.5032 24.5032 24.5172 24.5172 k = 0.3958 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.8739 -22.8739 -6.5266 -6.5266 -6.0367 -6.0367 -4.6690 -4.6690 -3.8726 -3.8726 -2.5008 -2.5008 -2.3468 -2.3468 5.5179 5.5179 7.5318 7.5318 7.9879 7.9879 10.8010 10.8010 10.9296 10.9296 10.9807 10.9807 11.9801 11.9801 12.3166 12.3166 14.6637 14.6637 23.0373 23.0373 23.2974 23.2974 24.5533 24.5533 24.5681 24.5681 k = 0.4062 0.5000-0.0000 ( 1324 PWs) bands (ev): -22.8726 -22.8726 -6.4720 -6.4720 -6.0542 -6.0542 -4.7399 -4.7399 -3.8706 -3.8706 -2.4847 -2.4847 -2.3386 -2.3386 5.5038 5.5038 7.5609 7.5609 7.9498 7.9498 10.7838 10.7838 10.9313 10.9313 10.9982 10.9982 11.9987 11.9987 12.2845 12.2845 14.6980 14.6980 23.0441 23.0441 23.2742 23.2742 24.5999 24.5999 24.6153 24.6153 k = 0.4167 0.5000-0.0000 ( 1328 PWs) bands (ev): -22.8715 -22.8715 -6.4187 -6.4187 -6.0696 -6.0696 -4.8082 -4.8082 -3.8689 -3.8689 -2.4706 -2.4706 -2.3307 -2.3307 5.4911 5.4911 7.5879 7.5879 7.9155 7.9155 10.7683 10.7683 10.8870 10.8870 11.0620 11.0620 12.0155 12.0155 12.2525 12.2525 14.7287 14.7287 23.0505 23.0505 23.2534 23.2534 24.6426 24.6426 24.6583 24.6583 k = 0.4271 0.5000-0.0000 ( 1332 PWs) bands (ev): -22.8705 -22.8705 -6.3677 -6.3677 -6.0826 -6.0826 -4.8734 -4.8734 -3.8672 -3.8672 -2.4587 -2.4587 -2.3231 -2.3231 5.4798 5.4798 7.6125 7.6125 7.8851 7.8851 10.7544 10.7544 10.8468 10.8468 11.1220 11.1220 12.0306 12.0306 12.2209 12.2209 14.7559 14.7559 23.0564 23.0564 23.2350 23.2350 24.6812 24.6812 24.6968 24.6968 k = 0.4375 0.5000-0.0000 ( 1332 PWs) bands (ev): -22.8696 -22.8696 -6.3201 -6.3201 -6.0928 -6.0928 -4.9343 -4.9343 -3.8658 -3.8658 -2.4488 -2.4488 -2.3160 -2.3160 5.4700 5.4700 7.6346 7.6346 7.8587 7.8587 10.7423 10.7423 10.8112 10.8112 11.1774 11.1774 12.0438 12.0438 12.1904 12.1904 14.7796 14.7796 23.0617 23.0617 23.2189 23.2189 24.7154 24.7154 24.7307 24.7307 k = 0.4479 0.5000-0.0000 ( 1332 PWs) bands (ev): -22.8688 -22.8688 -6.2774 -6.2774 -6.0998 -6.0998 -4.9901 -4.9901 -3.8645 -3.8645 -2.4406 -2.4406 -2.3097 -2.3097 5.4617 5.4617 7.6538 7.6538 7.8362 7.8362 10.7321 10.7321 10.7805 10.7805 11.2274 11.2274 12.0551 12.0551 12.1616 12.1616 14.7996 14.7996 23.0665 23.0665 23.2053 23.2053 24.7449 24.7449 24.7596 24.7596 k = 0.4583 0.5000-0.0000 ( 1332 PWs) bands (ev): -22.8682 -22.8682 -6.2417 -6.2417 -6.1027 -6.1027 -5.0393 -5.0393 -3.8635 -3.8635 -2.4341 -2.4341 -2.3042 -2.3042 5.4549 5.4549 7.6699 7.6699 7.8177 7.8177 10.7236 10.7236 10.7549 10.7549 11.2709 11.2709 12.0644 12.0644 12.1355 12.1355 14.8160 14.8160 23.0704 23.0704 23.1942 23.1942 24.7694 24.7694 24.7833 24.7833 k = 0.4688 0.5000-0.0000 ( 1332 PWs) bands (ev): -22.8677 -22.8677 -6.2152 -6.2152 -6.1011 -6.1011 -5.0803 -5.0803 -3.8627 -3.8627 -2.4292 -2.4292 -2.2998 -2.2998 5.4496 5.4496 7.6827 7.6827 7.8034 7.8034 10.7170 10.7170 10.7347 10.7347 11.3069 11.3069 12.0717 12.0717 12.1132 12.1132 14.8288 14.8288 23.0736 23.0736 23.1855 23.1855 24.7887 24.7887 24.8012 24.8012 k = 0.4792 0.5000-0.0000 ( 1340 PWs) bands (ev): -22.8673 -22.8673 -6.1988 -6.1988 -6.0956 -6.0956 -5.1114 -5.1114 -3.8621 -3.8621 -2.4259 -2.4259 -2.2966 -2.2966 5.4458 5.4458 7.6919 7.6919 7.7931 7.7931 10.7122 10.7122 10.7202 10.7202 11.3339 11.3339 12.0769 12.0769 12.0959 12.0959 14.8378 14.8378 23.0758 23.0758 23.1793 23.1793 24.8023 24.8023 24.8125 24.8125 k = 0.4896 0.5000-0.0000 ( 1340 PWs) bands (ev): -22.8671 -22.8671 -6.1907 -6.1907 -6.0898 -6.0898 -5.1309 -5.1309 -3.8618 -3.8618 -2.4238 -2.4238 -2.2946 -2.2946 5.4435 5.4435 7.6975 7.6975 7.7869 7.7869 10.7093 10.7093 10.7114 10.7114 11.3508 11.3508 12.0800 12.0800 12.0849 12.0849 14.8433 14.8433 23.0772 23.0772 23.1756 23.1756 24.8104 24.8104 24.8176 24.8176 k = 0.5000 0.5000-0.0000 ( 1356 PWs) bands (ev): -22.8671 -22.8671 -6.1884 -6.1884 -6.0874 -6.0874 -5.1376 -5.1376 -3.8617 -3.8617 -2.4233 -2.4233 -2.2940 -2.2940 5.4428 5.4428 7.6993 7.6993 7.7848 7.7848 10.7082 10.7082 10.7086 10.7086 11.3565 11.3565 12.0806 12.0806 12.0815 12.0815 14.8451 14.8451 23.0776 23.0776 23.1742 23.1742 24.8127 24.8127 24.8188 24.8188 k = 0.5000 0.5000-0.0000 ( 1356 PWs) bands (ev): -22.8671 -22.8671 -6.1884 -6.1884 -6.0874 -6.0874 -5.1376 -5.1376 -3.8617 -3.8617 -2.4233 -2.4233 -2.2940 -2.2940 5.4428 5.4428 7.6993 7.6993 7.7848 7.7848 10.7082 10.7082 10.7086 10.7086 11.3565 11.3565 12.0806 12.0806 12.0815 12.0815 14.8451 14.8451 23.0776 23.0776 23.1742 23.1742 24.8127 24.8127 24.8188 24.8188 k = 0.4926 0.4926-0.0000 ( 1332 PWs) bands (ev): -22.8671 -22.8671 -6.1906 -6.1906 -6.0898 -6.0898 -5.1310 -5.1310 -3.8618 -3.8618 -2.4238 -2.4238 -2.2946 -2.2946 5.4435 5.4435 7.6975 7.6975 7.7869 7.7869 10.7093 10.7093 10.7115 10.7115 11.3508 11.3508 12.0798 12.0798 12.0851 12.0851 14.8434 14.8434 23.0773 23.0773 23.1756 23.1756 24.8106 24.8106 24.8177 24.8177 k = 0.4853 0.4853-0.0000 ( 1332 PWs) bands (ev): -22.8673 -22.8673 -6.1985 -6.1985 -6.0958 -6.0958 -5.1115 -5.1115 -3.8621 -3.8621 -2.4258 -2.4258 -2.2965 -2.2965 5.4458 5.4458 7.6919 7.6919 7.7931 7.7931 10.7119 10.7119 10.7204 10.7204 11.3340 11.3340 12.0761 12.0761 12.0966 12.0966 14.8379 14.8379 23.0753 23.0753 23.1798 23.1798 24.8030 24.8030 24.8136 24.8137 k = 0.4779 0.4779-0.0000 ( 1332 PWs) bands (ev): -22.8677 -22.8677 -6.2141 -6.2141 -6.1021 -6.1021 -5.0805 -5.0805 -3.8627 -3.8627 -2.4294 -2.4294 -2.2996 -2.2996 5.4495 5.4495 7.6827 7.6827 7.8033 7.8033 10.7163 10.7163 10.7353 10.7353 11.3071 11.3071 12.0700 12.0700 12.1147 12.1147 14.8289 14.8289 23.0709 23.0709 23.1880 23.1880 24.7898 24.7898 24.8068 24.8068 k = 0.4706 0.4706-0.0000 ( 1332 PWs) bands (ev): -22.8682 -22.8682 -6.2390 -6.2390 -6.1054 -6.1054 -5.0395 -5.0395 -3.8635 -3.8635 -2.4346 -2.4346 -2.3036 -2.3036 5.4546 5.4546 7.6700 7.6700 7.8178 7.8178 10.7224 10.7224 10.7558 10.7558 11.2713 11.2713 12.0616 12.0616 12.1382 12.1382 14.8164 14.8164 23.0631 23.0631 23.2009 23.2009 24.7709 24.7709 24.7974 24.7976 k = 0.4632 0.4632-0.0000 ( 1332 PWs) bands (ev): -22.8688 -22.8688 -6.2725 -6.2725 -6.1047 -6.1047 -4.9903 -4.9903 -3.8645 -3.8645 -2.4417 -2.4417 -2.3083 -2.3083 5.4611 5.4611 7.6540 7.6540 7.8364 7.8364 10.7303 10.7303 10.7819 10.7819 11.2280 11.2280 12.0510 12.0510 12.1657 12.1657 14.8006 14.8006 23.0512 23.0512 23.2190 23.2190 24.7463 24.7464 24.7849 24.7852 k = 0.4559 0.4559-0.0000 ( 1332 PWs) bands (ev): -22.8696 -22.8696 -6.3127 -6.3127 -6.1005 -6.1005 -4.9344 -4.9344 -3.8658 -3.8658 -2.4509 -2.4509 -2.3134 -2.3134 5.4688 5.4688 7.6350 7.6350 7.8592 7.8592 10.7399 10.7399 10.8133 10.8133 11.1784 11.1784 12.0383 12.0383 12.1960 12.1960 14.7816 14.7816 23.0354 23.0354 23.2422 23.2422 24.7162 24.7162 24.7697 24.7697 k = 0.4485 0.4485-0.0000 ( 1332 PWs) bands (ev): -22.8705 -22.8705 -6.3575 -6.3575 -6.0935 -6.0935 -4.8732 -4.8732 -3.8673 -3.8673 -2.4626 -2.4626 -2.3185 -2.3185 5.4775 5.4775 7.6131 7.6131 7.8862 7.8862 10.7512 10.7512 10.8497 10.8497 11.1233 11.1233 12.0239 12.0239 12.2283 12.2283 14.7596 14.7596 23.0157 23.0157 23.2700 23.2700 24.6807 24.6807 24.7518 24.7522 k = 0.4412 0.4412-0.0000 ( 1332 PWs) bands (ev): -22.8716 -22.8716 -6.4053 -6.4053 -6.0841 -6.0841 -4.8079 -4.8079 -3.8690 -3.8690 -2.4768 -2.4768 -2.3233 -2.3233 5.4873 5.4873 7.5886 7.5886 7.9174 7.9174 10.7643 10.7643 10.8907 10.8907 11.0636 11.0636 12.0079 12.0079 12.2616 12.2616 14.7348 14.7348 22.9924 22.9924 23.3019 23.3019 24.6401 24.6401 24.7311 24.7311 k = 0.4338 0.4338-0.0000 ( 1324 PWs) bands (ev): -22.8727 -22.8727 -6.4551 -6.4551 -6.0727 -6.0727 -4.7393 -4.7393 -3.8709 -3.8709 -2.4936 -2.4936 -2.3278 -2.3278 5.4978 5.4978 7.5619 7.5619 7.9529 7.9529 10.7790 10.7790 10.9360 10.9360 11.0000 11.0000 11.9906 11.9906 12.2955 12.2955 14.7076 14.7076 22.9658 22.9658 23.3373 23.3373 24.5946 24.5946 24.7076 24.7076 k = 0.4265 0.4265-0.0000 ( 1324 PWs) bands (ev): -22.8741 -22.8741 -6.5060 -6.5060 -6.0595 -6.0595 -4.6682 -4.6682 -3.8730 -3.8730 -2.5131 -2.5131 -2.3318 -2.3318 5.5091 5.5091 7.5331 7.5331 7.9927 7.9927 10.7953 10.7953 10.9319 10.9319 10.9861 10.9861 11.9721 11.9721 12.3295 12.3295 14.6779 14.6779 22.9360 22.9360 23.3758 23.3758 24.5442 24.5442 24.6814 24.6814 k = 0.4191 0.4191-0.0000 ( 1324 PWs) bands (ev): -22.8755 -22.8755 -6.5573 -6.5573 -6.0446 -6.0446 -4.5952 -4.5952 -3.8752 -3.8752 -2.5352 -2.5352 -2.3353 -2.3353 5.5209 5.5209 7.5027 7.5027 8.0368 8.0368 10.8129 10.8129 10.8618 10.8618 11.0391 11.0391 11.9530 11.9530 12.3633 12.3633 14.6463 14.6463 22.9034 22.9034 23.4167 23.4167 24.4892 24.4892 24.6524 24.6524 k = 0.4118 0.4118-0.0000 ( 1328 PWs) bands (ev): -22.8771 -22.8771 -6.6087 -6.6087 -6.0282 -6.0282 -4.5208 -4.5208 -3.8777 -3.8777 -2.5597 -2.5597 -2.3384 -2.3384 5.5331 5.5331 7.4709 7.4709 8.0852 8.0852 10.7863 10.7863 10.8344 10.8344 11.0956 11.0956 11.9333 11.9333 12.3965 12.3965 14.6130 14.6130 22.8681 22.8681 23.4595 23.4595 24.4298 24.4298 24.6206 24.6206 k = 0.4044 0.4044-0.0000 ( 1328 PWs) bands (ev): -22.8789 -22.8789 -6.6596 -6.6596 -6.0102 -6.0102 -4.4454 -4.4454 -3.8802 -3.8802 -2.5864 -2.5864 -2.3411 -2.3411 5.5455 5.5455 7.4378 7.4378 8.1379 8.1379 10.7101 10.7101 10.8553 10.8553 11.1552 11.1552 11.9135 11.9135 12.4291 12.4291 14.5782 14.5782 22.8302 22.8302 23.5035 23.5035 24.3662 24.3662 24.5862 24.5862 k = 0.3971 0.3971-0.0000 ( 1320 PWs) bands (ev): -22.8807 -22.8807 -6.7099 -6.7099 -5.9907 -5.9907 -4.3695 -4.3695 -3.8828 -3.8828 -2.6151 -2.6151 -2.3434 -2.3434 5.5581 5.5581 7.4039 7.4039 8.1948 8.1948 10.6309 10.6309 10.8782 10.8782 11.2176 11.2176 11.8940 11.8940 12.4608 12.4608 14.5424 14.5424 22.7900 22.7900 23.5483 23.5483 24.2987 24.2987 24.5493 24.5493 k = 0.3897 0.3897-0.0000 ( 1320 PWs) bands (ev): -22.8826 -22.8826 -6.7594 -6.7594 -5.9698 -5.9698 -4.2935 -4.2935 -3.8853 -3.8853 -2.6457 -2.6457 -2.3456 -2.3456 5.5706 5.5706 7.3693 7.3693 8.2560 8.2560 10.5490 10.5490 10.9028 10.9028 11.2824 11.2824 11.8748 11.8748 12.4915 12.4915 14.5056 14.5056 22.7475 22.7475 23.5932 23.5932 24.2273 24.2273 24.5096 24.5096 k = 0.3824 0.3824-0.0000 ( 1320 PWs) bands (ev): -22.8847 -22.8847 -6.8078 -6.8078 -5.9475 -5.9475 -4.2178 -4.2178 -3.8876 -3.8876 -2.6779 -2.6779 -2.3475 -2.3475 5.5831 5.5831 7.3342 7.3342 8.3214 8.3214 10.4648 10.4648 10.9291 10.9291 11.3494 11.3494 11.8565 11.8565 12.5210 12.5210 14.4683 14.4683 22.7030 22.7030 23.6376 23.6376 24.1522 24.1522 24.4673 24.4675 k = 0.3750 0.3750-0.0000 ( 1314 PWs) bands (ev): -22.8869 -22.8869 -6.8549 -6.8549 -5.9238 -5.9238 -4.1431 -4.1431 -3.8891 -3.8891 -2.7116 -2.7116 -2.3494 -2.3494 5.5954 5.5954 7.2989 7.2989 8.3909 8.3909 10.3783 10.3783 10.9568 10.9568 11.4183 11.4183 11.8394 11.8394 12.5494 12.5494 14.4308 14.4308 22.6566 22.6566 23.6807 23.6807 24.0739 24.0739 24.4225 24.4225 k = 0.3676 0.3676-0.0000 ( 1322 PWs) bands (ev): -22.8892 -22.8892 -6.9008 -6.9008 -5.8987 -5.8987 -4.0710 -4.0710 -3.8890 -3.8890 -2.7466 -2.7466 -2.3512 -2.3512 5.6075 5.6075 7.2634 7.2634 8.4644 8.4644 10.2896 10.2896 10.9861 10.9861 11.4888 11.4888 11.8237 11.8237 12.5765 12.5765 14.3933 14.3933 22.6084 22.6084 23.7219 23.7219 23.9923 23.9923 24.3750 24.3750 k = 0.3603 0.3603-0.0000 ( 1322 PWs) bands (ev): -22.8917 -22.8917 -6.9453 -6.9453 -5.8723 -5.8723 -4.0050 -4.0050 -3.8834 -3.8834 -2.7827 -2.7827 -2.3530 -2.3530 5.6194 5.6194 7.2280 7.2280 8.5419 8.5419 10.1988 10.1988 11.0169 11.0169 11.5607 11.5607 11.8097 11.8097 12.6023 12.6023 14.3560 14.3560 22.5587 22.5587 23.7607 23.7607 23.9078 23.9078 24.3251 24.3251 k = 0.3529 0.3529-0.0000 ( 1326 PWs) bands (ev): -22.8942 -22.8942 -6.9883 -6.9883 -5.8447 -5.8447 -3.9572 -3.9572 -3.8608 -3.8608 -2.8197 -2.8197 -2.3548 -2.3548 5.6309 5.6309 7.1929 7.1929 8.6232 8.6232 10.1062 10.1062 11.0492 11.0492 11.6337 11.6337 11.7978 11.7978 12.6268 12.6268 14.3193 14.3193 22.5076 22.5076 23.7954 23.7954 23.8215 23.8215 24.2725 24.2725 k = 0.3456 0.3456-0.0000 ( 1326 PWs) bands (ev): -22.8968 -22.8968 -7.0297 -7.0297 -5.8157 -5.8157 -3.9383 -3.9383 -3.8106 -3.8106 -2.8574 -2.8574 -2.3567 -2.3567 5.6422 5.6422 7.1581 7.1581 8.7081 8.7081 10.0118 10.0118 11.0829 11.0829 11.7076 11.7076 11.7882 11.7882 12.6500 12.6500 14.2834 14.2834 22.4551 22.4551 23.7296 23.7296 23.8297 23.8297 24.2176 24.2176 k = 0.3382 0.3382-0.0000 ( 1326 PWs) bands (ev): -22.8995 -22.8995 -7.0696 -7.0696 -5.7855 -5.7855 -3.9345 -3.9345 -3.7468 -3.7468 -2.8957 -2.8957 -2.3587 -2.3587 5.6532 5.6532 7.1238 7.1238 8.7966 8.7966 9.9156 9.9156 11.1180 11.1180 11.7787 11.7787 11.7846 11.7846 12.6717 12.6717 14.2484 14.2484 22.4016 22.4016 23.6374 23.6374 23.8576 23.8576 24.1604 24.1604 k = 0.3309 0.3309-0.0000 ( 1324 PWs) bands (ev): -22.9024 -22.9024 -7.1078 -7.1078 -5.7541 -5.7541 -3.9357 -3.9357 -3.6799 -3.6799 -2.9344 -2.9344 -2.3608 -2.3608 5.6639 5.6639 7.0900 7.0900 8.8885 8.8885 9.8180 9.8180 11.1545 11.1545 11.7766 11.7766 11.8576 11.8576 12.6920 12.6920 14.2147 14.2147 22.3470 22.3470 23.5428 23.5428 23.8813 23.8813 24.1007 24.1007 k = 0.3235 0.3235-0.0000 ( 1328 PWs) bands (ev): -22.9053 -22.9053 -7.1443 -7.1443 -5.7216 -5.7216 -3.9389 -3.9389 -3.6131 -3.6131 -2.9732 -2.9732 -2.3630 -2.3630 5.6746 5.6746 7.0570 7.0570 8.9836 8.9836 9.7189 9.7189 11.1922 11.1922 11.7754 11.7754 11.9330 11.9330 12.7109 12.7109 14.1823 14.1823 22.2915 22.2915 23.4463 23.4463 23.8995 23.8995 24.0388 24.0388 k = 0.3162 0.3162-0.0000 ( 1328 PWs) bands (ev): -22.9082 -22.9082 -7.1792 -7.1792 -5.6879 -5.6879 -3.9430 -3.9430 -3.5479 -3.5479 -3.0118 -3.0118 -2.3655 -2.3655 5.6851 5.6851 7.0247 7.0247 9.0816 9.0816 9.6185 9.6185 11.2313 11.2313 11.7774 11.7774 12.0086 12.0086 12.7284 12.7284 14.1513 14.1513 22.2353 22.2353 23.3480 23.3480 23.9120 23.9120 23.9749 23.9749 k = 0.3088 0.3088-0.0000 ( 1328 PWs) bands (ev): -22.9113 -22.9113 -7.2124 -7.2124 -5.6531 -5.6531 -3.9476 -3.9476 -3.4850 -3.4850 -3.0497 -3.0497 -2.3682 -2.3682 5.6956 5.6956 6.9932 6.9932 9.1825 9.1825 9.5171 9.5171 11.2715 11.2715 11.7827 11.7827 12.0842 12.0842 12.7444 12.7444 14.1220 14.1220 22.1785 22.1785 23.2482 23.2482 23.9064 23.9064 23.9210 23.9210 k = 0.3015 0.3015-0.0000 ( 1326 PWs) bands (ev): -22.9144 -22.9144 -7.2439 -7.2439 -5.6172 -5.6172 -3.9527 -3.9527 -3.4256 -3.4256 -3.0861 -3.0861 -2.3710 -2.3710 5.7063 5.7063 6.9626 6.9626 9.2859 9.2859 9.4147 9.4147 11.3129 11.3129 11.7916 11.7916 12.1596 12.1596 12.7591 12.7591 14.0945 14.0945 22.1211 22.1211 23.1471 23.1471 23.8398 23.8398 23.9021 23.9021 k = 0.2941 0.2941-0.0000 ( 1334 PWs) bands (ev): -22.9176 -22.9176 -7.2737 -7.2737 -5.5803 -5.5803 -3.9581 -3.9581 -3.3715 -3.3715 -3.1192 -3.1192 -2.3743 -2.3743 5.7172 5.7172 6.9330 6.9330 9.3111 9.3111 9.3922 9.3922 11.3555 11.3555 11.8042 11.8042 12.2346 12.2346 12.7724 12.7724 14.0686 14.0686 22.0632 22.0632 23.0446 23.0446 23.7699 23.7699 23.8363 23.8363 k = 0.2868 0.2868-0.0000 ( 1330 PWs) bands (ev): -22.9208 -22.9208 -7.3018 -7.3018 -5.5425 -5.5425 -3.9637 -3.9637 -3.3275 -3.3275 -3.1444 -3.1444 -2.3777 -2.3777 5.7283 5.7283 6.9043 6.9043 9.2073 9.2073 9.5001 9.5001 11.3991 11.3991 11.8206 11.8206 12.3091 12.3091 12.7844 12.7844 14.0447 14.0447 22.0051 22.0051 22.9415 22.9415 23.6981 23.6981 23.7688 23.7688 k = 0.2794 0.2794-0.0000 ( 1330 PWs) bands (ev): -22.9241 -22.9241 -7.3282 -7.3282 -5.5037 -5.5037 -3.9696 -3.9696 -3.3040 -3.3040 -3.1512 -3.1512 -2.3814 -2.3814 5.7400 5.7400 6.8766 6.8766 9.1029 9.1029 9.6100 9.6100 11.4437 11.4437 11.8408 11.8408 12.3830 12.3830 12.7951 12.7951 14.0227 14.0227 21.9468 21.9468 22.8375 22.8375 23.6246 23.6246 23.6996 23.6996 k = 0.2721 0.2721-0.0000 ( 1330 PWs) bands (ev): -22.9274 -22.9274 -7.3529 -7.3529 -5.4640 -5.4640 -3.9755 -3.9755 -3.3092 -3.3092 -3.1317 -3.1317 -2.3855 -2.3855 5.7522 5.7522 6.8500 6.8500 8.9983 8.9983 9.7217 9.7217 11.4892 11.4892 11.8651 11.8651 12.4561 12.4561 12.8046 12.8046 14.0026 14.0026 21.8883 21.8883 22.7329 22.7329 23.5497 23.5497 23.6290 23.6290 k = 0.2647 0.2647-0.0000 ( 1330 PWs) bands (ev): -22.9308 -22.9308 -7.3760 -7.3760 -5.4235 -5.4235 -3.9817 -3.9817 -3.3330 -3.3330 -3.0959 -3.0959 -2.3900 -2.3900 5.7650 5.7650 6.8244 6.8244 8.8934 8.8934 9.8349 9.8349 11.5356 11.5356 11.8934 11.8934 12.5283 12.5283 12.8130 12.8130 13.9844 13.9844 21.8297 21.8297 22.6280 22.6280 23.4735 23.4735 23.5569 23.5569 k = 0.2574 0.2574-0.0000 ( 1318 PWs) bands (ev): -22.9341 -22.9341 -7.3974 -7.3974 -5.3823 -5.3823 -3.9879 -3.9879 -3.3642 -3.3642 -3.0549 -3.0549 -2.3947 -2.3947 5.7787 5.7787 6.7999 6.7999 8.7887 8.7887 9.9493 9.9493 11.5829 11.5829 11.9257 11.9257 12.5996 12.5996 12.8204 12.8204 13.9681 13.9681 21.7714 21.7714 22.5232 22.5232 23.3964 23.3964 23.4836 23.4836 k = 0.2500 0.2500-0.0000 ( 1318 PWs) bands (ev): -22.9375 -22.9375 -7.4173 -7.4173 -5.3403 -5.3403 -3.9942 -3.9942 -3.3982 -3.3982 -3.0135 -3.0135 -2.3999 -2.3999 5.7932 5.7932 6.7765 6.7765 8.6842 8.6842 10.0646 10.0646 11.6308 11.6308 11.9621 11.9621 12.6696 12.6696 12.8268 12.8268 13.9536 13.9536 21.7130 21.7130 22.4183 22.4183 23.3182 23.3182 23.4092 23.4092 k = 0.2426 0.2426-0.0000 ( 1322 PWs) bands (ev): -22.9410 -22.9410 -7.4356 -7.4356 -5.2977 -5.2977 -4.0007 -4.0007 -3.4330 -3.4330 -2.9735 -2.9735 -2.4056 -2.4056 5.8086 5.8086 6.7542 6.7542 8.5800 8.5800 10.1806 10.1806 11.6793 11.6793 12.0026 12.0026 12.7383 12.7383 12.8324 12.8324 13.9409 13.9409 21.6547 21.6547 22.3136 22.3136 23.2393 23.2393 23.3338 23.3338 k = 0.2353 0.2353-0.0000 ( 1332 PWs) bands (ev): -22.9444 -22.9444 -7.4524 -7.4524 -5.2545 -5.2545 -4.0074 -4.0074 -3.4680 -3.4680 -2.9356 -2.9356 -2.4117 -2.4117 5.8251 5.8251 6.7329 6.7329 8.4765 8.4765 10.2972 10.2972 11.7284 11.7284 12.0471 12.0471 12.8048 12.8048 12.8380 12.8380 13.9298 13.9298 21.5965 21.5965 22.2093 22.2093 23.1598 23.1598 23.2573 23.2573 k = 0.2279 0.2279-0.0000 ( 1330 PWs) bands (ev): -22.9478 -22.9478 -7.4677 -7.4677 -5.2108 -5.2108 -4.0141 -4.0141 -3.5026 -3.5026 -2.9003 -2.9003 -2.4182 -2.4182 5.8427 5.8427 6.7127 6.7127 8.3738 8.3738 10.4139 10.4139 11.7780 11.7780 12.0955 12.0955 12.8387 12.8387 12.8742 12.8742 13.9204 13.9204 21.5386 21.5386 22.1058 22.1058 23.0801 23.0801 23.1803 23.1803 k = 0.2206 0.2206-0.0000 ( 1324 PWs) bands (ev): -22.9513 -22.9513 -7.4816 -7.4816 -5.1666 -5.1666 -4.0207 -4.0207 -3.5365 -3.5365 -2.8677 -2.8677 -2.4252 -2.4252 5.8614 5.8614 6.6936 6.6936 8.2720 8.2720 10.5306 10.5306 11.8280 11.8280 12.1478 12.1478 12.8430 12.8430 12.9379 12.9379 13.9124 13.9124 21.4811 21.4811 22.0031 22.0031 23.0004 23.0004 23.1028 23.1028 k = 0.2132 0.2132-0.0000 ( 1328 PWs) bands (ev): -22.9547 -22.9547 -7.4941 -7.4941 -5.1221 -5.1221 -4.0275 -4.0275 -3.5697 -3.5697 -2.8380 -2.8380 -2.4326 -2.4326 5.8812 5.8812 6.6755 6.6755 8.1714 8.1714 10.6470 10.6470 11.8782 11.8782 12.2038 12.2038 12.8459 12.8459 13.0007 13.0007 13.9059 13.9059 21.4239 21.4239 21.9013 21.9013 22.9207 22.9207 23.0249 23.0249 k = 0.2059 0.2059-0.0000 ( 1328 PWs) bands (ev): -22.9581 -22.9581 -7.5052 -7.5052 -5.0774 -5.0774 -4.0343 -4.0343 -3.6019 -3.6019 -2.8111 -2.8111 -2.4406 -2.4406 5.9021 5.9021 6.6585 6.6585 8.0721 8.0721 10.7629 10.7629 11.9286 11.9286 12.2635 12.2635 12.8483 12.8483 13.0620 13.0620 13.9007 13.9007 21.3670 21.3670 21.8008 21.8008 22.8414 22.8414 22.9468 22.9468 k = 0.1985 0.1985-0.0000 ( 1328 PWs) bands (ev): -22.9614 -22.9614 -7.5150 -7.5150 -5.0325 -5.0325 -4.0411 -4.0411 -3.6331 -3.6331 -2.7871 -2.7871 -2.4491 -2.4491 5.9242 5.9242 6.6424 6.6424 7.9744 7.9744 10.8781 10.8781 11.9791 11.9791 12.3267 12.3267 12.8503 12.8503 13.1217 13.1217 13.8967 13.8967 21.3105 21.3105 21.7017 21.7017 22.7627 22.7627 22.8688 22.8688 k = 0.1912 0.1912-0.0000 ( 1324 PWs) bands (ev): -22.9647 -22.9647 -7.5236 -7.5236 -4.9875 -4.9875 -4.0478 -4.0478 -3.6631 -3.6631 -2.7659 -2.7659 -2.4581 -2.4581 5.9473 5.9473 6.6274 6.6274 7.8784 7.8784 10.9922 10.9922 12.0295 12.0295 12.3931 12.3931 12.8520 12.8520 13.1796 13.1796 13.8938 13.8938 21.2545 21.2545 21.6042 21.6042 22.6849 22.6849 22.7908 22.7908 k = 0.1838 0.1838-0.0000 ( 1324 PWs) bands (ev): -22.9680 -22.9680 -7.5311 -7.5311 -4.9425 -4.9425 -4.0546 -4.0546 -3.6920 -3.6920 -2.7475 -2.7475 -2.4676 -2.4676 5.9715 5.9715 6.6133 6.6133 7.7842 7.7842 11.1052 11.1052 12.0798 12.0798 12.4626 12.4626 12.8535 12.8535 13.2356 13.2356 13.8919 13.8919 21.1988 21.1988 21.5085 21.5085 22.6080 22.6080 22.7133 22.7133 k = 0.1765 0.1765-0.0000 ( 1321 PWs) bands (ev): -22.9712 -22.9712 -7.5375 -7.5375 -4.8977 -4.8977 -4.0612 -4.0612 -3.7195 -3.7195 -2.7318 -2.7318 -2.4776 -2.4776 5.9965 5.9965 6.6001 6.6001 7.6921 7.6921 11.2167 11.2167 12.1298 12.1298 12.5347 12.5347 12.8548 12.8548 13.2898 13.2898 13.8910 13.8910 21.1435 21.1435 21.4147 21.4147 22.5323 22.5323 22.6363 22.6363 k = 0.1691 0.1691-0.0000 ( 1321 PWs) bands (ev): -22.9743 -22.9743 -7.5428 -7.5428 -4.8533 -4.8533 -4.0677 -4.0677 -3.7457 -3.7457 -2.7186 -2.7186 -2.4882 -2.4882 6.0224 6.0224 6.5879 6.5879 7.6022 7.6022 11.3267 11.3267 12.1794 12.1794 12.6093 12.6093 12.8560 12.8560 13.3419 13.3419 13.8908 13.8908 21.0887 21.0887 21.3230 21.3230 22.4581 22.4581 22.5601 22.5601 k = 0.1618 0.1618-0.0000 ( 1321 PWs) bands (ev): -22.9774 -22.9774 -7.5471 -7.5471 -4.8093 -4.8093 -4.0741 -4.0741 -3.7706 -3.7706 -2.7078 -2.7078 -2.4993 -2.4993 6.0490 6.0490 6.5765 6.5765 7.5148 7.5148 11.4348 11.4348 12.2284 12.2284 12.6860 12.6860 12.8572 12.8572 13.3921 13.3921 13.8914 13.8914 21.0342 21.0342 21.2337 21.2337 22.3855 22.3855 22.4849 22.4849 k = 0.1544 0.1544-0.0000 ( 1321 PWs) bands (ev): -22.9804 -22.9804 -7.5506 -7.5506 -4.7660 -4.7660 -4.0801 -4.0801 -3.7940 -3.7940 -2.6993 -2.6993 -2.5108 -2.5108 6.0762 6.0762 6.5659 6.5659 7.4298 7.4298 11.5410 11.5410 12.2768 12.2768 12.7642 12.7642 12.8584 12.8584 13.4403 13.4403 13.8926 13.8926 20.9802 20.9802 21.1467 21.1467 22.3147 22.3147 22.4108 22.4108 k = 0.1471 0.1471-0.0000 ( 1321 PWs) bands (ev): -22.9833 -22.9833 -7.5533 -7.5533 -4.7235 -4.7235 -4.0858 -4.0858 -3.8159 -3.8159 -2.6929 -2.6929 -2.5229 -2.5229 6.1038 6.1038 6.5561 6.5561 7.3476 7.3476 11.6449 11.6449 12.3243 12.3243 12.8426 12.8426 12.8606 12.8606 13.4864 13.4864 13.8944 13.8944 20.9266 20.9266 21.0625 21.0625 22.2459 22.2459 22.3382 22.3382 k = 0.1397 0.1397-0.0000 ( 1321 PWs) bands (ev): -22.9862 -22.9862 -7.5551 -7.5551 -4.6821 -4.6821 -4.0911 -4.0911 -3.8364 -3.8364 -2.6885 -2.6885 -2.5354 -2.5354 6.1316 6.1316 6.5471 6.5471 7.2684 7.2684 11.7466 11.7466 12.3709 12.3709 12.8599 12.8599 12.9249 12.9249 13.5303 13.5303 13.8967 13.8967 20.8734 20.8734 20.9810 20.9810 22.1792 22.1792 22.2672 22.2672 k = 0.1324 0.1324-0.0000 ( 1317 PWs) bands (ev): -22.9889 -22.9889 -7.5563 -7.5563 -4.6420 -4.6420 -4.0957 -4.0957 -3.8553 -3.8553 -2.6859 -2.6859 -2.5484 -2.5484 6.1596 6.1596 6.5389 6.5389 7.1921 7.1921 11.8457 11.8457 12.4164 12.4164 12.8612 12.8612 13.0055 13.0055 13.5722 13.5722 13.8994 13.8994 20.8207 20.8207 20.9026 20.9026 22.1150 22.1150 22.1981 22.1981 k = 0.1250 0.1250-0.0000 ( 1317 PWs) bands (ev): -22.9915 -22.9915 -7.5569 -7.5569 -4.6034 -4.6034 -4.0994 -4.0994 -3.8729 -3.8729 -2.6848 -2.6848 -2.5617 -2.5617 6.1874 6.1874 6.5313 6.5313 7.1190 7.1190 11.9420 11.9420 12.4606 12.4606 12.8625 12.8625 13.0861 13.0861 13.6118 13.6118 13.9025 13.9025 20.7684 20.7684 20.8273 20.8273 22.0532 22.0532 22.1311 22.1311 k = 0.1176 0.1176-0.0000 ( 1329 PWs) bands (ev): -22.9940 -22.9940 -7.5570 -7.5570 -4.5669 -4.5669 -4.1023 -4.1023 -3.8892 -3.8892 -2.6851 -2.6851 -2.5753 -2.5753 6.2149 6.2149 6.5243 6.5243 7.0493 7.0493 12.0353 12.0353 12.5033 12.5033 12.8637 12.8637 13.1660 13.1660 13.6493 13.6493 13.9058 13.9058 20.7165 20.7165 20.7552 20.7552 21.9939 21.9939 22.0662 22.0662 k = 0.1103 0.1103-0.0000 ( 1329 PWs) bands (ev): -22.9964 -22.9964 -7.5566 -7.5566 -4.5326 -4.5326 -4.1037 -4.1037 -3.9039 -3.9039 -2.6866 -2.6866 -2.5892 -2.5892 6.2420 6.2420 6.5181 6.5181 6.9831 6.9831 12.1255 12.1255 12.5446 12.5446 12.8649 12.8649 13.2448 13.2448 13.6845 13.6845 13.9094 13.9094 20.6652 20.6652 20.6867 20.6867 21.9377 21.9377 22.0040 22.0040 k = 0.1029 0.1029-0.0000 ( 1333 PWs) bands (ev): -22.9987 -22.9987 -7.5558 -7.5558 -4.5009 -4.5009 -4.1036 -4.1036 -3.9173 -3.9173 -2.6891 -2.6891 -2.6032 -2.6032 6.2684 6.2684 6.5124 6.5124 6.9204 6.9204 12.2122 12.2122 12.5840 12.5840 12.8661 12.8661 13.3217 13.3217 13.7176 13.7176 13.9131 13.9131 20.6145 20.6145 20.6219 20.6219 21.8843 21.8843 21.9445 21.9445 k = 0.0956 0.0956-0.0000 ( 1333 PWs) bands (ev): -23.0008 -23.0008 -7.5548 -7.5548 -4.4722 -4.4722 -4.1016 -4.1016 -3.9294 -3.9294 -2.6925 -2.6925 -2.6172 -2.6172 6.2940 6.2940 6.5073 6.5073 6.8615 6.8615 12.2951 12.2951 12.6216 12.6216 12.8674 12.8674 13.3964 13.3964 13.7483 13.7483 13.9170 13.9170 20.5601 20.5601 20.5654 20.5654 21.8341 21.8341 21.8881 21.8881 k = 0.0882 0.0882-0.0000 ( 1331 PWs) bands (ev): -23.0028 -23.0028 -7.5534 -7.5534 -4.4469 -4.4469 -4.0976 -4.0976 -3.9403 -3.9403 -2.6964 -2.6964 -2.6312 -2.6312 6.3185 6.3185 6.5027 6.5027 6.8065 6.8065 12.3740 12.3740 12.6572 12.6572 12.8687 12.8687 13.4683 13.4683 13.7769 13.7769 13.9209 13.9209 20.5031 20.5031 20.5165 20.5165 21.7872 21.7872 21.8348 21.8348 k = 0.0809 0.0809-0.0000 ( 1341 PWs) bands (ev): -23.0047 -23.0047 -7.5519 -7.5519 -4.4253 -4.4253 -4.0914 -4.0914 -3.9501 -3.9501 -2.7009 -2.7009 -2.6450 -2.6450 6.3417 6.3417 6.4986 6.4986 6.7555 6.7555 12.4485 12.4485 12.6906 12.6906 12.8699 12.8699 13.5367 13.5367 13.8031 13.8031 13.9249 13.9249 20.4498 20.4498 20.4689 20.4689 21.7435 21.7435 21.7849 21.7849 k = 0.0735 0.0735-0.0000 ( 1341 PWs) bands (ev): -23.0064 -23.0064 -7.5503 -7.5503 -4.4072 -4.4072 -4.0832 -4.0832 -3.9587 -3.9587 -2.7056 -2.7056 -2.6585 -2.6585 6.3635 6.3635 6.4950 6.4950 6.7086 6.7086 12.5182 12.5182 12.7216 12.7216 12.8711 12.8711 13.6011 13.6011 13.8270 13.8270 13.9290 13.9290 20.4008 20.4008 20.4231 20.4231 21.7032 21.7032 21.7386 21.7386 k = 0.0662 0.0662-0.0000 ( 1341 PWs) bands (ev): -23.0080 -23.0080 -7.5487 -7.5487 -4.3926 -4.3926 -4.0732 -4.0732 -3.9663 -3.9663 -2.7104 -2.7104 -2.6714 -2.6714 6.3836 6.3836 6.4919 6.4919 6.6659 6.6659 12.5828 12.5828 12.7501 12.7501 12.8723 12.8723 13.6611 13.6611 13.8487 13.8487 13.9330 13.9330 20.3560 20.3560 20.3794 20.3794 21.6665 21.6665 21.6961 21.6961 k = 0.0588 0.0588-0.0000 ( 1345 PWs) bands (ev): -23.0094 -23.0094 -7.5470 -7.5470 -4.3813 -4.3813 -4.0619 -4.0619 -3.9729 -3.9729 -2.7151 -2.7151 -2.6837 -2.6837 6.4019 6.4019 6.4893 6.4893 6.6276 6.6276 12.6418 12.6418 12.7761 12.7761 12.8735 12.8735 13.7159 13.7159 13.8681 13.8681 13.9371 13.9371 20.3156 20.3156 20.3381 20.3381 21.6332 21.6332 21.6575 21.6575 k = 0.0515 0.0515-0.0000 ( 1349 PWs) bands (ev): -23.0107 -23.0107 -7.5454 -7.5454 -4.3727 -4.3727 -4.0499 -4.0499 -3.9787 -3.9787 -2.7197 -2.7197 -2.6951 -2.6951 6.4181 6.4181 6.4872 6.4872 6.5937 6.5937 12.6950 12.6950 12.7993 12.7993 12.8746 12.8746 13.7650 13.7650 13.8853 13.8853 13.9412 13.9412 20.2797 20.2797 20.2998 20.2998 21.6037 21.6037 21.6231 21.6231 k = 0.0441 0.0441-0.0000 ( 1349 PWs) bands (ev): -23.0118 -23.0118 -7.5440 -7.5440 -4.3663 -4.3663 -4.0378 -4.0378 -3.9835 -3.9835 -2.7239 -2.7239 -2.7055 -2.7055 6.4319 6.4319 6.4856 6.4856 6.5644 6.5644 12.7419 12.7419 12.8196 12.8196 12.8758 12.8758 13.8076 13.8076 13.9007 13.9007 13.9454 13.9454 20.2484 20.2484 20.2652 20.2652 21.5779 21.5779 21.5929 21.5929 k = 0.0368 0.0368-0.0000 ( 1353 PWs) bands (ev): -23.0127 -23.0127 -7.5426 -7.5426 -4.3618 -4.3618 -4.0265 -4.0265 -3.9875 -3.9875 -2.7277 -2.7277 -2.7147 -2.7147 6.4430 6.4430 6.4848 6.4848 6.5399 6.5399 12.7822 12.7822 12.8368 12.8368 12.8769 12.8769 13.8429 13.8429 13.9147 13.9147 13.9495 13.9495 20.2217 20.2217 20.2346 20.2346 21.5558 21.5558 21.5672 21.5672 k = 0.0294 0.0294-0.0000 ( 1353 PWs) bands (ev): -23.0135 -23.0135 -7.5415 -7.5415 -4.3586 -4.3586 -4.0163 -4.0163 -3.9908 -3.9908 -2.7309 -2.7309 -2.7225 -2.7225 6.4508 6.4508 6.4850 6.4850 6.5203 6.5203 12.8154 12.8154 12.8509 12.8509 12.8783 12.8783 13.8698 13.8698 13.9280 13.9280 13.9535 13.9535 20.1998 20.1998 20.2088 20.2088 21.5376 21.5376 21.5459 21.5459 k = 0.0221 0.0221-0.0000 ( 1357 PWs) bands (ev): -23.0141 -23.0141 -7.5406 -7.5406 -4.3565 -4.3565 -4.0079 -4.0079 -3.9933 -3.9933 -2.7335 -2.7335 -2.7287 -2.7287 6.4550 6.4550 6.4862 6.4862 6.5060 6.5060 12.8411 12.8411 12.8614 12.8614 12.8803 12.8803 13.8881 13.8881 13.9409 13.9409 13.9571 13.9571 20.1827 20.1827 20.1880 20.1880 21.5231 21.5231 21.5289 21.5289 k = 0.0147 0.0147-0.0000 ( 1357 PWs) bands (ev): -23.0145 -23.0145 -7.5399 -7.5399 -4.3551 -4.3551 -4.0017 -4.0017 -3.9951 -3.9951 -2.7354 -2.7354 -2.7333 -2.7333 6.4560 6.4560 6.4881 6.4881 6.4967 6.4967 12.8589 12.8589 12.8679 12.8679 12.8835 12.8835 13.8990 13.8990 13.9521 13.9521 13.9599 13.9599 20.1704 20.1704 20.1729 20.1729 21.5125 21.5126 21.5158 21.5161 k = 0.0074 0.0074-0.0000 ( 1357 PWs) bands (ev): -23.0148 -23.0148 -7.5395 -7.5395 -4.3544 -4.3544 -3.9978 -3.9978 -3.9961 -3.9961 -2.7366 -2.7366 -2.7360 -2.7360 6.4556 6.4556 6.4897 6.4897 6.4918 6.4918 12.8687 12.8687 12.8709 12.8709 12.8873 12.8873 13.9046 13.9046 13.9597 13.9597 13.9618 13.9618 20.1631 20.1631 20.1637 20.1637 21.5061 21.5061 21.5070 21.5070 k = 0.0000 0.0000 0.0000 ( 1357 PWs) bands (ev): -23.0149 -23.0149 -7.5394 -7.5394 -4.3541 -4.3541 -3.9965 -3.9965 -3.9965 -3.9965 -2.7370 -2.7370 -2.7370 -2.7370 6.4552 6.4552 6.4903 6.4903 6.4903 6.4903 12.8718 12.8718 12.8718 12.8718 12.8890 12.8890 13.9063 13.9063 13.9624 13.9624 13.9624 13.9624 20.1606 20.1606 20.1606 20.1606 21.5039 21.5039 21.5039 21.5039 k = 0.0000 0.0000 0.0000 ( 1357 PWs) bands (ev): -23.0149 -23.0149 -7.5394 -7.5394 -4.3541 -4.3541 -3.9965 -3.9965 -3.9965 -3.9965 -2.7370 -2.7370 -2.7370 -2.7370 6.4552 6.4552 6.4903 6.4903 6.4903 6.4903 12.8718 12.8718 12.8718 12.8718 12.8890 12.8890 13.9063 13.9063 13.9624 13.9624 13.9624 13.9624 20.1606 20.1606 20.1606 20.1606 21.5039 21.5039 21.5039 21.5039 k = 0.0060 0.0060 0.0060 ( 1357 PWs) bands (ev): -23.0148 -23.0148 -7.5395 -7.5395 -4.3544 -4.3544 -3.9978 -3.9978 -3.9960 -3.9960 -2.7364 -2.7364 -2.7362 -2.7362 6.4555 6.4555 6.4896 6.4896 6.4919 6.4919 12.8686 12.8686 12.8710 12.8710 12.8873 12.8873 13.9046 13.9046 13.9596 13.9596 13.9619 13.9619 20.1634 20.1634 20.1634 20.1634 21.5064 21.5065 21.5067 21.5068 k = 0.0120 0.0120 0.0120 ( 1357 PWs) bands (ev): -23.0145 -23.0145 -7.5399 -7.5399 -4.3551 -4.3551 -4.0020 -4.0020 -3.9948 -3.9948 -2.7348 -2.7348 -2.7338 -2.7338 6.4555 6.4555 6.4886 6.4886 6.4967 6.4967 12.8593 12.8593 12.8661 12.8661 12.8848 12.8848 13.8988 13.8988 13.9518 13.9518 13.9603 13.9603 20.1717 20.1717 20.1718 20.1718 21.5140 21.5140 21.5152 21.5152 k = 0.0181 0.0181 0.0181 ( 1357 PWs) bands (ev): -23.0141 -23.0141 -7.5406 -7.5406 -4.3565 -4.3565 -4.0088 -4.0088 -3.9925 -3.9925 -2.7322 -2.7322 -2.7300 -2.7300 6.4519 6.4519 6.4906 6.4906 6.5047 6.5047 12.8438 12.8438 12.8530 12.8530 12.8857 12.8857 13.8869 13.8869 13.9411 13.9411 13.9577 13.9577 20.1854 20.1854 20.1856 20.1856 21.5264 21.5264 21.5294 21.5296 k = 0.0241 0.0241 0.0241 ( 1357 PWs) bands (ev): -23.0135 -23.0135 -7.5415 -7.5415 -4.3588 -4.3588 -4.0182 -4.0182 -3.9890 -3.9890 -2.7285 -2.7285 -2.7247 -2.7247 6.4422 6.4422 6.4981 6.4981 6.5160 6.5160 12.8222 12.8222 12.8324 12.8324 12.8893 12.8893 13.8662 13.8662 13.9304 13.9304 13.9542 13.9542 20.2042 20.2042 20.2046 20.2046 21.5433 21.5433 21.5493 21.5494 k = 0.0301 0.0301 0.0301 ( 1351 PWs) bands (ev): -23.0127 -23.0127 -7.5426 -7.5426 -4.3620 -4.3620 -4.0300 -4.0300 -3.9840 -3.9840 -2.7240 -2.7240 -2.7181 -2.7181 6.4270 6.4270 6.5107 6.5107 6.5304 6.5304 12.7948 12.7948 12.8054 12.8054 12.8949 12.8949 13.8353 13.8353 13.9213 13.9213 13.9497 13.9497 20.2279 20.2279 20.2285 20.2285 21.5647 21.5647 21.5749 21.5749 k = 0.0361 0.0361 0.0361 ( 1345 PWs) bands (ev): -23.0117 -23.0117 -7.5438 -7.5438 -4.3666 -4.3666 -4.0442 -4.0442 -3.9773 -3.9773 -2.7186 -2.7186 -2.7104 -2.7104 6.4071 6.4071 6.5274 6.5274 6.5480 6.5480 12.7617 12.7617 12.7724 12.7724 12.9020 12.9020 13.7950 13.7950 13.9132 13.9132 13.9445 13.9445 20.2561 20.2561 20.2570 20.2570 21.5900 21.5900 21.6064 21.6064 k = 0.0422 0.0422 0.0422 ( 1345 PWs) bands (ev): -23.0106 -23.0106 -7.5452 -7.5452 -4.3727 -4.3727 -4.0606 -4.0606 -3.9686 -3.9686 -2.7126 -2.7126 -2.7017 -2.7017 6.3832 6.3832 6.5477 6.5477 6.5688 6.5688 12.7232 12.7232 12.7339 12.7339 12.9105 12.9105 13.7463 13.7463 13.9056 13.9056 13.9385 13.9385 20.2884 20.2884 20.2895 20.2895 21.6191 21.6191 21.6436 21.6436 k = 0.0482 0.0482 0.0482 ( 1345 PWs) bands (ev): -23.0094 -23.0094 -7.5466 -7.5466 -4.3806 -4.3806 -4.0790 -4.0790 -3.9577 -3.9577 -2.7060 -2.7060 -2.6922 -2.6922 6.3557 6.3557 6.5715 6.5715 6.5927 6.5927 12.6795 12.6795 12.6901 12.6901 12.9204 12.9204 13.6898 13.6898 13.8979 13.8979 13.9318 13.9318 20.3244 20.3244 20.3259 20.3259 21.6516 21.6516 21.6866 21.6866 k = 0.0542 0.0542 0.0542 ( 1345 PWs) bands (ev): -23.0079 -23.0079 -7.5480 -7.5480 -4.3903 -4.3903 -4.0991 -4.0991 -3.9444 -3.9444 -2.6989 -2.6989 -2.6821 -2.6821 6.3247 6.3247 6.5986 6.5986 6.6197 6.6197 12.6310 12.6310 12.6415 12.6415 12.9316 12.9316 13.6261 13.6261 13.8901 13.8901 13.9246 13.9246 20.3637 20.3637 20.3654 20.3654 21.6872 21.6872 21.7354 21.7354 k = 0.0602 0.0602 0.0602 ( 1345 PWs) bands (ev): -23.0064 -23.0064 -7.5492 -7.5492 -4.4019 -4.4019 -4.1209 -4.1209 -3.9287 -3.9287 -2.6916 -2.6916 -2.6715 -2.6715 6.2905 6.2905 6.6288 6.6288 6.6499 6.6499 12.5780 12.5780 12.5883 12.5883 12.9440 12.9440 13.5556 13.5556 13.8820 13.8820 13.9170 13.9170 20.4057 20.4057 20.4079 20.4079 21.7257 21.7257 21.7898 21.7898 k = 0.0663 0.0663 0.0663 ( 1340 PWs) bands (ev): -23.0046 -23.0046 -7.5503 -7.5503 -4.4153 -4.4153 -4.1441 -4.1441 -3.9105 -3.9105 -2.6840 -2.6840 -2.6607 -2.6607 6.2533 6.2533 6.6623 6.6623 6.6831 6.6831 12.5208 12.5208 12.5309 12.5309 12.9578 12.9578 13.4787 13.4787 13.8738 13.8738 13.9089 13.9089 20.4502 20.4502 20.4527 20.4527 21.7666 21.7666 21.8500 21.8500 k = 0.0723 0.0723 0.0723 ( 1334 PWs) bands (ev): -23.0027 -23.0027 -7.5512 -7.5512 -4.4306 -4.4306 -4.1685 -4.1685 -3.8898 -3.8898 -2.6765 -2.6765 -2.6498 -2.6498 6.2133 6.2133 6.6988 6.6988 6.7194 6.7194 12.4599 12.4599 12.4698 12.4698 12.9729 12.9729 13.3958 13.3958 13.8652 13.8652 13.9005 13.9005 20.4967 20.4967 20.4996 20.4996 21.8099 21.8099 21.9155 21.9174 k = 0.0783 0.0783 0.0783 ( 1334 PWs) bands (ev): -23.0006 -23.0006 -7.5517 -7.5517 -4.4475 -4.4475 -4.1941 -4.1941 -3.8670 -3.8670 -2.6690 -2.6690 -2.6390 -2.6390 6.1706 6.1706 6.7384 6.7384 6.7587 6.7587 12.3957 12.3957 12.4052 12.4052 12.9892 12.9892 13.3072 13.3072 13.8565 13.8565 13.8918 13.8918 20.5448 20.5448 20.5482 20.5482 21.8550 21.8550 21.9862 21.9862 k = 0.0843 0.0843 0.0843 ( 1328 PWs) bands (ev): -22.9985 -22.9985 -7.5519 -7.5519 -4.4659 -4.4659 -4.2205 -4.2205 -3.8421 -3.8421 -2.6618 -2.6618 -2.6285 -2.6285 6.1254 6.1254 6.7810 6.7810 6.8009 6.8009 12.3284 12.3284 12.3376 12.3376 13.0068 13.0068 13.2132 13.2132 13.8477 13.8477 13.8829 13.8829 20.5944 20.5944 20.5983 20.5983 21.9017 21.9017 22.0619 22.0619 k = 0.0904 0.0904 0.0904 ( 1328 PWs) bands (ev): -22.9961 -22.9961 -7.5515 -7.5515 -4.4856 -4.4856 -4.2478 -4.2478 -3.8154 -3.8154 -2.6550 -2.6550 -2.6184 -2.6184 6.0780 6.0780 6.8265 6.8265 6.8461 6.8461 12.2585 12.2585 12.2674 12.2674 13.0256 13.0256 13.1144 13.1144 13.8388 13.8388 13.8739 13.8739 20.6452 20.6452 20.6494 20.6494 21.9499 21.9499 22.1421 22.1448 k = 0.0964 0.0964 0.0964 ( 1328 PWs) bands (ev): -22.9937 -22.9937 -7.5505 -7.5505 -4.5065 -4.5065 -4.2756 -4.2756 -3.7870 -3.7870 -2.6486 -2.6486 -2.6088 -2.6088 6.0285 6.0285 6.8750 6.8750 6.8941 6.8941 12.1863 12.1863 12.1948 12.1948 13.0109 13.0109 13.0456 13.0456 13.8298 13.8298 13.8647 13.8647 20.6969 20.6969 20.7016 20.7016 21.9993 21.9993 22.2265 22.2265 k = 0.1024 0.1024 0.1024 ( 1328 PWs) bands (ev): -22.9911 -22.9911 -7.5489 -7.5489 -4.5284 -4.5284 -4.3039 -4.3039 -3.7571 -3.7571 -2.6429 -2.6429 -2.5999 -2.5999 5.9772 5.9772 6.9264 6.9264 6.9450 6.9450 12.1123 12.1123 12.1204 12.1204 12.9032 12.9032 13.0668 13.0668 13.8208 13.8208 13.8555 13.8555 20.7495 20.7495 20.7546 20.7546 22.0498 22.0498 22.3147 22.3147 k = 0.1084 0.1084 0.1084 ( 1322 PWs) bands (ev): -22.9884 -22.9884 -7.5466 -7.5466 -4.5510 -4.5510 -4.3325 -4.3325 -3.7259 -3.7259 -2.6378 -2.6378 -2.5918 -2.5918 5.9241 5.9241 6.9805 6.9805 6.9988 6.9988 12.0367 12.0367 12.0444 12.0444 12.7917 12.7917 13.0891 13.0891 13.8118 13.8118 13.8463 13.8463 20.8028 20.8028 20.8084 20.8084 22.1012 22.1012 22.4063 22.4074 k = 0.1145 0.1145 0.1145 ( 1328 PWs) bands (ev): -22.9855 -22.9855 -7.5434 -7.5434 -4.5743 -4.5743 -4.3614 -4.3614 -3.6939 -3.6939 -2.6335 -2.6335 -2.5847 -2.5847 5.8696 5.8696 7.0374 7.0374 7.0552 7.0552 11.9599 11.9599 11.9671 11.9671 12.6767 12.6767 13.1126 13.1126 13.8029 13.8029 13.8372 13.8372 20.8568 20.8568 20.8628 20.8628 22.1533 22.1533 22.5006 22.5009 k = 0.1205 0.1205 0.1205 ( 1328 PWs) bands (ev): -22.9826 -22.9826 -7.5393 -7.5393 -4.5981 -4.5981 -4.3904 -4.3904 -3.6610 -3.6610 -2.6302 -2.6302 -2.5786 -2.5786 5.8137 5.8137 7.0970 7.0970 7.1143 7.1143 11.8822 11.8822 11.8888 11.8888 12.5585 12.5585 13.1372 13.1372 13.7941 13.7941 13.8282 13.8282 20.9115 20.9115 20.9178 20.9178 22.2061 22.2061 22.5974 22.5981 k = 0.1265 0.1265 0.1265 ( 1319 PWs) bands (ev): -22.9795 -22.9795 -7.5341 -7.5341 -4.6222 -4.6222 -4.4193 -4.4193 -3.6274 -3.6274 -2.6278 -2.6278 -2.5735 -2.5735 5.7567 5.7567 7.1593 7.1593 7.1760 7.1760 11.8038 11.8038 11.8100 11.8100 12.4376 12.4376 13.1630 13.1630 13.7856 13.7856 13.8193 13.8193 20.9669 20.9669 20.9736 20.9736 22.2598 22.2598 22.6957 22.6957 k = 0.1325 0.1325 0.1325 ( 1319 PWs) bands (ev): -22.9764 -22.9764 -7.5280 -7.5280 -4.6466 -4.6466 -4.4482 -4.4482 -3.5935 -3.5935 -2.6264 -2.6264 -2.5697 -2.5697 5.6987 5.6987 7.2240 7.2240 7.2403 7.2403 11.7252 11.7252 11.7308 11.7308 12.3143 12.3143 13.1898 13.1898 13.7772 13.7772 13.8106 13.8106 21.0229 21.0229 21.0299 21.0299 22.3138 22.3138 22.7954 22.7956 k = 0.1386 0.1386 0.1386 ( 1319 PWs) bands (ev): -22.9732 -22.9732 -7.5207 -7.5207 -4.6711 -4.6711 -4.4769 -4.4769 -3.5593 -3.5593 -2.6262 -2.6262 -2.5672 -2.5672 5.6399 5.6399 7.2913 7.2913 7.3070 7.3070 11.6464 11.6464 11.6515 11.6515 12.1889 12.1889 13.2176 13.2176 13.7691 13.7691 13.8022 13.8022 21.0794 21.0794 21.0868 21.0868 22.3682 22.3682 22.8958 22.8958 k = 0.1446 0.1446 0.1446 ( 1319 PWs) bands (ev): -22.9698 -22.9698 -7.5122 -7.5122 -4.6956 -4.6956 -4.5053 -4.5053 -3.5252 -3.5252 -2.6272 -2.6272 -2.5660 -2.5660 5.5804 5.5804 7.3610 7.3610 7.3761 7.3761 11.5678 11.5678 11.5723 11.5723 12.0619 12.0619 13.2465 13.2465 13.7614 13.7614 13.7941 13.7941 21.1366 21.1366 21.1443 21.1443 22.4229 22.4229 22.9962 22.9963 k = 0.1506 0.1506 0.1506 ( 1325 PWs) bands (ev): -22.9664 -22.9664 -7.5025 -7.5025 -4.7199 -4.7199 -4.5333 -4.5333 -3.4914 -3.4914 -2.6294 -2.6294 -2.5661 -2.5661 5.5203 5.5203 7.4329 7.4329 7.4475 7.4475 11.4896 11.4896 11.4934 11.4934 11.9335 11.9335 13.2764 13.2764 13.7540 13.7540 13.7864 13.7864 21.1944 21.1944 21.2024 21.2024 22.4775 22.4775 23.0962 23.0964 k = 0.1566 0.1566 0.1566 ( 1325 PWs) bands (ev): -22.9629 -22.9629 -7.4914 -7.4914 -4.7441 -4.7441 -4.5610 -4.5610 -3.4578 -3.4578 -2.6328 -2.6328 -2.5678 -2.5678 5.4599 5.4599 7.5071 7.5071 7.5212 7.5212 11.4120 11.4120 11.4151 11.4151 11.8041 11.8041 13.3072 13.3072 13.7471 13.7471 13.7791 13.7791 21.2528 21.2528 21.2611 21.2611 22.5325 22.5325 23.1952 23.1960 k = 0.1627 0.1627 0.1627 ( 1322 PWs) bands (ev): -22.9594 -22.9594 -7.4789 -7.4789 -4.7680 -4.7680 -4.5881 -4.5881 -3.4248 -3.4248 -2.6376 -2.6376 -2.5709 -2.5709 5.3991 5.3991 7.5835 7.5835 7.5969 7.5969 11.3351 11.3351 11.3376 11.3376 11.6743 11.6743 13.3390 13.3390 13.7407 13.7407 13.7723 13.7723 21.3118 21.3118 21.3204 21.3204 22.5874 22.5874 23.2931 23.2936 k = 0.1687 0.1687 0.1687 ( 1322 PWs) bands (ev): -22.9558 -22.9558 -7.4650 -7.4650 -4.7915 -4.7915 -4.6147 -4.6147 -3.3925 -3.3925 -2.6437 -2.6437 -2.5755 -2.5755 5.3381 5.3381 7.6618 7.6618 7.6748 7.6748 11.2592 11.2592 11.2609 11.2609 11.5441 11.5441 13.3716 13.3716 13.7348 13.7348 13.7661 13.7661 21.3714 21.3714 21.3803 21.3803 22.6420 22.6420 23.3897 23.3902 k = 0.1747 0.1747 0.1747 ( 1322 PWs) bands (ev): -22.9521 -22.9521 -7.4497 -7.4497 -4.8146 -4.8146 -4.6407 -4.6407 -3.3612 -3.3612 -2.6511 -2.6511 -2.5817 -2.5817 5.2769 5.2769 7.7421 7.7421 7.7545 7.7545 11.1844 11.1844 11.1854 11.1854 11.4140 11.4140 13.4052 13.4052 13.7296 13.7296 13.7605 13.7605 21.4315 21.4315 21.4407 21.4407 22.6962 22.6962 23.4828 23.4828 k = 0.1807 0.1807 0.1807 ( 1325 PWs) bands (ev): -22.9484 -22.9484 -7.4328 -7.4328 -4.8371 -4.8371 -4.6660 -4.6660 -3.3310 -3.3310 -2.6599 -2.6599 -2.5894 -2.5894 5.2156 5.2156 7.8243 7.8243 7.8361 7.8361 11.1109 11.1109 11.1110 11.1110 11.2844 11.2844 13.4395 13.4395 13.7250 13.7250 13.7555 13.7555 21.4922 21.4922 21.5016 21.5016 22.7497 22.7497 23.5738 23.5751 k = 0.1867 0.1867 0.1867 ( 1334 PWs) bands (ev): -22.9446 -22.9446 -7.4143 -7.4143 -4.8592 -4.8592 -4.6906 -4.6906 -3.3021 -3.3021 -2.6701 -2.6701 -2.5988 -2.5988 5.1543 5.1543 7.9081 7.9081 7.9194 7.9194 11.0380 11.0380 11.0387 11.0387 11.1556 11.1556 13.4746 13.4746 13.7212 13.7212 13.7513 13.7513 21.5533 21.5533 21.5630 21.5630 22.8024 22.8024 23.6619 23.6632 k = 0.1928 0.1928 0.1928 ( 1334 PWs) bands (ev): -22.9408 -22.9408 -7.3942 -7.3942 -4.8805 -4.8805 -4.7144 -4.7144 -3.2745 -3.2745 -2.6816 -2.6816 -2.6097 -2.6097 5.0929 5.0929 7.9935 7.9935 8.0042 8.0042 10.9663 10.9663 10.9681 10.9681 11.0283 11.0283 13.5105 13.5105 13.7183 13.7183 13.7479 13.7479 21.6148 21.6148 21.6248 21.6248 22.8539 22.8539 23.7460 23.7480 k = 0.1988 0.1988 0.1988 ( 1337 PWs) bands (ev): -22.9370 -22.9370 -7.3724 -7.3724 -4.9012 -4.9012 -4.7374 -4.7374 -3.2486 -3.2486 -2.6945 -2.6945 -2.6222 -2.6222 5.0314 5.0314 8.0804 8.0804 8.0906 8.0906 10.8928 10.8928 10.8991 10.8991 10.9058 10.9058 13.5471 13.5471 13.7162 13.7162 13.7454 13.7454 21.6767 21.6767 21.6869 21.6869 22.9040 22.9040 23.8263 23.8278 k = 0.2048 0.2048 0.2048 ( 1331 PWs) bands (ev): -22.9331 -22.9331 -7.3490 -7.3490 -4.9211 -4.9211 -4.7595 -4.7595 -3.2244 -3.2244 -2.7086 -2.7086 -2.6364 -2.6364 4.9699 4.9699 8.1686 8.1686 8.1782 8.1782 10.7766 10.7766 10.8296 10.8296 10.8319 10.8319 13.5844 13.5844 13.7152 13.7152 13.7440 13.7440 21.7390 21.7390 21.7494 21.7494 22.9524 22.9524 23.9035 23.9044 k = 0.2108 0.2108 0.2108 ( 1334 PWs) bands (ev): -22.9292 -22.9292 -7.3238 -7.3238 -4.9403 -4.9403 -4.7807 -4.7807 -3.2022 -3.2022 -2.7240 -2.7240 -2.6521 -2.6521 4.9082 4.9082 8.2580 8.2580 8.2670 8.2670 10.6550 10.6550 10.7629 10.7629 10.7664 10.7664 13.6223 13.6223 13.7151 13.7151 13.7435 13.7435 21.8014 21.8014 21.8121 21.8121 22.9988 22.9988 23.9744 23.9764 k = 0.2169 0.2169 0.2169 ( 1334 PWs) bands (ev): -22.9253 -22.9253 -7.2970 -7.2970 -4.9586 -4.9586 -4.8009 -4.8009 -3.1819 -3.1819 -2.7407 -2.7407 -2.6694 -2.6694 4.8463 4.8463 8.3483 8.3483 8.3568 8.3568 10.5357 10.5357 10.6984 10.6984 10.7029 10.7029 13.6607 13.6607 13.7162 13.7162 13.7440 13.7440 21.8640 21.8640 21.8749 21.8749 23.0428 23.0428 24.0410 24.0437 k = 0.2229 0.2229 0.2229 ( 1328 PWs) bands (ev): -22.9214 -22.9214 -7.2683 -7.2683 -4.9760 -4.9760 -4.8202 -4.8202 -3.1639 -3.1639 -2.7584 -2.7584 -2.6882 -2.6882 4.7842 4.7842 8.4395 8.4395 8.4475 8.4475 10.4194 10.4194 10.6360 10.6360 10.6415 10.6415 13.6994 13.6994 13.7188 13.7188 13.7458 13.7458 21.9266 21.9266 21.9378 21.9378 23.0842 23.0842 24.1023 24.1038 k = 0.2289 0.2289 0.2289 ( 1322 PWs) bands (ev): -22.9175 -22.9175 -7.2379 -7.2379 -4.9924 -4.9924 -4.8384 -4.8384 -3.1483 -3.1483 -2.7771 -2.7771 -2.7086 -2.7086 4.7217 4.7217 8.5314 8.5314 8.5388 8.5388 10.3063 10.3063 10.5756 10.5756 10.5822 10.5822 13.7211 13.7211 13.7400 13.7400 13.7488 13.7488 21.9891 21.9891 22.0006 22.0006 23.1225 23.1225 24.1587 24.1616 k = 0.2349 0.2349 0.2349 ( 1322 PWs) bands (ev): -22.9136 -22.9136 -7.2058 -7.2058 -5.0080 -5.0080 -4.8556 -4.8556 -3.1353 -3.1353 -2.7968 -2.7968 -2.7305 -2.7305 4.6588 4.6588 8.6236 8.6236 8.6305 8.6305 10.1969 10.1969 10.5175 10.5175 10.5251 10.5251 13.7262 13.7262 13.7531 13.7531 13.7796 13.7796 22.0515 22.0515 22.0632 22.0632 23.1574 23.1574 24.2090 24.2119 k = 0.2410 0.2410 0.2410 ( 1322 PWs) bands (ev): -22.9097 -22.9097 -7.1718 -7.1718 -5.0226 -5.0226 -4.8717 -4.8717 -3.1251 -3.1251 -2.8172 -2.8172 -2.7539 -2.7539 4.5952 4.5952 8.7161 8.7161 8.7224 8.7224 10.0914 10.0914 10.4617 10.4617 10.4703 10.4703 13.7324 13.7324 13.7588 13.7588 13.8198 13.8198 22.1135 22.1135 22.1254 22.1254 23.1886 23.1886 24.2537 24.2561 k = 0.2470 0.2470 0.2470 ( 1319 PWs) bands (ev): -22.9059 -22.9059 -7.1361 -7.1361 -5.0361 -5.0361 -4.8867 -4.8867 -3.1179 -3.1179 -2.8381 -2.8381 -2.7787 -2.7787 4.5310 4.5310 8.8085 8.8085 8.8143 8.8143 9.9902 9.9902 10.4084 10.4084 10.4180 10.4180 13.7400 13.7400 13.7659 13.7659 13.8605 13.8605 22.1751 22.1751 22.1873 22.1873 23.2159 23.2159 24.2930 24.2950 k = 0.2530 0.2530 0.2530 ( 1319 PWs) bands (ev): -22.9020 -22.9020 -7.0986 -7.0986 -5.0487 -5.0487 -4.9007 -4.9007 -3.1140 -3.1140 -2.8594 -2.8594 -2.8050 -2.8050 4.4660 4.4660 8.9004 8.9004 8.9057 8.9057 9.8936 9.8936 10.3577 10.3577 10.3684 10.3684 13.7492 13.7492 13.7746 13.7746 13.9014 13.9014 22.2361 22.2361 22.2485 22.2486 23.2389 23.2389 24.3260 24.3280 k = 0.2590 0.2590 0.2590 ( 1319 PWs) bands (ev): -22.8982 -22.8982 -7.0592 -7.0592 -5.0601 -5.0601 -4.9135 -4.9135 -3.1137 -3.1137 -2.8806 -2.8806 -2.8326 -2.8326 4.4000 4.4000 8.9916 8.9916 8.9964 8.9964 9.8018 9.8018 10.3099 10.3099 10.3217 10.3217 13.7599 13.7599 13.7849 13.7849 13.9426 13.9426 22.2963 22.2963 22.3091 22.3091 23.2576 23.2576 24.3532 24.3536 k = 0.2651 0.2651 0.2651 ( 1325 PWs) bands (ev): -22.8945 -22.8945 -7.0181 -7.0181 -5.0706 -5.0706 -4.9251 -4.9251 -3.1173 -3.1173 -2.9015 -2.9015 -2.8616 -2.8616 4.3329 4.3329 9.0815 9.0815 9.0858 9.0858 9.7151 9.7151 10.2652 10.2652 10.2781 10.2781 13.7723 13.7723 13.7968 13.7968 13.9840 13.9840 22.3556 22.3556 22.3687 22.3687 23.2717 23.2717 24.3746 24.3749 k = 0.2711 0.2711 0.2711 ( 1325 PWs) bands (ev): -22.8908 -22.8908 -6.9752 -6.9752 -5.0798 -5.0798 -4.9355 -4.9355 -3.1250 -3.1250 -2.9218 -2.9218 -2.8918 -2.8918 4.2647 4.2647 9.1696 9.1696 9.1734 9.1734 9.6338 9.6338 10.2242 10.2242 10.2381 10.2381 13.7864 13.7864 13.8105 13.8105 14.0254 14.0254 22.4138 22.4138 22.4272 22.4272 23.2814 23.2814 24.3905 24.3905 k = 0.2771 0.2771 0.2771 ( 1325 PWs) bands (ev): -22.8871 -22.8871 -6.9305 -6.9305 -5.0880 -5.0880 -4.9448 -4.9448 -3.1370 -3.1370 -2.9413 -2.9413 -2.9233 -2.9233 4.1952 4.1952 9.2549 9.2549 9.2584 9.2584 9.5580 9.5580 10.1874 10.1874 10.2023 10.2023 13.8023 13.8023 13.8260 13.8260 14.0670 14.0670 22.4708 22.4708 22.4845 22.4845 23.2865 23.2865 24.4006 24.4006 k = 0.2831 0.2831 0.2831 ( 1325 PWs) bands (ev): -22.8834 -22.8834 -6.8841 -6.8841 -5.0949 -5.0949 -4.9528 -4.9528 -3.1533 -3.1533 -2.9600 -2.9600 -2.9560 -2.9560 4.1243 4.1243 9.3363 9.3363 9.3396 9.3396 9.4879 9.4879 10.1557 10.1557 10.1716 10.1716 13.8200 13.8200 13.8433 13.8433 14.1085 14.1085 22.5264 22.5264 22.5403 22.5403 23.2871 23.2871 24.4054 24.4054 k = 0.2892 0.2892 0.2892 ( 1331 PWs) bands (ev): -22.8799 -22.8799 -6.8360 -6.8360 -5.1008 -5.1008 -4.9596 -4.9596 -3.1736 -3.1736 -2.9898 -2.9898 -2.9782 -2.9782 4.0520 4.0520 9.4092 9.4092 9.4156 9.4156 9.4267 9.4267 10.1307 10.1307 10.1473 10.1473 13.8397 13.8397 13.8626 13.8626 14.1499 14.1499 22.5802 22.5802 22.5944 22.5944 23.2835 23.2835 24.4048 24.4048 k = 0.2952 0.2952 0.2952 ( 1319 PWs) bands (ev): -22.8763 -22.8763 -6.7861 -6.7861 -5.1054 -5.1054 -4.9651 -4.9651 -3.1975 -3.1975 -3.0246 -3.0246 -2.9958 -2.9958 3.9783 3.9783 9.3641 9.3641 9.4818 9.4818 9.4843 9.4843 10.1142 10.1142 10.1313 10.1313 13.8614 13.8614 13.8838 13.8838 14.1913 14.1913 22.6322 22.6322 22.6466 22.6466 23.2760 23.2760 24.3997 24.3997 k = 0.3012 0.3012 0.3012 ( 1319 PWs) bands (ev): -22.8729 -22.8729 -6.7346 -6.7346 -5.1088 -5.1088 -4.9694 -4.9694 -3.2246 -3.2246 -3.0605 -3.0605 -3.0137 -3.0137 3.9032 3.9032 9.3116 9.3116 9.5397 9.5397 9.5431 9.5431 10.1088 10.1088 10.1258 10.1258 13.8850 13.8850 13.9070 13.9070 14.2324 14.2324 22.6819 22.6819 22.6966 22.6966 23.2644 23.2644 24.3902 24.3910 k = 0.3072 0.3072 0.3072 ( 1325 PWs) bands (ev): -22.8695 -22.8695 -6.6815 -6.6815 -5.1110 -5.1110 -4.9724 -4.9724 -3.2543 -3.2543 -3.0973 -3.0973 -3.0322 -3.0322 3.8267 3.8267 9.2648 9.2648 9.5845 9.5845 9.5892 9.5892 10.1172 10.1172 10.1336 10.1336 13.9106 13.9106 13.9323 13.9323 14.2733 14.2733 22.7291 22.7291 22.7442 22.7442 23.2491 23.2491 24.3760 24.3764 k = 0.3133 0.3133 0.3133 ( 1325 PWs) bands (ev): -22.8661 -22.8661 -6.6267 -6.6267 -5.1120 -5.1120 -4.9741 -4.9741 -3.2863 -3.2863 -3.1350 -3.1350 -3.0514 -3.0514 3.7489 3.7489 9.2237 9.2237 9.6141 9.6141 9.6209 9.6209 10.1411 10.1411 10.1560 10.1560 13.9384 13.9384 13.9596 13.9596 14.3139 14.3139 22.7736 22.7736 22.7890 22.7890 23.2307 23.2307 24.3582 24.3597 k = 0.3193 0.3193 0.3193 ( 1337 PWs) bands (ev): -22.8629 -22.8629 -6.5704 -6.5704 -5.1118 -5.1118 -4.9746 -4.9746 -3.3201 -3.3201 -3.1736 -3.1736 -3.0718 -3.0718 3.6699 3.6699 9.1883 9.1883 9.6292 9.6292 9.6384 9.6384 10.1796 10.1796 10.1927 10.1927 13.9681 13.9681 13.9889 13.9889 14.3539 14.3539 22.8149 22.8149 22.8305 22.8305 23.2092 23.2092 24.3373 24.3379 k = 0.3253 0.3253 0.3253 ( 1337 PWs) bands (ev): -22.8597 -22.8597 -6.5125 -6.5125 -5.1104 -5.1104 -4.9738 -4.9738 -3.3555 -3.3555 -3.2130 -3.2130 -3.0936 -3.0936 3.5897 3.5897 9.1584 9.1584 9.6323 9.6323 9.6441 9.6441 10.2299 10.2299 10.2412 10.2412 14.0000 14.0000 14.0204 14.0204 14.3937 14.3937 22.8528 22.8528 22.8687 22.8687 23.1849 23.1849 24.3142 24.3145 k = 0.3313 0.3313 0.3313 ( 1337 PWs) bands (ev): -22.8566 -22.8566 -6.4532 -6.4532 -5.1077 -5.1077 -4.9717 -4.9717 -3.3922 -3.3922 -3.2530 -3.2530 -3.1168 -3.1168 3.5087 3.5087 9.1339 9.1339 9.6269 9.6269 9.6410 9.6410 10.2884 10.2884 10.2980 10.2980 14.0339 14.0339 14.0539 14.0539 14.4329 14.4329 22.8868 22.8868 22.9029 22.9029 23.1583 23.1583 24.2889 24.2893 k = 0.3373 0.3373 0.3373 ( 1337 PWs) bands (ev): -22.8536 -22.8536 -6.3924 -6.3924 -5.1037 -5.1037 -4.9683 -4.9683 -3.4299 -3.4299 -3.2936 -3.2936 -3.1415 -3.1415 3.4269 3.4269 9.1144 9.1144 9.6160 9.6160 9.6321 9.6321 10.3520 10.3520 10.3602 10.3602 14.0697 14.0697 14.0895 14.0895 14.4715 14.4715 22.9166 22.9166 22.9329 22.9329 23.1297 23.1297 24.2622 24.2626 k = 0.3434 0.3434 0.3434 ( 1337 PWs) bands (ev): -22.8507 -22.8507 -6.3303 -6.3303 -5.0985 -5.0985 -4.9636 -4.9636 -3.4686 -3.4686 -3.3348 -3.3348 -3.1679 -3.1679 3.3446 3.3446 9.0998 9.0998 9.6016 9.6016 9.6195 9.6195 10.4182 10.4182 10.4252 10.4252 14.1076 14.1076 14.1269 14.1269 14.5094 14.5094 22.9417 22.9417 22.9580 22.9580 23.0992 23.0992 24.2349 24.2349 k = 0.3494 0.3494 0.3494 ( 1343 PWs) bands (ev): -22.8479 -22.8479 -6.2668 -6.2668 -5.0921 -5.0921 -4.9576 -4.9576 -3.5080 -3.5080 -3.3766 -3.3766 -3.1961 -3.1961 3.2620 3.2620 9.0897 9.0897 9.5853 9.5853 9.6047 9.6047 10.4853 10.4853 10.4914 10.4914 14.1473 14.1473 14.1663 14.1663 14.5467 14.5467 22.9615 22.9615 22.9779 22.9779 23.0673 23.0673 24.2081 24.2114 k = 0.3554 0.3554 0.3554 ( 1343 PWs) bands (ev): -22.8451 -22.8451 -6.2021 -6.2021 -5.0844 -5.0844 -4.9503 -4.9503 -3.5481 -3.5481 -3.4187 -3.4187 -3.2259 -3.2259 3.1794 3.1794 9.0840 9.0840 9.5681 9.5681 9.5888 9.5888 10.5524 10.5524 10.5577 10.5577 14.1887 14.1887 14.2074 14.2074 14.5831 14.5831 22.9758 22.9758 22.9922 22.9922 23.0340 23.0340 24.1820 24.1820 k = 0.3614 0.3614 0.3614 ( 1343 PWs) bands (ev): -22.8425 -22.8425 -6.1363 -6.1363 -5.0755 -5.0755 -4.9417 -4.9417 -3.5888 -3.5888 -3.4613 -3.4613 -3.2574 -3.2574 3.0970 3.0970 9.0821 9.0821 9.5504 9.5504 9.5724 9.5724 10.6185 10.6185 10.6231 10.6231 14.2319 14.2319 14.2502 14.2502 14.6187 14.6187 22.9842 22.9842 22.9996 22.9996 23.0006 23.0006 24.1578 24.1578 k = 0.3675 0.3675 0.3675 ( 1337 PWs) bands (ev): -22.8399 -22.8399 -6.0693 -6.0693 -5.0653 -5.0653 -4.9318 -4.9318 -3.6298 -3.6298 -3.5042 -3.5042 -3.2906 -3.2906 3.0152 3.0152 9.0838 9.0838 9.5329 9.5329 9.5560 9.5560 10.6831 10.6831 10.6872 10.6872 14.2765 14.2765 14.2945 14.2945 14.6534 14.6534 22.9648 22.9648 22.9864 22.9864 23.0024 23.0024 24.1359 24.1359 k = 0.3735 0.3735 0.3735 ( 1337 PWs) bands (ev): -22.8375 -22.8375 -6.0014 -6.0014 -5.0538 -5.0538 -4.9207 -4.9207 -3.6712 -3.6712 -3.5473 -3.5473 -3.3256 -3.3256 2.9342 2.9342 9.0888 9.0888 9.5157 9.5157 9.5398 9.5398 10.7458 10.7458 10.7494 10.7494 14.3224 14.3224 14.3401 14.3401 14.6871 14.6871 22.9294 22.9294 22.9823 22.9823 22.9978 22.9978 24.1167 24.1167 k = 0.3795 0.3795 0.3795 ( 1337 PWs) bands (ev): -22.8351 -22.8351 -5.9325 -5.9325 -5.0412 -5.0412 -4.9082 -4.9082 -3.7129 -3.7129 -3.5906 -3.5906 -3.3622 -3.3622 2.8543 2.8543 9.0966 9.0966 9.4990 9.4990 9.5241 9.5241 10.8063 10.8063 10.8094 10.8094 14.3695 14.3695 14.3869 14.3869 14.7197 14.7197 22.8936 22.8936 22.9719 22.9719 22.9869 22.9869 24.1007 24.1007 k = 0.3855 0.3855 0.3855 ( 1343 PWs) bands (ev): -22.8329 -22.8329 -5.8628 -5.8628 -5.0273 -5.0273 -4.8946 -4.8946 -3.7547 -3.7547 -3.6341 -3.6341 -3.4007 -3.4007 2.7759 2.7759 9.1069 9.1069 9.4830 9.4830 9.5089 9.5089 10.8642 10.8642 10.8669 10.8669 14.4174 14.4174 14.4345 14.4345 14.7513 14.7513 22.8579 22.8579 22.9554 22.9554 22.9698 22.9698 24.0879 24.0879 k = 0.3916 0.3916 0.3916 ( 1343 PWs) bands (ev): -22.8307 -22.8307 -5.7924 -5.7924 -5.0121 -5.0121 -4.8796 -4.8796 -3.7966 -3.7966 -3.6776 -3.6776 -3.4408 -3.4408 2.6992 2.6992 9.1193 9.1193 9.4678 9.4678 9.4944 9.4944 10.9195 10.9195 10.9219 10.9219 14.4659 14.4659 14.4828 14.4828 14.7816 14.7816 22.8223 22.8223 22.9335 22.9335 22.9471 22.9471 24.0783 24.0783 k = 0.3976 0.3976 0.3976 ( 1349 PWs) bands (ev): -22.8287 -22.8287 -5.7214 -5.7214 -4.9958 -4.9958 -4.8634 -4.8634 -3.8385 -3.8385 -3.7211 -3.7211 -3.4825 -3.4825 2.6246 2.6246 9.1334 9.1334 9.4534 9.4534 9.4807 9.4807 10.9720 10.9720 10.9741 10.9741 14.5147 14.5147 14.5313 14.5313 14.8107 14.8107 22.7871 22.7871 22.9065 22.9065 22.9195 22.9195 24.0716 24.0717 k = 0.4036 0.4036 0.4036 ( 1343 PWs) bands (ev): -22.8268 -22.8268 -5.6499 -5.6499 -4.9781 -4.9781 -4.8460 -4.8460 -3.8802 -3.8802 -3.7646 -3.7646 -3.5259 -3.5259 2.5523 2.5523 9.1490 9.1490 9.4398 9.4398 9.4677 9.4677 11.0217 11.0217 11.0235 11.0235 14.5636 14.5636 14.5800 14.5800 14.8385 14.8385 22.7527 22.7527 22.8754 22.8754 22.8876 22.8876 24.0677 24.0682 k = 0.4096 0.4096 0.4096 ( 1343 PWs) bands (ev): -22.8250 -22.8250 -5.5781 -5.5781 -4.9592 -4.9592 -4.8273 -4.8273 -3.9218 -3.9218 -3.8079 -3.8079 -3.5710 -3.5710 2.4827 2.4827 9.1656 9.1656 9.4272 9.4272 9.4555 9.4555 11.0684 11.0684 11.0699 11.0699 14.6121 14.6121 14.6283 14.6283 14.8649 14.8649 22.7189 22.7189 22.8410 22.8410 22.8524 22.8524 24.0663 24.0675 k = 0.4157 0.4157 0.4157 ( 1343 PWs) bands (ev): -22.8233 -22.8233 -5.5062 -5.5062 -4.9391 -4.9391 -4.8074 -4.8074 -3.9630 -3.9630 -3.8511 -3.8511 -3.6176 -3.6176 2.4160 2.4160 9.1828 9.1828 9.4154 9.4154 9.4441 9.4441 11.1121 11.1121 11.1134 11.1134 14.6600 14.6600 14.6759 14.6759 14.8899 14.8899 22.6862 22.6862 22.8040 22.8040 22.8147 22.8147 24.0662 24.0675 k = 0.4217 0.4217 0.4217 ( 1349 PWs) bands (ev): -22.8217 -22.8217 -5.4342 -5.4342 -4.9177 -4.9177 -4.7864 -4.7864 -4.0039 -4.0039 -3.8940 -3.8940 -3.6660 -3.6660 2.3526 2.3526 9.2003 9.2003 9.4046 9.4046 9.4336 9.4336 11.1527 11.1527 11.1539 11.1539 14.7068 14.7068 14.7226 14.7226 14.9135 14.9135 22.6546 22.6546 22.7654 22.7654 22.7755 22.7755 24.0681 24.0696 k = 0.4277 0.4277 0.4277 ( 1352 PWs) bands (ev): -22.8202 -22.8202 -5.3626 -5.3626 -4.8950 -4.8950 -4.7641 -4.7641 -4.0443 -4.0443 -3.9367 -3.9367 -3.7160 -3.7160 2.2926 2.2926 9.2178 9.2178 9.3948 9.3948 9.4239 9.4239 11.1903 11.1903 11.1912 11.1912 14.7522 14.7522 14.7678 14.7678 14.9356 14.9356 22.6244 22.6244 22.7261 22.7261 22.7355 22.7355 24.0704 24.0717 k = 0.4337 0.4337 0.4337 ( 1352 PWs) bands (ev): -22.8189 -22.8189 -5.2914 -5.2914 -4.8709 -4.8709 -4.7407 -4.7407 -4.0841 -4.0841 -3.9790 -3.9790 -3.7674 -3.7674 2.2365 2.2365 9.2349 9.2349 9.3860 9.3860 9.4149 9.4149 11.2248 11.2248 11.2256 11.2256 14.7958 14.7958 14.8113 14.8113 14.9561 14.9561 22.5960 22.5960 22.6868 22.6868 22.6957 22.6957 24.0736 24.0745 k = 0.4398 0.4398 0.4398 ( 1352 PWs) bands (ev): -22.8176 -22.8176 -5.2211 -5.2211 -4.8453 -4.8453 -4.7161 -4.7161 -4.1231 -4.1231 -4.0209 -4.0209 -3.8203 -3.8203 2.1843 2.1843 9.2513 9.2513 9.3782 9.3782 9.4068 9.4068 11.2563 11.2563 11.2569 11.2569 14.8372 14.8372 14.8526 14.8526 14.9750 14.9750 22.5693 22.5693 22.6483 22.6483 22.6567 22.6567 24.0774 24.0783 k = 0.4458 0.4458 0.4458 ( 1352 PWs) bands (ev): -22.8165 -22.8165 -5.1521 -5.1521 -4.8179 -4.8179 -4.6905 -4.6905 -4.1612 -4.1612 -4.0624 -4.0624 -3.8747 -3.8747 2.1363 2.1363 9.2667 9.2667 9.3716 9.3716 9.3995 9.3995 11.2847 11.2847 11.2852 11.2852 14.8760 14.8760 14.8914 14.8914 14.9923 14.9923 22.5445 22.5445 22.6113 22.6113 22.6193 22.6193 24.0816 24.0821 k = 0.4518 0.4518 0.4518 ( 1352 PWs) bands (ev): -22.8155 -22.8155 -5.0851 -5.0851 -4.7886 -4.7886 -4.6637 -4.6637 -4.1982 -4.1982 -4.1034 -4.1034 -3.9304 -3.9304 2.0928 2.0928 9.2805 9.2805 9.3663 9.3663 9.3930 9.3930 11.3101 11.3101 11.3105 11.3105 14.9119 14.9119 14.9273 14.9273 15.0079 15.0079 22.5219 22.5219 22.5764 22.5764 22.5840 22.5840 24.0852 24.0860 k = 0.4578 0.4578 0.4578 ( 1346 PWs) bands (ev): -22.8146 -22.8146 -5.0211 -5.0211 -4.7565 -4.7565 -4.6358 -4.6358 -4.2338 -4.2338 -4.1438 -4.1438 -3.9875 -3.9875 2.0540 2.0540 9.2923 9.2923 9.3625 9.3625 9.3873 9.3873 11.3324 11.3324 11.3327 11.3327 14.9444 14.9444 14.9599 14.9599 15.0219 15.0219 22.5015 22.5015 22.5443 22.5443 22.5517 22.5517 24.0888 24.0892 k = 0.4639 0.4639 0.4639 ( 1346 PWs) bands (ev): -22.8138 -22.8138 -4.9612 -4.9612 -4.7213 -4.7213 -4.6070 -4.6070 -4.2676 -4.2676 -4.1835 -4.1835 -4.0458 -4.0458 2.0199 2.0199 9.3018 9.3018 9.3605 9.3605 9.3824 9.3824 11.3517 11.3517 11.3519 11.3519 14.9732 14.9732 14.9889 14.9889 15.0342 15.0342 22.4835 22.4835 22.5153 22.5153 22.5225 22.5225 24.0920 24.0921 k = 0.4699 0.4699 0.4699 ( 1343 PWs) bands (ev): -22.8131 -22.8131 -4.9072 -4.9072 -4.6818 -4.6818 -4.5773 -4.5773 -4.2990 -4.2990 -4.2226 -4.2226 -4.1052 -4.1052 1.9908 1.9908 9.3086 9.3086 9.3603 9.3603 9.3782 9.3782 11.3681 11.3681 11.3682 11.3682 14.9979 14.9979 15.0140 15.0140 15.0449 15.0449 22.4680 22.4680 22.4901 22.4901 22.4972 22.4972 24.0950 24.0950 k = 0.4759 0.4759 0.4759 ( 1343 PWs) bands (ev): -22.8126 -22.8126 -4.8608 -4.8608 -4.6373 -4.6373 -4.5467 -4.5467 -4.3275 -4.3275 -4.2608 -4.2608 -4.1655 -4.1655 1.9669 1.9669 9.3128 9.3128 9.3618 9.3618 9.3748 9.3748 11.3814 11.3814 11.3815 11.3815 15.0181 15.0181 15.0350 15.0350 15.0540 15.0540 22.4550 22.4550 22.4689 22.4689 22.4760 22.4760 24.0975 24.0976 k = 0.4819 0.4819 0.4819 ( 1343 PWs) bands (ev): -22.8122 -22.8122 -4.8233 -4.8233 -4.5876 -4.5876 -4.5154 -4.5154 -4.3520 -4.3520 -4.2981 -4.2981 -4.2264 -4.2264 1.9481 1.9481 9.3150 9.3150 9.3641 9.3641 9.3722 9.3722 11.3917 11.3917 11.3918 11.3918 15.0336 15.0336 15.0515 15.0515 15.0617 15.0617 22.4446 22.4446 22.4520 22.4520 22.4595 22.4595 24.0995 24.0997 k = 0.4880 0.4880 0.4880 ( 1334 PWs) bands (ev): -22.8118 -22.8118 -4.7957 -4.7957 -4.5337 -4.5337 -4.4838 -4.4838 -4.3711 -4.3711 -4.3339 -4.3339 -4.2873 -4.2873 1.9346 1.9346 9.3159 9.3159 9.3665 9.3665 9.3703 9.3703 11.3992 11.3992 11.3992 11.3992 15.0443 15.0443 15.0635 15.0635 15.0677 15.0677 22.4368 22.4368 22.4399 22.4399 22.4479 22.4479 24.1011 24.1011 k = 0.4940 0.4940 0.4940 ( 1328 PWs) bands (ev): -22.8117 -22.8117 -4.7788 -4.7788 -4.4776 -4.4776 -4.4536 -4.4536 -4.3836 -4.3836 -4.3665 -4.3665 -4.3470 -4.3470 1.9265 1.9265 9.3163 9.3163 9.3682 9.3682 9.3692 9.3692 11.4036 11.4036 11.4036 11.4036 15.0504 15.0504 15.0707 15.0707 15.0717 15.0717 22.4318 22.4318 22.4325 22.4325 22.4411 22.4411 24.1020 24.1020 k = 0.5000 0.5000 0.5000 ( 1328 PWs) bands (ev): -22.8116 -22.8116 -4.7731 -4.7731 -4.4361 -4.4361 -4.4361 -4.4361 -4.3926 -4.3926 -4.3849 -4.3849 -4.3849 -4.3849 1.9238 1.9238 9.3163 9.3163 9.3688 9.3688 9.3688 9.3688 11.4051 11.4051 11.4051 11.4051 15.0523 15.0523 15.0731 15.0731 15.0731 15.0731 22.4300 22.4300 22.4300 22.4300 22.4390 22.4390 24.1023 24.1023 k = 0.5000 0.5000 0.5000 ( 1328 PWs) bands (ev): -22.8116 -22.8116 -4.7731 -4.7731 -4.4361 -4.4361 -4.4361 -4.4361 -4.3926 -4.3926 -4.3849 -4.3849 -4.3849 -4.3849 1.9238 1.9238 9.3163 9.3163 9.3688 9.3688 9.3688 9.3688 11.4051 11.4051 11.4051 11.4051 15.0523 15.0523 15.0731 15.0731 15.0731 15.0731 22.4300 22.4300 22.4300 22.4300 22.4390 22.4390 24.1023 24.1023 k = 0.4926 0.5000 0.4926 ( 1328 PWs) bands (ev): -22.8116 -22.8116 -4.7787 -4.7787 -4.4779 -4.4779 -4.4523 -4.4523 -4.3869 -4.3869 -4.3630 -4.3630 -4.3482 -4.3482 1.9265 1.9265 9.3163 9.3163 9.3681 9.3681 9.3693 9.3693 11.4029 11.4029 11.4044 11.4044 15.0504 15.0504 15.0706 15.0706 15.0718 15.0718 22.4317 22.4317 22.4325 22.4325 22.4411 22.4411 24.1015 24.1015 k = 0.4853 0.5000 0.4853 ( 1334 PWs) bands (ev): -22.8118 -22.8118 -4.7955 -4.7955 -4.5366 -4.5366 -4.4757 -4.4757 -4.3846 -4.3846 -4.3230 -4.3230 -4.2903 -4.2903 1.9346 1.9346 9.3159 9.3159 9.3662 9.3662 9.3707 9.3707 11.3964 11.3964 11.4021 11.4021 15.0442 15.0442 15.0632 15.0632 15.0682 15.0682 22.4366 22.4366 22.4399 22.4399 22.4478 22.4478 24.0990 24.0990 k = 0.4779 0.5000 0.4779 ( 1338 PWs) bands (ev): -22.8121 -22.8121 -4.8222 -4.8222 -4.5967 -4.5967 -4.4943 -4.4943 -4.3808 -4.3808 -4.2777 -4.2777 -4.2309 -4.2309 1.9479 1.9479 9.3146 9.3146 9.3635 9.3635 9.3731 9.3731 11.3855 11.3855 11.3983 11.3983 15.0330 15.0330 15.0511 15.0511 15.0630 15.0630 22.4442 22.4442 22.4521 22.4521 22.4595 22.4595 24.0950 24.0950 k = 0.4706 0.5000 0.4706 ( 1342 PWs) bands (ev): -22.8126 -22.8126 -4.8572 -4.8572 -4.6570 -4.6570 -4.5073 -4.5073 -4.3757 -4.3757 -4.2302 -4.2302 -4.1713 -4.1713 1.9666 1.9666 9.3118 9.3118 9.3609 9.3609 9.3767 9.3767 11.3703 11.3703 11.3930 11.3930 15.0164 15.0164 15.0346 15.0346 15.0566 15.0566 22.4544 22.4544 22.4689 22.4689 22.4761 22.4761 24.0893 24.0893 k = 0.4632 0.5000 0.4632 ( 1342 PWs) bands (ev): -22.8131 -22.8131 -4.8986 -4.8986 -4.7172 -4.7172 -4.5156 -4.5156 -4.3690 -4.3690 -4.1815 -4.1815 -4.1114 -4.1114 1.9904 1.9904 9.3063 9.3063 9.3593 9.3593 9.3815 9.3815 11.3507 11.3507 11.3862 11.3862 14.9943 14.9943 15.0141 15.0141 15.0490 15.0490 22.4671 22.4671 22.4902 22.4902 22.4975 22.4975 24.0821 24.0821 k = 0.4559 0.5000 0.4559 ( 1344 PWs) bands (ev): -22.8138 -22.8138 -4.9450 -4.9450 -4.7767 -4.7767 -4.5201 -4.5201 -4.3609 -4.3609 -4.1326 -4.1326 -4.0513 -4.0513 2.0194 2.0194 9.2976 9.2976 9.3594 9.3594 9.3876 9.3876 11.3268 11.3268 11.3780 11.3780 14.9670 14.9670 14.9898 14.9898 15.0401 15.0401 22.4824 22.4824 22.5157 22.5157 22.5230 22.5230 24.0733 24.0733 k = 0.4485 0.5000 0.4485 ( 1344 PWs) bands (ev): -22.8145 -22.8145 -4.9952 -4.9952 -4.8352 -4.8352 -4.5220 -4.5220 -4.3513 -4.3513 -4.0839 -4.0839 -3.9911 -3.9911 2.0533 2.0533 9.2857 9.2857 9.3610 9.3610 9.3952 9.3952 11.2985 11.2985 11.3683 11.3683 14.9349 14.9349 14.9619 14.9619 15.0298 15.0298 22.5004 22.5004 22.5450 22.5450 22.5525 22.5525 24.0629 24.0629 k = 0.4412 0.5000 0.4412 ( 1348 PWs) bands (ev): -22.8154 -22.8154 -5.0487 -5.0487 -4.8922 -4.8922 -4.5218 -4.5218 -4.3403 -4.3403 -4.0359 -4.0359 -3.9308 -3.9308 2.0920 2.0920 9.2710 9.2710 9.3639 9.3639 9.4044 9.4044 11.2659 11.2659 11.3571 11.3571 14.8985 14.8985 14.9305 14.9305 15.0180 15.0180 22.5208 22.5208 22.5778 22.5778 22.5853 22.5853 24.0510 24.0510 k = 0.4338 0.5000 0.4338 ( 1348 PWs) bands (ev): -22.8164 -22.8164 -5.1050 -5.1050 -4.9473 -4.9473 -4.5199 -4.5199 -4.3279 -4.3279 -3.9887 -3.9887 -3.8704 -3.8704 2.1355 2.1355 9.2540 9.2540 9.3679 9.3679 9.4151 9.4151 11.2288 11.2288 11.3446 11.3446 14.8582 14.8582 14.8958 14.8958 15.0047 15.0047 22.5438 22.5438 22.6137 22.6137 22.6213 22.6213 24.0374 24.0375 k = 0.4265 0.5000 0.4265 ( 1348 PWs) bands (ev): -22.8175 -22.8175 -5.1639 -5.1639 -5.0001 -5.0001 -4.5167 -4.5167 -4.3140 -4.3140 -3.9424 -3.9424 -3.8102 -3.8102 2.1835 2.1835 9.2351 9.2351 9.3725 9.3725 9.4275 9.4275 11.1873 11.1873 11.3307 11.3307 14.8146 14.8146 14.8579 14.8579 14.9898 14.9898 22.5691 22.5691 22.6520 22.6520 22.6602 22.6602 24.0224 24.0224 k = 0.4191 0.5000 0.4191 ( 1348 PWs) bands (ev): -22.8187 -22.8187 -5.2251 -5.2251 -5.0505 -5.0505 -4.5125 -4.5125 -4.2987 -4.2987 -3.8973 -3.8973 -3.7502 -3.7502 2.2358 2.2358 9.2146 9.2146 9.3778 9.3778 9.4414 9.4414 11.1415 11.1415 11.3155 11.3155 14.7679 14.7679 14.8172 14.8172 14.9732 14.9732 22.5969 22.5969 22.6917 22.6917 22.7019 22.7019 24.0058 24.0058 k = 0.4118 0.5000 0.4118 ( 1348 PWs) bands (ev): -22.8201 -22.8201 -5.2883 -5.2883 -5.0983 -5.0983 -4.5074 -4.5074 -4.2820 -4.2820 -3.8532 -3.8532 -3.6906 -3.6906 2.2922 2.2922 9.1928 9.1928 9.3838 9.3838 9.4570 9.4570 11.0913 11.0913 11.2990 11.2990 14.7187 14.7187 14.7738 14.7738 14.9551 14.9551 22.6269 22.6269 22.7319 22.7319 22.7465 22.7465 23.9877 23.9877 k = 0.4044 0.5000 0.4044 ( 1348 PWs) bands (ev): -22.8215 -22.8215 -5.3531 -5.3531 -5.1436 -5.1436 -4.5014 -4.5014 -4.2639 -4.2639 -3.8102 -3.8102 -3.6316 -3.6316 2.3527 2.3527 9.1700 9.1700 9.3903 9.3903 9.4741 9.4741 11.0367 11.0367 11.2813 11.2813 14.6674 14.6674 14.7279 14.7279 14.9353 14.9353 22.6590 22.6590 22.7720 22.7720 22.7935 22.7935 23.9682 23.9682 k = 0.3971 0.5000 0.3971 ( 1344 PWs) bands (ev): -22.8230 -22.8230 -5.4193 -5.4193 -5.1864 -5.1864 -4.4948 -4.4948 -4.2445 -4.2445 -3.7683 -3.7683 -3.5732 -3.5732 2.4168 2.4168 9.1466 9.1466 9.3974 9.3974 9.4927 9.4927 10.9779 10.9779 11.2624 11.2624 14.6144 14.6144 14.6798 14.6798 14.9137 14.9137 22.6932 22.6932 22.8114 22.8114 22.8426 22.8426 23.9472 23.9472 k = 0.3897 0.5000 0.3897 ( 1336 PWs) bands (ev): -22.8246 -22.8246 -5.4865 -5.4865 -5.2269 -5.2269 -4.4874 -4.4874 -4.2237 -4.2237 -3.7275 -3.7275 -3.5159 -3.5159 2.4845 2.4845 9.1228 9.1228 9.4051 9.4051 9.5127 9.5127 10.9148 10.9148 11.2425 11.2425 14.5601 14.5601 14.6298 14.6298 14.8905 14.8905 22.7295 22.7295 22.8497 22.8497 22.8935 22.8935 23.9250 23.9250 k = 0.3824 0.5000 0.3824 ( 1336 PWs) bands (ev): -22.8264 -22.8264 -5.5544 -5.5544 -5.2651 -5.2651 -4.4795 -4.4795 -4.2015 -4.2015 -3.6876 -3.6876 -3.4597 -3.4597 2.5555 2.5555 9.0989 9.0989 9.4134 9.4134 9.5341 9.5341 10.8476 10.8476 11.2215 11.2215 14.5048 14.5048 14.5779 14.5779 14.8654 14.8654 22.7675 22.7675 22.8861 22.8861 22.9458 22.9458 23.9014 23.9014 k = 0.3750 0.5000 0.3750 ( 1326 PWs) bands (ev): -22.8282 -22.8282 -5.6229 -5.6229 -5.3010 -5.3010 -4.4710 -4.4710 -4.1781 -4.1781 -3.6487 -3.6487 -3.4047 -3.4047 2.6296 2.6296 9.0752 9.0752 9.4225 9.4225 9.5568 9.5568 10.7762 10.7762 11.1998 11.1998 14.4490 14.4490 14.5246 14.5246 14.8386 14.8386 22.8073 22.8073 22.9203 22.9203 22.9993 22.9993 23.8767 23.8767 k = 0.3676 0.5000 0.3676 ( 1334 PWs) bands (ev): -22.8301 -22.8301 -5.6917 -5.6917 -5.3349 -5.3349 -4.4621 -4.4621 -4.1534 -4.1534 -3.6108 -3.6108 -3.3513 -3.3513 2.7066 2.7066 9.0519 9.0519 9.4322 9.4322 9.5807 9.5807 10.7008 10.7008 11.1773 11.1773 14.3928 14.3928 14.4697 14.4697 14.8100 14.8100 22.8485 22.8485 22.9518 22.9518 23.0537 23.0537 23.8506 23.8506 k = 0.3603 0.5000 0.3603 ( 1334 PWs) bands (ev): -22.8321 -22.8321 -5.7607 -5.7607 -5.3664 -5.3664 -4.4526 -4.4526 -4.1274 -4.1274 -3.5738 -3.5738 -3.2996 -3.2996 2.7862 2.7862 9.0294 9.0294 9.4426 9.4426 9.6057 9.6057 10.6216 10.6216 11.1542 11.1542 14.3365 14.3365 14.4137 14.4137 14.7795 14.7795 22.8913 22.8913 22.9801 22.9801 23.1087 23.1087 23.8236 23.8236 k = 0.3529 0.5000 0.3529 ( 1334 PWs) bands (ev): -22.8342 -22.8342 -5.8297 -5.8297 -5.3958 -5.3958 -4.4427 -4.4427 -4.1002 -4.1002 -3.5377 -3.5377 -3.2498 -3.2498 2.8682 2.8682 9.0079 9.0079 9.4538 9.4538 9.6317 9.6317 10.5387 10.5387 11.1308 11.1308 14.2805 14.2805 14.3568 14.3568 14.7471 14.7471 22.9352 22.9352 23.0051 23.0051 23.1642 23.1642 23.7956 23.7956 k = 0.3456 0.5000 0.3456 ( 1334 PWs) bands (ev): -22.8364 -22.8364 -5.8985 -5.8985 -5.4229 -5.4229 -4.4324 -4.4324 -4.0719 -4.0719 -3.5023 -3.5023 -3.2019 -3.2019 2.9524 2.9524 8.9878 8.9878 9.4658 9.4658 9.6583 9.6583 10.4522 10.4522 11.1073 11.1073 14.2250 14.2250 14.2990 14.2990 14.7129 14.7129 22.9805 22.9805 23.0267 23.0267 23.2200 23.2200 23.7668 23.7668 k = 0.3382 0.5000 0.3382 ( 1334 PWs) bands (ev): -22.8387 -22.8387 -5.9671 -5.9671 -5.4478 -5.4478 -4.4216 -4.4216 -4.0423 -4.0423 -3.4678 -3.4678 -3.1563 -3.1563 3.0386 3.0386 8.9693 8.9693 9.4787 9.4787 9.6855 9.6855 10.3623 10.3623 11.0840 11.0840 14.1701 14.1701 14.2405 14.2405 14.6767 14.6767 23.0267 23.0267 23.0447 23.0447 23.2760 23.2760 23.7371 23.7371 k = 0.3309 0.5000 0.3309 ( 1338 PWs) bands (ev): -22.8410 -22.8410 -6.0353 -6.0353 -5.4705 -5.4705 -4.4106 -4.4106 -4.0116 -4.0116 -3.4340 -3.4340 -3.1131 -3.1131 3.1266 3.1266 8.9527 8.9527 9.4923 9.4923 9.7128 9.7128 10.2693 10.2693 11.0612 11.0612 14.1160 14.1160 14.1815 14.1815 14.6385 14.6385 23.0592 23.0592 23.0739 23.0739 23.3319 23.3319 23.7067 23.7067 k = 0.3235 0.5000 0.3235 ( 1330 PWs) bands (ev): -22.8434 -22.8434 -6.1030 -6.1030 -5.4910 -5.4910 -4.3991 -4.3991 -3.9798 -3.9798 -3.4008 -3.4008 -3.0724 -3.0724 3.2161 3.2161 8.9384 8.9384 9.5069 9.5069 9.7398 9.7398 10.1733 10.1733 11.0395 11.0395 14.0628 14.0628 14.1221 14.1221 14.5984 14.5984 23.0704 23.0704 23.1219 23.1219 23.3877 23.3877 23.6760 23.6760 k = 0.3162 0.5000 0.3162 ( 1330 PWs) bands (ev): -22.8458 -22.8458 -6.1702 -6.1702 -5.5092 -5.5092 -4.3874 -4.3874 -3.9470 -3.9470 -3.3685 -3.3685 -3.0344 -3.0344 3.3070 3.3070 8.9264 8.9264 9.5224 9.5224 9.7661 9.7661 10.0746 10.0746 11.0192 11.0192 14.0107 14.0107 14.0624 14.0624 14.5564 14.5564 23.0782 23.0782 23.1705 23.1705 23.4433 23.4433 23.6449 23.6449 k = 0.3088 0.5000 0.3088 ( 1330 PWs) bands (ev): -22.8483 -22.8483 -6.2367 -6.2367 -5.5252 -5.5252 -4.3754 -4.3754 -3.9131 -3.9131 -3.3368 -3.3368 -2.9992 -2.9992 3.3991 3.3991 8.9172 8.9172 9.5388 9.5388 9.7911 9.7911 9.9734 9.9734 11.0012 11.0012 13.9596 13.9596 14.0026 14.0026 14.5123 14.5123 23.0830 23.0830 23.2195 23.2195 23.4984 23.4984 23.6135 23.6135 k = 0.3015 0.5000 0.3015 ( 1338 PWs) bands (ev): -22.8509 -22.8509 -6.3025 -6.3025 -5.5389 -5.5389 -4.3632 -4.3632 -3.8783 -3.8783 -3.3058 -3.3058 -2.9670 -2.9670 3.4921 3.4921 8.9108 8.9108 9.5563 9.5563 9.8135 9.8135 9.8705 9.8705 10.9859 10.9859 13.9095 13.9095 13.9429 13.9429 14.4663 14.4663 23.0849 23.0849 23.2688 23.2688 23.5530 23.5530 23.5820 23.5820 k = 0.2941 0.5000 0.2941 ( 1332 PWs) bands (ev): -22.8535 -22.8535 -6.3675 -6.3675 -5.5504 -5.5504 -4.3507 -4.3507 -3.8426 -3.8426 -3.2755 -3.2755 -2.9378 -2.9378 3.5859 3.5859 8.9076 8.9076 9.5747 9.5747 9.7633 9.7633 9.8354 9.8354 10.9744 10.9744 13.8601 13.8601 13.8837 13.8837 14.4183 14.4183 23.0843 23.0843 23.3185 23.3185 23.5501 23.5501 23.6076 23.6076 k = 0.2868 0.5000 0.2868 ( 1328 PWs) bands (ev): -22.8562 -22.8562 -6.4316 -6.4316 -5.5596 -5.5596 -4.3380 -4.3380 -3.8060 -3.8060 -3.2458 -3.2458 -2.9118 -2.9118 3.6804 3.6804 8.9077 8.9077 9.5940 9.5940 9.6567 9.6567 9.8516 9.8516 10.9673 10.9673 13.8101 13.8101 13.8265 13.8265 14.3683 14.3683 23.0814 23.0814 23.3683 23.3683 23.5189 23.5189 23.6611 23.6611 k = 0.2794 0.5000 0.2794 ( 1332 PWs) bands (ev): -22.8589 -22.8589 -6.4947 -6.4947 -5.5665 -5.5665 -4.3252 -4.3252 -3.7685 -3.7685 -3.2169 -3.2169 -2.8891 -2.8891 3.7753 3.7753 8.9114 8.9114 9.5471 9.5471 9.6154 9.6154 9.8637 9.8637 10.9657 10.9657 13.7561 13.7561 13.7747 13.7747 14.3163 14.3163 23.0762 23.0762 23.4179 23.4179 23.4879 23.4879 23.7140 23.7140 k = 0.2721 0.5000 0.2721 ( 1332 PWs) bands (ev): -22.8617 -22.8617 -6.5568 -6.5568 -5.5712 -5.5712 -4.3122 -4.3122 -3.7303 -3.7303 -3.1886 -3.1886 -2.8697 -2.8697 3.8705 3.8705 8.9187 8.9187 9.4373 9.4373 9.6369 9.6369 9.8705 9.8705 10.9703 10.9703 13.6982 13.6982 13.7283 13.7283 14.2624 14.2624 23.0691 23.0691 23.4557 23.4557 23.4690 23.4690 23.7662 23.7662 k = 0.2647 0.5000 0.2647 ( 1328 PWs) bands (ev): -22.8644 -22.8644 -6.6179 -6.6179 -5.5735 -5.5735 -4.2992 -4.2992 -3.6914 -3.6914 -3.1611 -3.1611 -2.8535 -2.8535 3.9659 3.9659 8.9298 8.9298 9.3262 9.3262 9.6598 9.6598 9.8714 9.8714 10.9818 10.9818 13.6392 13.6392 13.6846 13.6846 14.2065 14.2065 23.0604 23.0604 23.4265 23.4265 23.5174 23.5174 23.8176 23.8176 k = 0.2574 0.5000 0.2574 ( 1332 PWs) bands (ev): -22.8672 -22.8672 -6.6778 -6.6778 -5.5737 -5.5737 -4.2860 -4.2860 -3.6518 -3.6518 -3.1344 -3.1344 -2.8408 -2.8408 4.0613 4.0613 8.9449 8.9449 9.2144 9.2144 9.6839 9.6839 9.8658 9.8658 11.0006 11.0006 13.5799 13.5799 13.6426 13.6426 14.1488 14.1488 23.0502 23.0502 23.3969 23.3969 23.5665 23.5665 23.8681 23.8681 k = 0.2500 0.5000 0.2500 ( 1332 PWs) bands (ev): -22.8700 -22.8700 -6.7366 -6.7366 -5.5716 -5.5716 -4.2728 -4.2728 -3.6117 -3.6117 -3.1087 -3.1087 -2.8313 -2.8313 4.1566 4.1566 8.9639 8.9639 9.1021 9.1021 9.7092 9.7092 9.8537 9.8537 11.0268 11.0268 13.5208 13.5208 13.6021 13.6021 14.0891 14.0891 23.0387 23.0387 23.3680 23.3680 23.6153 23.6153 23.9178 23.9178 k = 0.2426 0.5000 0.2426 ( 1332 PWs) bands (ev): -22.8729 -22.8729 -6.7941 -6.7941 -5.5672 -5.5672 -4.2596 -4.2596 -3.5710 -3.5710 -3.0840 -3.0840 -2.8250 -2.8250 4.2517 4.2517 8.9861 8.9861 8.9904 8.9904 9.7358 9.7358 9.8350 9.8350 11.0604 11.0604 13.4618 13.4618 13.5631 13.5631 14.0277 14.0277 23.0260 23.0260 23.3399 23.3399 23.6638 23.6638 23.9666 23.9666 k = 0.2353 0.5000 0.2353 ( 1328 PWs) bands (ev): -22.8757 -22.8757 -6.8503 -6.8503 -5.5606 -5.5606 -4.2464 -4.2464 -3.5299 -3.5299 -3.0605 -3.0605 -2.8216 -2.8216 4.3465 4.3465 8.8769 8.8769 9.0144 9.0144 9.7637 9.7637 9.8101 9.8101 11.1011 11.1011 13.4031 13.4031 13.5254 13.5254 13.9644 13.9644 23.0124 23.0124 23.3129 23.3129 23.7118 23.7118 24.0145 24.0145 k = 0.2279 0.5000 0.2279 ( 1328 PWs) bands (ev): -22.8785 -22.8785 -6.9052 -6.9052 -5.5518 -5.5518 -4.2332 -4.2332 -3.4884 -3.4884 -3.0386 -3.0386 -2.8208 -2.8208 4.4408 4.4408 8.7647 8.7647 9.0457 9.0457 9.7793 9.7793 9.7929 9.7929 11.1482 11.1482 13.3446 13.3446 13.4891 13.4891 13.8995 13.8995 22.9979 22.9979 23.2868 23.2868 23.7594 23.7594 24.0613 24.0613 k = 0.2206 0.5000 0.2206 ( 1332 PWs) bands (ev): -22.8813 -22.8813 -6.9587 -6.9587 -5.5408 -5.5408 -4.2202 -4.2202 -3.4466 -3.4466 -3.0188 -3.0188 -2.8222 -2.8222 4.5347 4.5347 8.6529 8.6529 9.0812 9.0812 9.7434 9.7434 9.8234 9.8234 11.2012 11.2012 13.2864 13.2864 13.4541 13.4541 13.8329 13.8329 22.9828 22.9828 23.2616 23.2616 23.8064 23.8064 24.1071 24.1071 k = 0.2132 0.5000 0.2132 ( 1332 PWs) bands (ev): -22.8841 -22.8841 -7.0108 -7.0108 -5.5276 -5.5276 -4.2072 -4.2072 -3.4047 -3.4047 -3.0020 -3.0020 -2.8247 -2.8247 4.6279 4.6279 8.5419 8.5419 9.1207 9.1207 9.7027 9.7027 9.8553 9.8553 11.2594 11.2594 13.2285 13.2285 13.4203 13.4203 13.7646 13.7646 22.9670 22.9670 23.2377 23.2377 23.8530 23.8530 24.1518 24.1518 k = 0.2059 0.5000 0.2059 ( 1332 PWs) bands (ev): -22.8869 -22.8869 -7.0614 -7.0614 -5.5123 -5.5123 -4.1944 -4.1944 -3.3626 -3.3626 -2.9894 -2.9894 -2.8271 -2.8271 4.7205 4.7205 8.4319 8.4319 9.1643 9.1643 9.6578 9.6578 9.8886 9.8886 11.3222 11.3222 13.1708 13.1708 13.3879 13.3879 13.6949 13.6949 22.9508 22.9508 23.2149 23.2149 23.8991 23.8991 24.1952 24.1952 k = 0.1985 0.5000 0.1985 ( 1324 PWs) bands (ev): -22.8896 -22.8896 -7.1106 -7.1106 -5.4947 -5.4947 -4.1817 -4.1817 -3.3205 -3.3205 -2.9827 -2.9827 -2.8276 -2.8276 4.8124 4.8124 8.3232 8.3232 9.2117 9.2117 9.6093 9.6093 9.9232 9.9232 11.3890 11.3890 13.1134 13.1134 13.3567 13.3567 13.6237 13.6237 22.9342 22.9342 23.1936 23.1936 23.9450 23.9450 24.1765 24.1765 k = 0.1912 0.5000 0.1912 ( 1324 PWs) bands (ev): -22.8923 -22.8923 -7.1582 -7.1582 -5.4752 -5.4752 -4.1693 -4.1693 -3.2784 -3.2784 -2.9835 -2.9835 -2.8246 -2.8246 4.9035 4.9035 8.2159 8.2159 9.2629 9.2629 9.5575 9.5575 9.9593 9.9593 11.4592 11.4592 13.0561 13.0561 13.3267 13.3267 13.5511 13.5511 22.9174 22.9174 23.1732 23.1732 23.9900 23.9900 24.1188 24.1188 k = 0.1838 0.5000 0.1838 ( 1322 PWs) bands (ev): -22.8950 -22.8950 -7.2043 -7.2043 -5.4535 -5.4535 -4.1571 -4.1571 -3.2365 -3.2365 -2.9923 -2.9923 -2.8173 -2.8173 4.9938 4.9938 8.1103 8.1103 9.3177 9.3177 9.5030 9.5030 9.9969 9.9969 11.5323 11.5323 12.9991 12.9991 13.2980 13.2980 13.4773 13.4773 22.9004 22.9004 23.1541 23.1541 24.0329 24.0329 24.0584 24.0584 k = 0.1765 0.5000 0.1765 ( 1326 PWs) bands (ev): -22.8976 -22.8976 -7.2488 -7.2488 -5.4299 -5.4299 -4.1451 -4.1451 -3.1950 -3.1950 -3.0087 -3.0087 -2.8064 -2.8064 5.0832 5.0832 8.0066 8.0066 9.3759 9.3759 9.4461 9.4461 10.0359 10.0359 11.6076 11.6076 12.9422 12.9422 13.2704 13.2704 13.4023 13.4023 22.8832 22.8832 23.1362 23.1362 23.9891 23.9891 24.0801 24.0801 k = 0.1691 0.5000 0.1691 ( 1326 PWs) bands (ev): -22.9002 -22.9002 -7.2916 -7.2916 -5.4042 -5.4042 -4.1335 -4.1335 -3.1537 -3.1537 -3.0310 -3.0310 -2.7930 -2.7930 5.1716 5.1716 7.9051 7.9051 9.3862 9.3862 9.4383 9.4383 10.0764 10.0764 11.6847 11.6847 12.8855 12.8855 13.2440 13.2440 13.3262 13.3262 22.8660 22.8660 23.1196 23.1196 23.9198 23.9198 24.1238 24.1238 k = 0.1618 0.5000 0.1618 ( 1326 PWs) bands (ev): -22.9027 -22.9027 -7.3329 -7.3329 -5.3767 -5.3767 -4.1222 -4.1222 -3.1130 -3.1130 -3.0584 -3.0584 -2.7782 -2.7782 5.2591 5.2591 7.8059 7.8059 9.3255 9.3255 9.5027 9.5027 10.1183 10.1183 11.7631 11.7631 12.8288 12.8288 13.2188 13.2188 13.2492 13.2492 22.8487 22.8487 23.1042 23.1042 23.8474 23.8474 24.1673 24.1673 k = 0.1544 0.5000 0.1544 ( 1326 PWs) bands (ev): -22.9052 -22.9052 -7.3724 -7.3724 -5.3472 -5.3472 -4.1113 -4.1113 -3.0898 -3.0898 -3.0728 -3.0728 -2.7626 -2.7626 5.3455 5.3455 7.7093 7.7093 9.2629 9.2629 9.5704 9.5704 10.1618 10.1618 11.8424 11.8424 12.7722 12.7722 13.1710 13.1710 13.1950 13.1950 22.8315 22.8315 23.0900 23.0900 23.7727 23.7727 24.2105 24.2105 k = 0.1471 0.5000 0.1471 ( 1320 PWs) bands (ev): -22.9076 -22.9076 -7.4103 -7.4103 -5.3159 -5.3159 -4.1008 -4.1008 -3.1246 -3.1246 -3.0334 -3.0334 -2.7467 -2.7467 5.4309 5.4309 7.6155 7.6155 9.1991 9.1991 9.6407 9.6407 10.2067 10.2067 11.9222 11.9222 12.7156 12.7156 13.0924 13.0924 13.1721 13.1721 22.8144 22.8144 23.0771 23.0771 23.6964 23.6964 24.2535 24.2535 k = 0.1397 0.5000 0.1397 ( 1322 PWs) bands (ev): -22.9099 -22.9099 -7.4464 -7.4464 -5.2829 -5.2829 -4.0907 -4.0907 -3.1623 -3.1623 -2.9949 -2.9949 -2.7309 -2.7309 5.5152 5.5152 7.5246 7.5246 9.1341 9.1341 9.7134 9.7134 10.2531 10.2531 12.0018 12.0018 12.6589 12.6589 13.0130 13.0130 13.1504 13.1504 22.7973 22.7973 23.0653 23.0653 23.6192 23.6192 24.2959 24.2959 k = 0.1324 0.5000 0.1324 ( 1322 PWs) bands (ev): -22.9121 -22.9121 -7.4809 -7.4809 -5.2481 -5.2481 -4.0812 -4.0812 -3.2026 -3.2026 -2.9572 -2.9572 -2.7155 -2.7155 5.5982 5.5982 7.4370 7.4370 9.0684 9.0684 9.7882 9.7882 10.3009 10.3009 12.0810 12.0810 12.6020 12.6020 12.9331 12.9331 13.1298 13.1298 22.7803 22.7803 23.0545 23.0545 23.5416 23.5416 24.3380 24.3380 k = 0.1250 0.5000 0.1250 ( 1310 PWs) bands (ev): -22.9142 -22.9142 -7.5135 -7.5135 -5.2118 -5.2118 -4.0721 -4.0721 -3.2450 -3.2450 -2.9207 -2.9207 -2.7004 -2.7004 5.6799 5.6799 7.3527 7.3527 9.0021 9.0021 9.8649 9.8649 10.3503 10.3503 12.1592 12.1592 12.5451 12.5451 12.8529 12.8529 13.1104 13.1104 22.7635 22.7635 23.0450 23.0450 23.4646 23.4646 24.3798 24.3798 k = 0.1176 0.5000 0.1176 ( 1314 PWs) bands (ev): -22.9163 -22.9163 -7.5444 -7.5444 -5.1739 -5.1739 -4.0638 -4.0638 -3.2893 -3.2893 -2.8854 -2.8854 -2.6859 -2.6859 5.7603 5.7603 7.2721 7.2721 8.9354 8.9354 9.9432 9.9432 10.4010 10.4010 12.2361 12.2361 12.4879 12.4879 12.7723 12.7723 13.0921 13.0921 22.7464 22.7464 23.0362 23.0362 23.3886 23.3886 24.4208 24.4208 k = 0.1103 0.5000 0.1103 ( 1314 PWs) bands (ev): -22.9182 -22.9182 -7.5735 -7.5735 -5.1346 -5.1346 -4.0561 -4.0561 -3.3351 -3.3351 -2.8514 -2.8514 -2.6721 -2.6721 5.8391 5.8391 7.1952 7.1952 8.8688 8.8688 10.0227 10.0227 10.4532 10.4532 12.3111 12.3111 12.4305 12.4305 12.6916 12.6916 13.0749 13.0749 22.7292 22.7292 23.0285 23.0285 23.3145 23.3145 24.4613 24.4613 k = 0.1029 0.5000 0.1029 ( 1314 PWs) bands (ev): -22.9201 -22.9201 -7.6008 -7.6008 -5.0940 -5.0940 -4.0491 -4.0491 -3.3821 -3.3821 -2.8188 -2.8188 -2.6590 -2.6590 5.9163 5.9163 7.1222 7.1222 8.8023 8.8023 10.1032 10.1032 10.5067 10.5067 12.3723 12.3723 12.3845 12.3845 12.6110 12.6110 13.0589 13.0589 22.7117 22.7117 23.0216 23.0216 23.2430 23.2430 24.5011 24.5011 k = 0.0956 0.5000 0.0956 ( 1314 PWs) bands (ev): -22.9218 -22.9218 -7.6262 -7.6262 -5.0522 -5.0522 -4.0431 -4.0431 -3.4299 -3.4299 -2.7879 -2.7879 -2.6466 -2.6466 5.9917 5.9917 7.0534 7.0534 8.7364 8.7364 10.1843 10.1843 10.5614 10.5614 12.3148 12.3148 12.4539 12.4539 12.5305 12.5305 13.0440 13.0440 22.6938 22.6938 23.0155 23.0155 23.1751 23.1751 24.5400 24.5400 k = 0.0882 0.5000 0.0882 ( 1318 PWs) bands (ev): -22.9235 -22.9235 -7.6499 -7.6499 -5.0094 -5.0094 -4.0380 -4.0380 -3.4782 -3.4782 -2.7586 -2.7586 -2.6350 -2.6350 6.0649 6.0649 6.9889 6.9889 8.6714 8.6714 10.2656 10.2656 10.6174 10.6174 12.2566 12.2566 12.4499 12.4499 12.5213 12.5213 13.0302 13.0302 22.6753 22.6753 23.0101 23.0101 23.1114 23.1114 24.5777 24.5777 k = 0.0809 0.5000 0.0809 ( 1318 PWs) bands (ev): -22.9250 -22.9250 -7.6717 -7.6717 -4.9658 -4.9658 -4.0341 -4.0341 -3.5265 -3.5265 -2.7312 -2.7312 -2.6243 -2.6243 6.1358 6.1358 6.9289 6.9289 8.6077 8.6077 10.3467 10.3467 10.6746 10.6746 12.1982 12.1982 12.3703 12.3703 12.5846 12.5846 13.0175 13.0175 22.6559 22.6559 23.0054 23.0054 23.0528 23.0528 24.6142 24.6142 k = 0.0735 0.5000 0.0735 ( 1318 PWs) bands (ev): -22.9264 -22.9264 -7.6916 -7.6916 -4.9216 -4.9216 -4.0315 -4.0315 -3.5742 -3.5742 -2.7057 -2.7057 -2.6144 -2.6144 6.2040 6.2040 6.8736 6.8736 8.5457 8.5457 10.4273 10.4273 10.7327 10.7327 12.1397 12.1397 12.2913 12.2913 12.6440 12.6440 13.0059 13.0059 22.6356 22.6356 22.9974 22.9974 23.0039 23.0039 24.6492 24.6492 k = 0.0662 0.5000 0.0662 ( 1326 PWs) bands (ev): -22.9277 -22.9277 -7.7097 -7.7097 -4.8771 -4.8771 -4.0306 -4.0306 -3.6208 -3.6208 -2.6823 -2.6823 -2.6053 -2.6053 6.2691 6.2691 6.8230 6.8230 8.4859 8.4859 10.5067 10.5067 10.7917 10.7917 12.0812 12.0812 12.2133 12.2133 12.6992 12.6992 12.9954 12.9954 22.6142 22.6142 22.9526 22.9526 22.9985 22.9985 24.6825 24.6825 k = 0.0588 0.5000 0.0588 ( 1326 PWs) bands (ev): -22.9288 -22.9288 -7.7259 -7.7259 -4.8326 -4.8326 -4.0318 -4.0318 -3.6653 -3.6653 -2.6610 -2.6610 -2.5972 -2.5972 6.3306 6.3306 6.7773 6.7773 8.4289 8.4289 10.5845 10.5845 10.8512 10.8512 12.0230 12.0230 12.1366 12.1366 12.7496 12.7496 12.9862 12.9862 22.5920 22.5920 22.9127 22.9127 22.9956 22.9956 24.7135 24.7135 k = 0.0515 0.5000 0.0515 ( 1326 PWs) bands (ev): -22.9298 -22.9298 -7.7402 -7.7402 -4.7887 -4.7887 -4.0354 -4.0354 -3.7068 -3.7068 -2.6420 -2.6420 -2.5900 -2.5900 6.3877 6.3877 6.7367 6.7367 8.3756 8.3756 10.6599 10.6599 10.9110 10.9110 11.9655 11.9655 12.0617 12.0617 12.7949 12.7949 12.9780 12.9780 22.5694 22.5694 22.8793 22.8793 22.9931 22.9931 24.7420 24.7420 k = 0.0441 0.5000 0.0441 ( 1326 PWs) bands (ev): -22.9307 -22.9307 -7.7526 -7.7526 -4.7460 -4.7460 -4.0419 -4.0419 -3.7442 -3.7442 -2.6253 -2.6253 -2.5837 -2.5837 6.4400 6.4400 6.7013 6.7013 8.3265 8.3265 10.7320 10.7320 10.9705 10.9705 11.9093 11.9093 11.9891 11.9891 12.8348 12.8348 12.9711 12.9711 22.5472 22.5472 22.8522 22.8522 22.9911 22.9911 24.7677 24.7678 k = 0.0368 0.5000 0.0368 ( 1318 PWs) bands (ev): -22.9315 -22.9315 -7.7631 -7.7631 -4.7052 -4.7052 -4.0516 -4.0516 -3.7761 -3.7761 -2.6110 -2.6110 -2.5783 -2.5783 6.4865 6.4865 6.6711 6.6711 8.2826 8.2826 10.7996 10.7996 11.0289 11.0289 11.8553 11.8553 11.9199 11.9199 12.8688 12.8688 12.9654 12.9654 22.5265 22.5265 22.8307 22.8307 22.9896 22.9896 24.7903 24.7903 k = 0.0294 0.5000 0.0294 ( 1330 PWs) bands (ev): -22.9321 -22.9321 -7.7718 -7.7718 -4.6678 -4.6678 -4.0642 -4.0642 -3.8020 -3.8020 -2.5993 -2.5993 -2.5740 -2.5740 6.5263 6.5263 6.6463 6.6463 8.2448 8.2448 10.8610 10.8610 11.0849 11.0849 11.8046 11.8046 11.8556 11.8556 12.8966 12.8966 12.9611 12.9611 22.5079 22.5079 22.8142 22.8142 22.9882 22.9882 24.8091 24.8100 k = 0.0221 0.5000 0.0221 ( 1334 PWs) bands (ev): -22.9326 -22.9326 -7.7785 -7.7785 -4.6352 -4.6352 -4.0782 -4.0782 -3.8214 -3.8214 -2.5901 -2.5901 -2.5706 -2.5706 6.5585 6.5585 6.6270 6.6270 8.2141 8.2141 10.9141 10.9141 11.1363 11.1363 11.7589 11.7589 11.7988 11.7988 12.9177 12.9177 12.9587 12.9587 22.4926 22.4926 22.8020 22.8020 22.9873 22.9873 24.8238 24.8238 k = 0.0147 0.5000 0.0147 ( 1342 PWs) bands (ev): -22.9330 -22.9330 -7.7833 -7.7833 -4.6093 -4.6093 -4.0916 -4.0916 -3.8346 -3.8346 -2.5834 -2.5834 -2.5682 -2.5682 6.5822 6.5822 6.6132 6.6132 8.1913 8.1913 10.9558 10.9558 11.1797 11.1797 11.7204 11.7204 11.7536 11.7536 12.9310 12.9310 12.9585 12.9585 22.4810 22.4810 22.7937 22.7937 22.9865 22.9865 24.8341 24.8418 k = 0.0074 0.5000 0.0074 ( 1342 PWs) bands (ev): -22.9332 -22.9332 -7.7862 -7.7862 -4.5925 -4.5925 -4.1012 -4.1012 -3.8421 -3.8421 -2.5795 -2.5795 -2.5667 -2.5667 6.5965 6.5965 6.6052 6.6052 8.1773 8.1773 10.9829 10.9829 11.2099 11.2099 11.6930 11.6930 11.7247 11.7247 12.9372 12.9372 12.9605 12.9605 22.4739 22.4739 22.7888 22.7888 22.9862 22.9862 24.8399 24.8408 k = 0.0000 0.5000-0.0000 ( 1342 PWs) bands (ev): -22.9333 -22.9333 -7.7871 -7.7871 -4.5867 -4.5867 -4.1047 -4.1047 -3.8445 -3.8445 -2.5781 -2.5781 -2.5662 -2.5662 6.5998 6.5998 6.6039 6.6039 8.1726 8.1726 10.9923 10.9923 11.2210 11.2210 11.6828 11.6828 11.7148 11.7148 12.9387 12.9387 12.9617 12.9617 22.4715 22.4715 22.7873 22.7873 22.9860 22.9860 24.8414 24.8420 k = 0.5000 0.5000-0.0000 ( 1356 PWs) bands (ev): -22.8671 -22.8671 -6.1884 -6.1884 -6.0874 -6.0874 -5.1376 -5.1376 -3.8617 -3.8617 -2.4233 -2.4233 -2.2940 -2.2940 5.4428 5.4428 7.6993 7.6993 7.7848 7.7848 10.7082 10.7082 10.7086 10.7086 11.3565 11.3565 12.0806 12.0806 12.0815 12.0815 14.8451 14.8451 23.0776 23.0776 23.1742 23.1742 24.8127 24.8127 24.8188 24.8188 k = 0.5000 0.5000 0.0104 ( 1332 PWs) bands (ev): -22.8670 -22.8670 -6.1875 -6.1875 -6.0865 -6.0865 -5.1369 -5.1369 -3.8624 -3.8624 -2.4244 -2.4244 -2.2952 -2.2952 5.4341 5.4341 7.7083 7.7083 7.7865 7.7865 10.7037 10.7037 10.7043 10.7043 11.3566 11.3566 12.0866 12.0866 12.0876 12.0876 14.8454 14.8454 23.0787 23.0787 23.1740 23.1740 24.8117 24.8117 24.8162 24.8162 k = 0.5000 0.5000 0.0208 ( 1332 PWs) bands (ev): -22.8668 -22.8668 -6.1851 -6.1851 -6.0840 -6.0840 -5.1349 -5.1349 -3.8649 -3.8649 -2.4282 -2.4282 -2.2991 -2.2991 5.4085 5.4085 7.7345 7.7345 7.7915 7.7915 10.6905 10.6905 10.6914 10.6914 11.3567 11.3567 12.1041 12.1041 12.1053 12.1053 14.8461 14.8461 23.0814 23.0814 23.1729 23.1729 24.8070 24.8070 24.8077 24.8077 k = 0.5000 0.5000 0.0312 ( 1332 PWs) bands (ev): -22.8665 -22.8665 -6.1811 -6.1811 -6.0800 -6.0800 -5.1316 -5.1316 -3.8689 -3.8689 -2.4346 -2.4346 -2.3056 -2.3056 5.3672 5.3672 7.7768 7.7768 7.7998 7.7998 10.6693 10.6693 10.6707 10.6707 11.3570 11.3570 12.1326 12.1326 12.1342 12.1342 14.8472 14.8472 23.0860 23.0860 23.1712 23.1712 24.7935 24.7935 24.7971 24.7971 k = 0.5000 0.5000 0.0417 ( 1332 PWs) bands (ev): -22.8661 -22.8661 -6.1756 -6.1756 -6.0743 -6.0743 -5.1270 -5.1270 -3.8744 -3.8744 -2.4435 -2.4435 -2.3148 -2.3148 5.3117 5.3117 7.8114 7.8114 7.8336 7.8336 10.6410 10.6410 10.6431 10.6431 11.3573 11.3573 12.1710 12.1710 12.1731 12.1731 14.8488 14.8488 23.0924 23.0924 23.1688 23.1688 24.7737 24.7737 24.7801 24.7801 k = 0.5000 0.5000 0.0521 ( 1332 PWs) bands (ev): -22.8656 -22.8656 -6.1684 -6.1684 -6.0670 -6.0670 -5.1210 -5.1210 -3.8815 -3.8815 -2.4549 -2.4549 -2.3264 -2.3264 5.2442 5.2442 7.8262 7.8262 7.9029 7.9029 10.6069 10.6069 10.6098 10.6098 11.3578 11.3578 12.2182 12.2182 12.2209 12.2209 14.8508 14.8508 23.1007 23.1007 23.1656 23.1656 24.7486 24.7486 24.7563 24.7563 k = 0.5000 0.5000 0.0625 ( 1332 PWs) bands (ev): -22.8649 -22.8649 -6.1596 -6.1596 -6.0581 -6.0581 -5.1138 -5.1138 -3.8902 -3.8902 -2.4688 -2.4688 -2.3407 -2.3407 5.1666 5.1666 7.8441 7.8441 7.9828 7.9828 10.5680 10.5680 10.5718 10.5718 11.3583 11.3583 12.2730 12.2730 12.2763 12.2763 14.8532 14.8532 23.1107 23.1107 23.1617 23.1617 24.7182 24.7182 24.7266 24.7266 k = 0.5000 0.5000 0.0729 ( 1332 PWs) bands (ev): -22.8642 -22.8642 -6.1493 -6.1493 -6.0476 -6.0476 -5.1052 -5.1052 -3.9002 -3.9002 -2.4851 -2.4851 -2.3574 -2.3574 5.0806 5.0806 7.8652 7.8652 8.0712 8.0712 10.5255 10.5255 10.5302 10.5302 11.3590 11.3590 12.3343 12.3343 12.3383 12.3383 14.8561 14.8561 23.1224 23.1224 23.1570 23.1570 24.6829 24.6829 24.6916 24.6916 k = 0.5000 0.5000 0.0833 ( 1332 PWs) bands (ev): -22.8633 -22.8633 -6.1374 -6.1374 -6.0354 -6.0354 -5.0955 -5.0955 -3.9117 -3.9117 -2.5039 -2.5039 -2.3766 -2.3766 4.9880 4.9880 7.8892 7.8892 8.1668 8.1668 10.4802 10.4802 10.4859 10.4859 11.3597 11.3597 12.4012 12.4012 12.4059 12.4059 14.8594 14.8594 23.1359 23.1359 23.1514 23.1514 24.6428 24.6428 24.6516 24.6516 k = 0.5000 0.5000 0.0937 ( 1332 PWs) bands (ev): -22.8624 -22.8624 -6.1239 -6.1239 -6.0217 -6.0217 -5.0845 -5.0845 -3.9245 -3.9245 -2.5250 -2.5250 -2.3983 -2.3983 4.8902 4.8902 7.9161 7.9161 8.2679 8.2679 10.4330 10.4330 10.4398 10.4398 11.3605 11.3605 12.4728 12.4728 12.4781 12.4781 14.8630 14.8630 23.1450 23.1450 23.1511 23.1511 24.5981 24.5981 24.6071 24.6071 k = 0.5000 0.5000 0.1042 ( 1332 PWs) bands (ev): -22.8613 -22.8613 -6.1089 -6.1089 -6.0064 -6.0064 -5.0722 -5.0722 -3.9386 -3.9386 -2.5485 -2.5485 -2.4223 -2.4223 4.7882 4.7882 7.9458 7.9458 8.3735 8.3735 10.3846 10.3846 10.3924 10.3924 11.3614 11.3614 12.5483 12.5483 12.5543 12.5543 14.8671 14.8671 23.1376 23.1376 23.1679 23.1679 24.5493 24.5493 24.5583 24.5583 k = 0.5000 0.5000 0.1146 ( 1332 PWs) bands (ev): -22.8602 -22.8602 -6.0923 -6.0923 -5.9895 -5.9895 -5.0589 -5.0589 -3.9539 -3.9539 -2.5743 -2.5743 -2.4487 -2.4487 4.6831 4.6831 7.9781 7.9781 8.4825 8.4825 10.3354 10.3354 10.3444 10.3444 11.3624 11.3624 12.6271 12.6271 12.6337 12.6337 14.8715 14.8715 23.1293 23.1293 23.1864 23.1864 24.4965 24.4965 24.5055 24.5055 k = 0.5000 0.5000 0.1250 ( 1332 PWs) bands (ev): -22.8590 -22.8590 -6.0742 -6.0742 -5.9710 -5.9710 -5.0443 -5.0443 -3.9702 -3.9702 -2.6023 -2.6023 -2.4775 -2.4775 4.5757 4.5757 8.0129 8.0129 8.5941 8.5941 10.2861 10.2861 10.2961 10.2961 11.3635 11.3635 12.7086 12.7086 12.7158 12.7158 14.8763 14.8763 23.1199 23.1199 23.2064 23.2064 24.4400 24.4400 24.4491 24.4491 k = 0.5000 0.5000 0.1354 ( 1332 PWs) bands (ev): -22.8576 -22.8576 -6.0545 -6.0545 -5.9510 -5.9510 -5.0287 -5.0287 -3.9877 -3.9877 -2.6325 -2.6325 -2.5084 -2.5084 4.4667 4.4667 8.0501 8.0501 8.7077 8.7077 10.2368 10.2368 10.2479 10.2479 11.3646 11.3646 12.7925 12.7925 12.8002 12.8002 14.8814 14.8814 23.1095 23.1095 23.2280 23.2280 24.3802 24.3802 24.3893 24.3893 k = 0.5000 0.5000 0.1458 ( 1332 PWs) bands (ev): -22.8563 -22.8563 -6.0333 -6.0333 -5.9294 -5.9294 -5.0120 -5.0120 -4.0060 -4.0060 -2.6649 -2.6649 -2.5415 -2.5415 4.3566 4.3566 8.0895 8.0895 8.8225 8.8225 10.1880 10.1880 10.2002 10.2002 11.3659 11.3659 12.8782 12.8782 12.8864 12.8864 14.8868 14.8868 23.0979 23.0979 23.2510 23.2510 24.3175 24.3175 24.3265 24.3265 k = 0.5000 0.5000 0.1562 ( 1332 PWs) bands (ev): -22.8548 -22.8548 -6.0107 -6.0107 -5.9062 -5.9062 -4.9943 -4.9943 -4.0253 -4.0253 -2.6993 -2.6993 -2.5767 -2.5767 4.2460 4.2460 8.1309 8.1309 8.9381 8.9381 10.1398 10.1398 10.1531 10.1531 11.3671 11.3671 12.9654 12.9654 12.9741 12.9741 14.8925 14.8925 23.0852 23.0852 23.2754 23.2754 24.2520 24.2520 24.2609 24.2609 k = 0.5000 0.5000 0.1667 ( 1344 PWs) bands (ev): -22.8533 -22.8533 -5.9865 -5.9865 -5.8816 -5.8816 -4.9757 -4.9757 -4.0454 -4.0454 -2.7357 -2.7357 -2.6141 -2.6141 4.1353 4.1353 8.1741 8.1741 9.0541 9.0541 10.0925 10.0925 10.1069 10.1069 11.3685 11.3685 13.0538 13.0538 13.0630 13.0630 14.8985 14.8985 23.0713 23.0713 23.3009 23.3009 24.1839 24.1839 24.1928 24.1928 k = 0.5000 0.5000 0.1771 ( 1328 PWs) bands (ev): -22.8517 -22.8517 -5.9608 -5.9608 -5.8553 -5.8553 -4.9561 -4.9561 -4.0659 -4.0659 -2.7740 -2.7740 -2.6533 -2.6533 4.0249 4.0249 8.2190 8.2190 9.1701 9.1701 10.0462 10.0462 10.0617 10.0617 11.3699 11.3699 13.1431 13.1431 13.1527 13.1527 14.9048 14.9048 23.0564 23.0564 23.3280 23.3280 24.1141 24.1141 24.1229 24.1229 k = 0.5000 0.5000 0.1875 ( 1328 PWs) bands (ev): -22.8500 -22.8500 -5.9337 -5.9337 -5.8276 -5.8276 -4.9357 -4.9357 -4.0871 -4.0871 -2.8141 -2.8141 -2.6944 -2.6944 3.9150 3.9150 8.2654 8.2654 9.2856 9.2856 10.0011 10.0011 10.0176 10.0176 11.3714 11.3714 13.2330 13.2330 13.2430 13.2430 14.9112 14.9112 23.0400 23.0400 23.3561 23.3561 24.0424 24.0424 24.0511 24.0511 k = 0.5000 0.5000 0.1979 ( 1328 PWs) bands (ev): -22.8483 -22.8483 -5.9052 -5.9052 -5.7984 -5.7984 -4.9146 -4.9146 -4.1088 -4.1088 -2.8561 -2.8561 -2.7374 -2.7374 3.8060 3.8060 8.3131 8.3131 9.4004 9.4004 9.9571 9.9571 9.9748 9.9748 11.3728 11.3728 13.3232 13.3232 13.3336 13.3336 14.9179 14.9179 23.0225 23.0225 23.3852 23.3852 23.9693 23.9693 23.9779 23.9779 k = 0.5000 0.5000 0.2083 ( 1328 PWs) bands (ev): -22.8466 -22.8466 -5.8752 -5.8752 -5.7678 -5.7678 -4.8927 -4.8927 -4.1308 -4.1308 -2.8997 -2.8997 -2.7822 -2.7822 3.6982 3.6982 8.3619 8.3619 9.5141 9.5141 9.9145 9.9145 9.9332 9.9332 11.3744 11.3744 13.4135 13.4135 13.4243 13.4243 14.9247 14.9247 23.0036 23.0036 23.4153 23.4153 23.8950 23.8950 23.9034 23.9034 k = 0.5000 0.5000 0.2187 ( 1332 PWs) bands (ev): -22.8448 -22.8448 -5.8439 -5.8439 -5.7357 -5.7357 -4.8701 -4.8701 -4.1531 -4.1531 -2.9449 -2.9449 -2.8286 -2.8286 3.5917 3.5917 8.4115 8.4115 9.6265 9.6265 9.8733 9.8733 9.8932 9.8932 11.3759 11.3759 13.5037 13.5037 13.5148 13.5148 14.9317 14.9317 22.9836 22.9836 23.4461 23.4461 23.8198 23.8198 23.8281 23.8281 k = 0.5000 0.5000 0.2292 ( 1332 PWs) bands (ev): -22.8430 -22.8430 -5.8111 -5.8111 -5.7021 -5.7021 -4.8470 -4.8470 -4.1756 -4.1756 -2.9917 -2.9917 -2.8766 -2.8766 3.4869 3.4869 8.4618 8.4618 9.7370 9.7370 9.8335 9.8335 9.8548 9.8548 11.3775 11.3775 13.5935 13.5935 13.6050 13.6050 14.9387 14.9387 22.9624 22.9624 23.4778 23.4778 23.7441 23.7441 23.7522 23.7522 k = 0.5000 0.5000 0.2396 ( 1332 PWs) bands (ev): -22.8412 -22.8412 -5.7770 -5.7770 -5.6672 -5.6672 -4.8234 -4.8234 -4.1981 -4.1981 -3.0400 -3.0400 -2.9260 -2.9260 3.3839 3.3839 8.5126 8.5126 9.7952 9.7952 9.8140 9.8140 9.8496 9.8496 11.3791 11.3791 13.6828 13.6828 13.6945 13.6945 14.9459 14.9459 22.9401 22.9401 23.5100 23.5100 23.6682 23.6682 23.6759 23.6759 k = 0.5000 0.5000 0.2500 ( 1332 PWs) bands (ev): -22.8394 -22.8394 -5.7416 -5.7416 -5.6308 -5.6308 -4.7994 -4.7994 -4.2205 -4.2205 -3.0896 -3.0896 -2.9770 -2.9770 3.2829 3.2829 8.5636 8.5636 9.7585 9.7585 9.7804 9.7804 9.9546 9.9546 11.3807 11.3807 13.7712 13.7712 13.7832 13.7832 14.9531 14.9531 22.9167 22.9167 23.5416 23.5416 23.5934 23.5934 23.5997 23.5997 k = 0.5000 0.5000 0.2604 ( 1348 PWs) bands (ev): -22.8376 -22.8376 -5.7050 -5.7050 -5.5931 -5.5931 -4.7752 -4.7752 -4.2429 -4.2429 -3.1406 -3.1406 -3.0293 -3.0293 3.1842 3.1842 8.6147 8.6147 9.7232 9.7232 9.7462 9.7462 10.0593 10.0593 11.3822 11.3822 13.8585 13.8585 13.8707 13.8707 14.9603 14.9603 22.8922 22.8922 23.5140 23.5140 23.5235 23.5235 23.5783 23.5783 k = 0.5000 0.5000 0.2708 ( 1348 PWs) bands (ev): -22.8358 -22.8358 -5.6670 -5.6670 -5.5541 -5.5541 -4.7507 -4.7507 -4.2650 -4.2650 -3.1927 -3.1927 -3.0829 -3.0829 3.0879 3.0879 8.6655 8.6655 9.6895 9.6895 9.7135 9.7135 10.1616 10.1616 11.3838 11.3838 13.9446 13.9446 13.9570 13.9570 14.9675 14.9675 22.8669 22.8669 23.4396 23.4396 23.4481 23.4481 23.6109 23.6109 k = 0.5000 0.5000 0.2812 ( 1348 PWs) bands (ev): -22.8340 -22.8340 -5.6278 -5.6278 -5.5136 -5.5136 -4.7260 -4.7260 -4.2867 -4.2867 -3.2459 -3.2459 -3.1376 -3.1376 2.9942 2.9942 8.7160 8.7160 9.6574 9.6574 9.6823 9.6823 10.2614 10.2614 11.3853 11.3853 14.0292 14.0292 14.0418 14.0418 14.9747 14.9747 22.8409 22.8409 23.3653 23.3653 23.3734 23.3734 23.6444 23.6444 k = 0.5000 0.5000 0.2917 ( 1348 PWs) bands (ev): -22.8323 -22.8323 -5.5874 -5.5874 -5.4719 -5.4719 -4.7014 -4.7014 -4.3080 -4.3080 -3.3001 -3.3001 -3.1933 -3.1933 2.9034 2.9034 8.7659 8.7659 9.6269 9.6269 9.6525 9.6525 10.3582 10.3582 11.3869 11.3869 14.1121 14.1121 14.1249 14.1249 14.9818 14.9818 22.8143 22.8143 23.2919 23.2919 23.2998 23.2998 23.6780 23.6780 k = 0.5000 0.5000 0.3021 ( 1340 PWs) bands (ev): -22.8305 -22.8305 -5.5458 -5.5458 -5.4289 -5.4289 -4.6769 -4.6769 -4.3287 -4.3287 -3.3553 -3.3553 -3.2501 -3.2501 2.8155 2.8155 8.8149 8.8149 9.5979 9.5979 9.6244 9.6244 10.4520 10.4520 11.3884 11.3884 14.1930 14.1930 14.2060 14.2060 14.9889 14.9889 22.7872 22.7872 23.2200 23.2200 23.2277 23.2277 23.7115 23.7115 k = 0.5000 0.5000 0.3125 ( 1344 PWs) bands (ev): -22.8288 -22.8288 -5.5032 -5.5032 -5.3847 -5.3847 -4.6526 -4.6526 -4.3489 -4.3489 -3.4113 -3.4113 -3.3078 -3.3078 2.7307 2.7307 8.8629 8.8629 9.5705 9.5705 9.5977 9.5977 10.5424 10.5424 11.3899 11.3899 14.2717 14.2717 14.2848 14.2848 14.9957 14.9957 22.7597 22.7597 23.1495 23.1495 23.1571 23.1571 23.7446 23.7446 k = 0.5000 0.5000 0.3229 ( 1344 PWs) bands (ev): -22.8272 -22.8272 -5.4595 -5.4595 -5.3392 -5.3392 -4.6287 -4.6287 -4.3684 -4.3684 -3.4680 -3.4680 -3.3663 -3.3663 2.6493 2.6493 8.9096 8.9096 9.5447 9.5447 9.5725 9.5725 10.6294 10.6294 11.3914 11.3914 14.3480 14.3480 14.3613 14.3613 15.0025 15.0025 22.7322 22.7322 23.0808 23.0808 23.0883 23.0883 23.7772 23.7772 k = 0.5000 0.5000 0.3333 ( 1336 PWs) bands (ev): -22.8255 -22.8255 -5.4148 -5.4148 -5.2925 -5.2925 -4.6052 -4.6052 -4.3869 -4.3869 -3.5254 -3.5254 -3.4256 -3.4256 2.5713 2.5713 8.9549 8.9549 9.5204 9.5204 9.5489 9.5489 10.7127 10.7127 11.3928 11.3928 14.4217 14.4217 14.4351 14.4351 15.0090 15.0090 22.7047 22.7047 23.0144 23.0144 23.0217 23.0217 23.8093 23.8093 k = 0.5000 0.5000 0.3437 ( 1344 PWs) bands (ev): -22.8240 -22.8240 -5.3692 -5.3692 -5.2447 -5.2447 -4.5823 -4.5823 -4.4048 -4.4048 -3.5833 -3.5833 -3.4856 -3.4856 2.4971 2.4971 8.9985 8.9985 9.4977 9.4977 9.5268 9.5268 10.7921 10.7921 11.3941 11.3941 14.4924 14.4924 14.5059 14.5059 15.0153 15.0153 22.6775 22.6775 22.9501 22.9501 22.9573 22.9573 23.8403 23.8403 k = 0.5000 0.5000 0.3542 ( 1344 PWs) bands (ev): -22.8225 -22.8225 -5.3227 -5.3227 -5.1958 -5.1958 -4.5601 -4.5601 -4.4216 -4.4216 -3.6417 -3.6417 -3.5461 -3.5461 2.4267 2.4267 9.0403 9.0403 9.4766 9.4766 9.5062 9.5062 10.8674 10.8674 11.3954 11.3954 14.5600 14.5600 14.5737 14.5737 15.0214 15.0214 22.6507 22.6507 22.8886 22.8886 22.8957 22.8957 23.8704 23.8704 k = 0.5000 0.5000 0.3646 ( 1344 PWs) bands (ev): -22.8211 -22.8211 -5.2755 -5.2755 -5.1458 -5.1458 -4.5387 -4.5387 -4.4373 -4.4373 -3.7004 -3.7004 -3.6071 -3.6071 2.3602 2.3602 9.0800 9.0800 9.4571 9.4571 9.4870 9.4870 10.9385 10.9385 11.3967 11.3967 14.6243 14.6243 14.6380 14.6380 15.0272 15.0272 22.6246 22.6246 22.8300 22.8300 22.8369 22.8369 23.8994 23.8994 k = 0.5000 0.5000 0.3750 ( 1352 PWs) bands (ev): -22.8198 -22.8198 -5.2276 -5.2276 -5.0947 -5.0947 -4.5183 -4.5183 -4.4520 -4.4520 -3.7594 -3.7594 -3.6685 -3.6685 2.2980 2.2980 9.1175 9.1175 9.4391 9.4391 9.4693 9.4693 11.0050 11.0050 11.3978 11.3978 14.6849 14.6849 14.6988 14.6988 15.0327 15.0327 22.5994 22.5994 22.7745 22.7745 22.7813 22.7813 23.9267 23.9267 k = 0.5000 0.5000 0.3854 ( 1352 PWs) bands (ev): -22.8186 -22.8186 -5.1793 -5.1793 -5.0426 -5.0426 -4.4989 -4.4989 -4.4653 -4.4653 -3.8184 -3.8184 -3.7303 -3.7303 2.2400 2.2400 9.1525 9.1525 9.4228 9.4228 9.4531 9.4531 11.0669 11.0669 11.3989 11.3989 14.7417 14.7417 14.7557 14.7557 15.0378 15.0378 22.5753 22.5753 22.7224 22.7224 22.7291 22.7291 23.9528 23.9528 k = 0.5000 0.5000 0.3958 ( 1352 PWs) bands (ev): -22.8174 -22.8174 -5.1306 -5.1306 -4.9895 -4.9895 -4.4808 -4.4808 -4.4770 -4.4770 -3.8774 -3.8774 -3.7924 -3.7924 2.1865 2.1865 9.1849 9.1849 9.4080 9.4080 9.4384 9.4384 11.1241 11.1241 11.3999 11.3999 14.7945 14.7945 14.8086 14.8086 15.0426 15.0426 22.5525 22.5525 22.6739 22.6739 22.6805 22.6805 23.9772 23.9772 k = 0.5000 0.5000 0.4062 ( 1352 PWs) bands (ev): -22.8163 -22.8163 -5.0819 -5.0819 -4.9355 -4.9355 -4.4872 -4.4872 -4.4639 -4.4639 -3.9362 -3.9362 -3.8546 -3.8546 2.1377 2.1377 9.2144 9.2144 9.3949 9.3949 9.4251 9.4251 11.1764 11.1764 11.4009 11.4009 14.8430 14.8430 14.8572 14.8572 15.0471 15.0471 22.5311 22.5311 22.6292 22.6292 22.6358 22.6358 23.9998 23.9998 k = 0.5000 0.5000 0.4167 ( 1352 PWs) bands (ev): -22.8154 -22.8154 -5.0335 -5.0335 -4.8806 -4.8806 -4.4954 -4.4954 -4.4486 -4.4486 -3.9947 -3.9947 -3.9170 -3.9170 2.0935 2.0935 9.2409 9.2409 9.3836 9.3836 9.4132 9.4132 11.2236 11.2236 11.4017 11.4017 14.8869 14.8869 14.9013 14.9013 15.0512 15.0512 22.5115 22.5115 22.5886 22.5886 22.5951 22.5951 24.0205 24.0205 k = 0.5000 0.5000 0.4271 ( 1344 PWs) bands (ev): -22.8145 -22.8145 -4.9859 -4.9859 -4.8248 -4.8248 -4.5015 -4.5015 -4.4347 -4.4347 -4.0526 -4.0526 -3.9793 -3.9793 2.0543 2.0543 9.2640 9.2640 9.3742 9.3742 9.4028 9.4028 11.2656 11.2656 11.4026 11.4026 14.9262 14.9262 14.9408 14.9408 15.0550 15.0550 22.4937 22.4937 22.5523 22.5523 22.5588 22.5588 24.0391 24.0391 k = 0.5000 0.5000 0.4375 ( 1344 PWs) bands (ev): -22.8137 -22.8137 -4.9397 -4.9397 -4.7683 -4.7683 -4.5048 -4.5048 -4.4225 -4.4225 -4.1097 -4.1097 -4.0417 -4.0417 2.0200 2.0200 9.2833 9.2833 9.3670 9.3670 9.3937 9.3937 11.3023 11.3023 11.4032 11.4032 14.9605 14.9605 14.9753 14.9753 15.0583 15.0583 22.4778 22.4778 22.5203 22.5203 22.5269 22.5269 24.0555 24.0555 k = 0.5000 0.5000 0.4479 ( 1344 PWs) bands (ev): -22.8131 -22.8131 -4.8960 -4.8960 -4.7110 -4.7110 -4.5048 -4.5048 -4.4120 -4.4120 -4.1657 -4.1657 -4.1039 -4.1039 1.9908 1.9908 9.2982 9.2982 9.3626 9.3626 9.3861 9.3861 11.3335 11.3335 11.4038 11.4038 14.9897 14.9897 15.0049 15.0049 15.0614 15.0614 22.4641 22.4641 22.4930 22.4930 22.4997 22.4997 24.0696 24.0696 k = 0.5000 0.5000 0.4583 ( 1340 PWs) bands (ev): -22.8126 -22.8126 -4.8561 -4.8561 -4.6530 -4.6530 -4.5004 -4.5004 -4.4032 -4.4032 -4.2199 -4.2199 -4.1659 -4.1659 1.9668 1.9668 9.3082 9.3082 9.3612 9.3612 9.3798 9.3798 11.3591 11.3591 11.4043 11.4043 15.0135 15.0135 15.0293 15.0293 15.0642 15.0642 22.4527 22.4527 22.4705 22.4705 22.4773 22.4773 24.0812 24.0812 k = 0.5000 0.5000 0.4687 ( 1340 PWs) bands (ev): -22.8121 -22.8121 -4.8219 -4.8219 -4.5946 -4.5946 -4.4905 -4.4905 -4.3964 -4.3964 -4.2718 -4.2718 -4.2275 -4.2275 1.9480 1.9480 9.3135 9.3135 9.3627 9.3627 9.3750 9.3750 11.3792 11.3792 11.4046 11.4046 15.0315 15.0315 15.0484 15.0484 15.0669 15.0669 22.4434 22.4434 22.4528 22.4528 22.4600 22.4600 24.0903 24.0903 k = 0.5000 0.5000 0.4792 ( 1332 PWs) bands (ev): -22.8118 -22.8118 -4.7954 -4.7954 -4.5358 -4.5358 -4.4741 -4.4741 -4.3915 -4.3915 -4.3202 -4.3202 -4.2885 -4.2885 1.9346 1.9346 9.3156 9.3156 9.3655 9.3655 9.3716 9.3716 11.3935 11.3935 11.4049 11.4049 15.0437 15.0437 15.0621 15.0621 15.0697 15.0697 22.4363 22.4363 22.4402 22.4402 22.4480 22.4480 24.0969 24.0969 k = 0.5000 0.5000 0.4896 ( 1328 PWs) bands (ev): -22.8116 -22.8116 -4.7788 -4.7788 -4.4779 -4.4779 -4.4520 -4.4520 -4.3886 -4.3886 -4.3622 -4.3622 -4.3477 -4.3477 1.9265 1.9265 9.3162 9.3162 9.3679 9.3679 9.3695 9.3695 11.4022 11.4022 11.4051 11.4051 15.0503 15.0503 15.0704 15.0704 15.0721 15.0721 22.4317 22.4317 22.4326 22.4326 22.4411 22.4411 24.1010 24.1010 k = 0.5000 0.5000 0.5000 ( 1328 PWs) bands (ev): -22.8116 -22.8116 -4.7731 -4.7731 -4.4361 -4.4361 -4.4361 -4.4361 -4.3926 -4.3926 -4.3849 -4.3849 -4.3849 -4.3849 1.9238 1.9238 9.3163 9.3163 9.3688 9.3688 9.3688 9.3688 11.4051 11.4051 11.4051 11.4051 15.0523 15.0523 15.0731 15.0731 15.0731 15.0731 22.4300 22.4300 22.4300 22.4300 22.4390 22.4390 24.1023 24.1023 Writing output data file CaSiO3.save init_run : 0.28s CPU 0.76s WALL ( 1 calls) electrons : 131.45s CPU 135.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.23s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 131.44s CPU 135.96s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 369 calls) cegterg : 126.30s CPU 128.93s WALL ( 938 calls) Called by sum_band: Called by *egterg: h_psi : 40.40s CPU 42.40s WALL ( 17074 calls) s_psi : 3.36s CPU 3.27s WALL ( 17074 calls) g_psi : 0.16s CPU 0.10s WALL ( 15767 calls) cdiaghg : 75.67s CPU 77.27s WALL ( 16136 calls) cegterg:over : 3.80s CPU 3.61s WALL ( 15767 calls) cegterg:upda : 2.42s CPU 2.35s WALL ( 15767 calls) cegterg:last : 1.33s CPU 1.25s WALL ( 2043 calls) cdiaghg:chol : 3.64s CPU 3.81s WALL ( 16136 calls) cdiaghg:inve : 2.19s CPU 2.29s WALL ( 16136 calls) cdiaghg:para : 4.04s CPU 4.35s WALL ( 32272 calls) Called by h_psi: h_psi:vloc : 33.31s CPU 34.87s WALL ( 17074 calls) h_psi:vnl : 7.00s CPU 7.46s WALL ( 17074 calls) add_vuspsi : 3.64s CPU 3.85s WALL ( 17074 calls) General routines calbec : 3.34s CPU 3.57s WALL ( 17074 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 31.65s CPU 33.14s WALL ( 993448 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.22s WALL ( 738 calls) Parallel routines fft_scatter : 17.98s CPU 18.64s WALL ( 993471 calls) PWSCF : 2m21.06s CPU 3m 0.78s WALL This run was terminated on: 16:30:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=