Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:44: 8 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: ./CsCdF3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 100 50 14 4561 1606 250 Max 103 51 15 4562 1618 253 Sum 3613 1813 517 164223 58077 9045 bravais-lattice index = 14 lattice parameter (alat) = 8.4471 a.u. unit-cell volume = 602.7248 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.447075 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) F 7.00 18.99840 F( 1.00) Cs 9.00 132.90550 Cs( 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= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 Dense grid: 164223 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 58077 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 418, 50) NL pseudopotentials 0.44 Mb ( 209, 138) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4562) G-vector shells 0.01 Mb ( 807) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 418, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 138, 2, 50) The potential is recalculated from file : ./CsCdF3.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.0 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 10.6 secs Computing kpt #: 6 total cpu time spent up to now is 12.3 secs Computing kpt #: 7 total cpu time spent up to now is 14.0 secs Computing kpt #: 8 total cpu time spent up to now is 15.6 secs Computing kpt #: 9 total cpu time spent up to now is 16.9 secs Computing kpt #: 10 total cpu time spent up to now is 18.2 secs Computing kpt #: 11 total cpu time spent up to now is 19.4 secs Computing kpt #: 12 total cpu time spent up to now is 20.4 secs Computing kpt #: 13 total cpu time spent up to now is 21.3 secs Computing kpt #: 14 total cpu time spent up to now is 22.2 secs Computing kpt #: 15 total cpu time spent up to now is 23.0 secs Computing kpt #: 16 total cpu time spent up to now is 23.8 secs Computing kpt #: 17 total cpu time spent up to now is 24.6 secs Computing kpt #: 18 total cpu time spent up to now is 25.3 secs Computing kpt #: 19 total cpu time spent up to now is 26.0 secs Computing kpt #: 20 total cpu time spent up to now is 26.8 secs Computing kpt #: 21 total cpu time spent up to now is 27.5 secs Computing kpt #: 22 total cpu time spent up to now is 28.3 secs Computing kpt #: 23 total cpu time spent up to now is 29.0 secs Computing kpt #: 24 total cpu time spent up to now is 29.7 secs Computing kpt #: 25 total cpu time spent up to now is 30.5 secs Computing kpt #: 26 total cpu time spent up to now is 31.2 secs Computing kpt #: 27 total cpu time spent up to now is 31.9 secs Computing kpt #: 28 total cpu time spent up to now is 32.6 secs Computing kpt #: 29 total cpu time spent up to now is 33.3 secs Computing kpt #: 30 total cpu time spent up to now is 34.0 secs Computing kpt #: 31 total cpu time spent up to now is 34.7 secs Computing kpt #: 32 total cpu time spent up to now is 35.5 secs Computing kpt #: 33 total cpu time spent up to now is 36.1 secs Computing kpt #: 34 total cpu time spent up to now is 36.8 secs Computing kpt #: 35 total cpu time spent up to now is 37.5 secs Computing kpt #: 36 total cpu time spent up to now is 38.2 secs Computing kpt #: 37 total cpu time spent up to now is 38.8 secs Computing kpt #: 38 total cpu time spent up to now is 39.5 secs Computing kpt #: 39 total cpu time spent up to now is 40.1 secs Computing kpt #: 40 total cpu time spent up to now is 40.8 secs Computing kpt #: 41 total cpu time spent up to now is 41.4 secs Computing kpt #: 42 total cpu time spent up to now is 42.1 secs Computing kpt #: 43 total cpu time spent up to now is 42.8 secs Computing kpt #: 44 total cpu time spent up to now is 43.4 secs Computing kpt #: 45 total cpu time spent up to now is 44.1 secs Computing kpt #: 46 total cpu time spent up to now is 44.7 secs Computing kpt #: 47 total cpu time spent up to now is 45.3 secs Computing kpt #: 48 total cpu time spent up to now is 45.9 secs Computing kpt #: 49 total cpu time spent up to now is 46.5 secs Computing kpt #: 50 total cpu time spent up to now is 47.1 secs Computing kpt #: 51 total cpu time spent up to now is 47.7 secs Computing kpt #: 52 total cpu time spent up to now is 48.3 secs Computing kpt #: 53 total cpu time spent up to now is 48.9 secs Computing kpt #: 54 total cpu time spent up to now is 49.5 secs Computing kpt #: 55 total cpu time spent up to now is 50.1 secs Computing kpt #: 56 total cpu time spent up to now is 50.7 secs Computing kpt #: 57 total cpu time spent up to now is 51.3 secs Computing kpt #: 58 total cpu time spent up to now is 52.0 secs Computing kpt #: 59 total cpu time spent up to now is 52.6 secs Computing kpt #: 60 total cpu time spent up to now is 53.2 secs Computing kpt #: 61 total cpu time spent up to now is 53.8 secs Computing kpt #: 62 total cpu time spent up to now is 54.5 secs Computing kpt #: 63 total cpu time spent up to now is 55.2 secs Computing kpt #: 64 total cpu time spent up to now is 55.9 secs Computing kpt #: 65 total cpu time spent up to now is 56.5 secs Computing kpt #: 66 total cpu time spent up to now is 57.2 secs Computing kpt #: 67 total cpu time spent up to now is 57.9 secs Computing kpt #: 68 total cpu time spent up to now is 58.6 secs Computing kpt #: 69 total cpu time spent up to now is 59.2 secs Computing kpt #: 70 total cpu time spent up to now is 59.8 secs Computing kpt #: 71 total cpu time spent up to now is 60.4 secs Computing kpt #: 72 total cpu time spent up to now is 61.0 secs Computing kpt #: 73 total cpu time spent up to now is 61.6 secs Computing kpt #: 74 total cpu time spent up to now is 62.2 secs Computing kpt #: 75 total cpu time spent up to now is 62.8 secs Computing kpt #: 76 total cpu time spent up to now is 63.4 secs Computing kpt #: 77 total cpu time spent up to now is 64.0 secs Computing kpt #: 78 total cpu time spent up to now is 64.6 secs Computing kpt #: 79 total cpu time spent up to now is 65.2 secs Computing kpt #: 80 total cpu time spent up to now is 65.8 secs Computing kpt #: 81 total cpu time spent up to now is 66.4 secs Computing kpt #: 82 total cpu time spent up to now is 67.0 secs Computing kpt #: 83 total cpu time spent up to now is 67.7 secs Computing kpt #: 84 total cpu time spent up to now is 68.3 secs Computing kpt #: 85 total cpu time spent up to now is 69.0 secs Computing kpt #: 86 total cpu time spent up to now is 69.6 secs Computing kpt #: 87 total cpu time spent up to now is 70.2 secs Computing kpt #: 88 total cpu time spent up to now is 71.0 secs Computing kpt #: 89 total cpu time spent up to now is 71.7 secs Computing kpt #: 90 total cpu time spent up to now is 72.4 secs Computing kpt #: 91 total cpu time spent up to now is 73.1 secs Computing kpt #: 92 total cpu time spent up to now is 73.8 secs Computing kpt #: 93 total cpu time spent up to now is 74.5 secs Computing kpt #: 94 total cpu time spent up to now is 75.2 secs Computing kpt #: 95 total cpu time spent up to now is 75.9 secs Computing kpt #: 96 total cpu time spent up to now is 76.5 secs Computing kpt #: 97 total cpu time spent up to now is 77.2 secs Computing kpt #: 98 total cpu time spent up to now is 78.0 secs Computing kpt #: 99 total cpu time spent up to now is 78.7 secs Computing kpt #: 100 total cpu time spent up to now is 79.4 secs Computing kpt #: 101 total cpu time spent up to now is 80.1 secs Computing kpt #: 102 total cpu time spent up to now is 80.8 secs Computing kpt #: 103 total cpu time spent up to now is 81.5 secs Computing kpt #: 104 total cpu time spent up to now is 82.2 secs Computing kpt #: 105 total cpu time spent up to now is 82.9 secs Computing kpt #: 106 total cpu time spent up to now is 83.7 secs Computing kpt #: 107 total cpu time spent up to now is 84.4 secs Computing kpt #: 108 total cpu time spent up to now is 85.1 secs Computing kpt #: 109 total cpu time spent up to now is 85.8 secs Computing kpt #: 110 total cpu time spent up to now is 86.6 secs Computing kpt #: 111 total cpu time spent up to now is 87.3 secs Computing kpt #: 112 total cpu time spent up to now is 88.1 secs Computing kpt #: 113 total cpu time spent up to now is 88.8 secs Computing kpt #: 114 total cpu time spent up to now is 89.7 secs Computing kpt #: 115 total cpu time spent up to now is 90.6 secs Computing kpt #: 116 total cpu time spent up to now is 91.4 secs Computing kpt #: 117 total cpu time spent up to now is 92.3 secs Computing kpt #: 118 total cpu time spent up to now is 93.3 secs Computing kpt #: 119 total cpu time spent up to now is 94.2 secs Computing kpt #: 120 total cpu time spent up to now is 95.4 secs Computing kpt #: 121 total cpu time spent up to now is 96.7 secs Computing kpt #: 122 total cpu time spent up to now is 98.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.2 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 125 total cpu time spent up to now is 102.6 secs Computing kpt #: 126 total cpu time spent up to now is 103.2 secs Computing kpt #: 127 total cpu time spent up to now is 105.1 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.9 secs Computing kpt #: 129 total cpu time spent up to now is 108.0 secs Computing kpt #: 130 total cpu time spent up to now is 109.1 secs Computing kpt #: 131 total cpu time spent up to now is 110.1 secs Computing kpt #: 132 total cpu time spent up to now is 111.2 secs Computing kpt #: 133 total cpu time spent up to now is 112.1 secs Computing kpt #: 134 total cpu time spent up to now is 113.0 secs Computing kpt #: 135 total cpu time spent up to now is 113.9 secs Computing kpt #: 136 total cpu time spent up to now is 114.7 secs Computing kpt #: 137 total cpu time spent up to now is 115.5 secs Computing kpt #: 138 total cpu time spent up to now is 116.2 secs Computing kpt #: 139 total cpu time spent up to now is 116.9 secs Computing kpt #: 140 total cpu time spent up to now is 117.6 secs Computing kpt #: 141 total cpu time spent up to now is 118.3 secs Computing kpt #: 142 total cpu time spent up to now is 119.1 secs Computing kpt #: 143 total cpu time spent up to now is 119.8 secs Computing kpt #: 144 total cpu time spent up to now is 120.5 secs Computing kpt #: 145 total cpu time spent up to now is 121.2 secs Computing kpt #: 146 total cpu time spent up to now is 121.9 secs Computing kpt #: 147 total cpu time spent up to now is 122.6 secs Computing kpt #: 148 total cpu time spent up to now is 123.4 secs Computing kpt #: 149 total cpu time spent up to now is 124.1 secs Computing kpt #: 150 total cpu time spent up to now is 124.8 secs Computing kpt #: 151 total cpu time spent up to now is 125.5 secs Computing kpt #: 152 total cpu time spent up to now is 126.3 secs Computing kpt #: 153 total cpu time spent up to now is 127.0 secs Computing kpt #: 154 total cpu time spent up to now is 127.7 secs Computing kpt #: 155 total cpu time spent up to now is 128.5 secs Computing kpt #: 156 total cpu time spent up to now is 129.2 secs Computing kpt #: 157 total cpu time spent up to now is 129.9 secs Computing kpt #: 158 total cpu time spent up to now is 130.7 secs Computing kpt #: 159 total cpu time spent up to now is 131.4 secs Computing kpt #: 160 total cpu time spent up to now is 132.1 secs Computing kpt #: 161 total cpu time spent up to now is 132.8 secs Computing kpt #: 162 total cpu time spent up to now is 133.5 secs Computing kpt #: 163 total cpu time spent up to now is 134.3 secs Computing kpt #: 164 total cpu time spent up to now is 135.2 secs Computing kpt #: 165 total cpu time spent up to now is 135.9 secs Computing kpt #: 166 total cpu time spent up to now is 136.5 secs Computing kpt #: 167 total cpu time spent up to now is 137.1 secs Computing kpt #: 168 total cpu time spent up to now is 137.7 secs Computing kpt #: 169 total cpu time spent up to now is 138.3 secs Computing kpt #: 170 total cpu time spent up to now is 138.8 secs Computing kpt #: 171 total cpu time spent up to now is 139.4 secs Computing kpt #: 172 total cpu time spent up to now is 139.9 secs Computing kpt #: 173 total cpu time spent up to now is 140.4 secs Computing kpt #: 174 total cpu time spent up to now is 141.0 secs Computing kpt #: 175 total cpu time spent up to now is 141.5 secs Computing kpt #: 176 total cpu time spent up to now is 142.0 secs Computing kpt #: 177 total cpu time spent up to now is 142.5 secs Computing kpt #: 178 total cpu time spent up to now is 143.1 secs Computing kpt #: 179 total cpu time spent up to now is 143.6 secs Computing kpt #: 180 total cpu time spent up to now is 144.1 secs Computing kpt #: 181 total cpu time spent up to now is 144.6 secs Computing kpt #: 182 total cpu time spent up to now is 145.2 secs Computing kpt #: 183 total cpu time spent up to now is 145.7 secs Computing kpt #: 184 total cpu time spent up to now is 146.2 secs Computing kpt #: 185 total cpu time spent up to now is 146.7 secs Computing kpt #: 186 total cpu time spent up to now is 147.3 secs Computing kpt #: 187 total cpu time spent up to now is 147.8 secs Computing kpt #: 188 total cpu time spent up to now is 148.3 secs Computing kpt #: 189 total cpu time spent up to now is 148.9 secs Computing kpt #: 190 total cpu time spent up to now is 149.4 secs Computing kpt #: 191 total cpu time spent up to now is 149.9 secs Computing kpt #: 192 total cpu time spent up to now is 150.4 secs Computing kpt #: 193 total cpu time spent up to now is 151.0 secs Computing kpt #: 194 total cpu time spent up to now is 151.5 secs Computing kpt #: 195 total cpu time spent up to now is 152.0 secs Computing kpt #: 196 total cpu time spent up to now is 152.5 secs Computing kpt #: 197 total cpu time spent up to now is 153.0 secs Computing kpt #: 198 total cpu time spent up to now is 153.6 secs Computing kpt #: 199 total cpu time spent up to now is 154.1 secs Computing kpt #: 200 total cpu time spent up to now is 154.6 secs Computing kpt #: 201 total cpu time spent up to now is 155.1 secs Computing kpt #: 202 total cpu time spent up to now is 155.7 secs Computing kpt #: 203 total cpu time spent up to now is 156.2 secs Computing kpt #: 204 total cpu time spent up to now is 156.8 secs Computing kpt #: 205 total cpu time spent up to now is 157.3 secs Computing kpt #: 206 total cpu time spent up to now is 157.9 secs Computing kpt #: 207 total cpu time spent up to now is 158.5 secs Computing kpt #: 208 total cpu time spent up to now is 159.1 secs Computing kpt #: 209 total cpu time spent up to now is 159.9 secs Computing kpt #: 210 total cpu time spent up to now is 160.6 secs Computing kpt #: 211 total cpu time spent up to now is 161.4 secs Computing kpt #: 212 total cpu time spent up to now is 162.1 secs Computing kpt #: 213 total cpu time spent up to now is 162.8 secs Computing kpt #: 214 total cpu time spent up to now is 163.4 secs Computing kpt #: 215 total cpu time spent up to now is 163.9 secs Computing kpt #: 216 total cpu time spent up to now is 164.5 secs Computing kpt #: 217 total cpu time spent up to now is 165.1 secs Computing kpt #: 218 total cpu time spent up to now is 165.7 secs Computing kpt #: 219 total cpu time spent up to now is 166.3 secs Computing kpt #: 220 total cpu time spent up to now is 166.9 secs Computing kpt #: 221 total cpu time spent up to now is 167.5 secs Computing kpt #: 222 total cpu time spent up to now is 168.0 secs Computing kpt #: 223 total cpu time spent up to now is 168.6 secs Computing kpt #: 224 total cpu time spent up to now is 169.2 secs Computing kpt #: 225 total cpu time spent up to now is 169.8 secs Computing kpt #: 226 total cpu time spent up to now is 170.3 secs Computing kpt #: 227 total cpu time spent up to now is 170.9 secs Computing kpt #: 228 total cpu time spent up to now is 171.5 secs Computing kpt #: 229 total cpu time spent up to now is 172.1 secs Computing kpt #: 230 total cpu time spent up to now is 172.6 secs Computing kpt #: 231 total cpu time spent up to now is 173.2 secs Computing kpt #: 232 total cpu time spent up to now is 173.8 secs Computing kpt #: 233 total cpu time spent up to now is 174.4 secs Computing kpt #: 234 total cpu time spent up to now is 175.1 secs Computing kpt #: 235 total cpu time spent up to now is 175.8 secs Computing kpt #: 236 total cpu time spent up to now is 176.4 secs Computing kpt #: 237 total cpu time spent up to now is 177.1 secs Computing kpt #: 238 total cpu time spent up to now is 177.7 secs Computing kpt #: 239 total cpu time spent up to now is 178.3 secs Computing kpt #: 240 total cpu time spent up to now is 178.9 secs Computing kpt #: 241 total cpu time spent up to now is 179.5 secs Computing kpt #: 242 total cpu time spent up to now is 180.1 secs Computing kpt #: 243 total cpu time spent up to now is 180.7 secs Computing kpt #: 244 total cpu time spent up to now is 181.2 secs Computing kpt #: 245 total cpu time spent up to now is 181.8 secs Computing kpt #: 246 total cpu time spent up to now is 182.4 secs Computing kpt #: 247 total cpu time spent up to now is 183.0 secs Computing kpt #: 248 total cpu time spent up to now is 183.6 secs Computing kpt #: 249 total cpu time spent up to now is 184.2 secs Computing kpt #: 250 total cpu time spent up to now is 184.8 secs Computing kpt #: 251 total cpu time spent up to now is 185.5 secs Computing kpt #: 252 total cpu time spent up to now is 186.2 secs Computing kpt #: 253 total cpu time spent up to now is 187.0 secs Computing kpt #: 254 total cpu time spent up to now is 187.6 secs Computing kpt #: 255 total cpu time spent up to now is 188.2 secs Computing kpt #: 256 total cpu time spent up to now is 188.8 secs Computing kpt #: 257 total cpu time spent up to now is 189.6 secs Computing kpt #: 258 total cpu time spent up to now is 190.4 secs Computing kpt #: 259 total cpu time spent up to now is 190.9 secs Computing kpt #: 260 total cpu time spent up to now is 191.4 secs Computing kpt #: 261 total cpu time spent up to now is 192.0 secs Computing kpt #: 262 total cpu time spent up to now is 192.5 secs Computing kpt #: 263 total cpu time spent up to now is 193.0 secs Computing kpt #: 264 total cpu time spent up to now is 193.5 secs Computing kpt #: 265 total cpu time spent up to now is 194.1 secs Computing kpt #: 266 total cpu time spent up to now is 194.6 secs Computing kpt #: 267 total cpu time spent up to now is 195.1 secs Computing kpt #: 268 total cpu time spent up to now is 195.6 secs Computing kpt #: 269 total cpu time spent up to now is 196.2 secs Computing kpt #: 270 total cpu time spent up to now is 196.7 secs Computing kpt #: 271 total cpu time spent up to now is 197.2 secs Computing kpt #: 272 total cpu time spent up to now is 197.7 secs Computing kpt #: 273 total cpu time spent up to now is 198.3 secs Computing kpt #: 274 total cpu time spent up to now is 198.8 secs Computing kpt #: 275 total cpu time spent up to now is 199.3 secs ethr = 2.38E-08, avg # of iterations = 25.4 total cpu time spent up to now is 199.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7153 PWs) bands (ev): -16.1640 -16.1640 -15.8375 -15.8375 -15.8375 -15.8375 -12.3522 -12.3522 -1.3197 -1.3197 -0.9049 -0.9049 -0.9049 -0.9049 -0.3199 -0.3199 -0.1255 -0.1255 -0.1255 -0.1255 -0.0430 -0.0430 -0.0430 -0.0430 1.5949 1.5949 1.8386 1.8386 1.8386 1.8386 2.9194 2.9194 2.9194 2.9194 2.9479 2.9479 3.2048 3.2048 3.4341 3.4341 3.4341 3.4341 7.8688 7.8688 11.7862 11.7862 11.7862 11.7862 14.5552 14.5552 k = 0.0000 0.0139-0.0000 ( 7153 PWs) bands (ev): -16.1638 -16.1638 -15.8375 -15.8375 -15.8375 -15.8375 -12.3523 -12.3523 -1.3199 -1.3199 -0.9051 -0.9051 -0.9050 -0.9050 -0.3213 -0.3213 -0.1313 -0.1313 -0.1238 -0.1238 -0.0427 -0.0427 -0.0403 -0.0403 1.5961 1.5961 1.8383 1.8383 1.8406 1.8406 2.9193 2.9193 2.9195 2.9195 2.9478 2.9478 3.2043 3.2043 3.4328 3.4328 3.4338 3.4338 7.8724 7.8724 11.7876 11.7876 11.7890 11.7890 14.5484 14.5546 k = 0.0000 0.0278-0.0000 ( 7172 PWs) bands (ev): -16.1631 -16.1631 -15.8376 -15.8376 -15.8374 -15.8374 -12.3525 -12.3525 -1.3208 -1.3208 -0.9059 -0.9059 -0.9055 -0.9055 -0.3254 -0.3254 -0.1471 -0.1471 -0.1190 -0.1190 -0.0417 -0.0417 -0.0337 -0.0337 1.5995 1.5995 1.8374 1.8374 1.8467 1.8467 2.9187 2.9187 2.9196 2.9196 2.9477 2.9477 3.2028 3.2028 3.4288 3.4288 3.4328 3.4328 7.8832 7.8832 11.7920 11.7920 11.7975 11.7975 14.5435 14.5444 k = 0.0000 0.0417-0.0000 ( 7172 PWs) bands (ev): -16.1621 -16.1621 -15.8378 -15.8378 -15.8374 -15.8374 -12.3528 -12.3528 -1.3222 -1.3222 -0.9072 -0.9072 -0.9063 -0.9063 -0.3318 -0.3318 -0.1700 -0.1700 -0.1117 -0.1117 -0.0399 -0.0399 -0.0257 -0.0257 1.6046 1.6046 1.8358 1.8358 1.8572 1.8572 2.9178 2.9178 2.9198 2.9198 2.9475 2.9475 3.2002 3.2002 3.4223 3.4223 3.4312 3.4312 7.9010 7.9010 11.7991 11.7991 11.8114 11.8114 14.5363 14.5364 k = 0.0000 0.0556-0.0000 ( 7172 PWs) bands (ev): -16.1607 -16.1607 -15.8380 -15.8380 -15.8374 -15.8374 -12.3532 -12.3532 -1.3243 -1.3243 -0.9090 -0.9090 -0.9075 -0.9075 -0.3399 -0.3399 -0.1984 -0.1984 -0.1027 -0.1027 -0.0369 -0.0369 -0.0174 -0.0174 1.6105 1.6105 1.8337 1.8337 1.8722 1.8722 2.9164 2.9164 2.9201 2.9201 2.9473 2.9473 3.1966 3.1966 3.4134 3.4134 3.4290 3.4290 7.9258 7.9258 11.8091 11.8091 11.8308 11.8308 14.5263 14.5263 k = 0.0000 0.0694-0.0000 ( 7196 PWs) bands (ev): -16.1588 -16.1588 -15.8384 -15.8384 -15.8373 -15.8373 -12.3538 -12.3538 -1.3269 -1.3269 -0.9115 -0.9115 -0.9089 -0.9089 -0.3492 -0.3492 -0.2311 -0.2311 -0.0931 -0.0931 -0.0321 -0.0321 -0.0093 -0.0093 1.6167 1.6167 1.8309 1.8309 1.8918 1.8918 2.9146 2.9146 2.9204 2.9204 2.9472 2.9472 3.1918 3.1918 3.4024 3.4024 3.4262 3.4262 7.9574 7.9574 11.8219 11.8219 11.8554 11.8554 14.5139 14.5139 k = 0.0000 0.0833-0.0000 ( 7208 PWs) bands (ev): -16.1566 -16.1566 -15.8388 -15.8388 -15.8373 -15.8373 -12.3545 -12.3545 -1.3302 -1.3302 -0.9146 -0.9146 -0.9107 -0.9107 -0.3593 -0.3593 -0.2672 -0.2672 -0.0843 -0.0843 -0.0247 -0.0247 -0.0014 -0.0014 1.6223 1.6223 1.8275 1.8275 1.9162 1.9162 2.9122 2.9122 2.9207 2.9207 2.9472 2.9472 3.1858 3.1858 3.3897 3.3897 3.4229 3.4229 7.9957 7.9957 11.8373 11.8373 11.8850 11.8850 14.4992 14.4993 k = 0.0000 0.0972-0.0000 ( 7216 PWs) bands (ev): -16.1540 -16.1540 -15.8393 -15.8393 -15.8372 -15.8372 -12.3553 -12.3553 -1.3341 -1.3341 -0.9186 -0.9186 -0.9127 -0.9127 -0.3699 -0.3699 -0.3059 -0.3059 -0.0772 -0.0772 -0.0141 -0.0141 0.0065 0.0065 1.6269 1.6269 1.8234 1.8234 1.9448 1.9448 2.9092 2.9092 2.9211 2.9211 2.9473 2.9473 3.1784 3.1784 3.3755 3.3755 3.4192 3.4192 8.0403 8.0403 11.8554 11.8554 11.9192 11.9192 14.4826 14.4826 k = 0.0000 0.1111-0.0000 ( 7232 PWs) bands (ev): -16.1510 -16.1510 -15.8398 -15.8398 -15.8372 -15.8372 -12.3562 -12.3562 -1.3388 -1.3388 -0.9234 -0.9234 -0.9151 -0.9151 -0.3806 -0.3806 -0.3466 -0.3466 -0.0721 -0.0721 -0.0003 -0.0003 0.0143 0.0143 1.6303 1.6303 1.8186 1.8186 1.9773 1.9773 2.9056 2.9056 2.9214 2.9214 2.9475 2.9475 3.1695 3.1695 3.3604 3.3604 3.4150 3.4150 8.0912 8.0912 11.8759 11.8759 11.9576 11.9576 14.4643 14.4643 k = 0.0000 0.1250-0.0000 ( 7232 PWs) bands (ev): -16.1477 -16.1477 -15.8405 -15.8405 -15.8371 -15.8371 -12.3572 -12.3572 -1.3442 -1.3442 -0.9293 -0.9293 -0.9177 -0.9177 -0.3914 -0.3914 -0.3882 -0.3882 -0.0685 -0.0685 0.0162 0.0162 0.0223 0.0223 1.6325 1.6325 1.8132 1.8132 2.0129 2.0129 2.9016 2.9016 2.9217 2.9217 2.9479 2.9479 3.1590 3.1590 3.3449 3.3449 3.4106 3.4106 8.1479 8.1479 11.8988 11.8988 11.9998 11.9998 14.4446 14.4446 k = 0.0000 0.1389-0.0000 ( 7232 PWs) bands (ev): -16.1440 -16.1440 -15.8412 -15.8412 -15.8370 -15.8370 -12.3582 -12.3582 -1.3504 -1.3504 -0.9364 -0.9364 -0.9205 -0.9205 -0.4300 -0.4300 -0.4020 -0.4020 -0.0661 -0.0661 0.0306 0.0306 0.0347 0.0347 1.6333 1.6333 1.8070 1.8070 2.0509 2.0509 2.8970 2.8970 2.9219 2.9219 2.9483 2.9483 3.1465 3.1465 3.3294 3.3294 3.4059 3.4059 8.2102 8.2102 11.9240 11.9240 12.0452 12.0452 14.4238 14.4238 k = 0.0000 0.1528-0.0000 ( 7232 PWs) bands (ev): -16.1400 -16.1400 -15.8421 -15.8421 -15.8369 -15.8369 -12.3594 -12.3594 -1.3576 -1.3576 -0.9450 -0.9450 -0.9236 -0.9236 -0.4712 -0.4712 -0.4124 -0.4124 -0.0644 -0.0644 0.0391 0.0391 0.0547 0.0547 1.6330 1.6330 1.8000 1.8000 2.0907 2.0907 2.8919 2.8919 2.9220 2.9220 2.9488 2.9488 3.1321 3.1321 3.3146 3.3146 3.4010 3.4010 8.2779 8.2779 11.9512 11.9512 12.0931 12.0931 14.4022 14.4022 k = 0.0000 0.1667-0.0000 ( 7224 PWs) bands (ev): -16.1357 -16.1357 -15.8430 -15.8430 -15.8368 -15.8368 -12.3607 -12.3607 -1.3657 -1.3657 -0.9552 -0.9552 -0.9270 -0.9270 -0.5109 -0.5109 -0.4225 -0.4225 -0.0632 -0.0632 0.0480 0.0480 0.0759 0.0759 1.6316 1.6316 1.7924 1.7924 2.1316 2.1316 2.8865 2.8865 2.9219 2.9219 2.9493 2.9493 3.1156 3.1156 3.3007 3.3007 3.3961 3.3961 8.3504 8.3504 11.9804 11.9804 12.1426 12.1426 14.3800 14.3800 k = 0.0000 0.1806-0.0000 ( 7236 PWs) bands (ev): -16.1312 -16.1312 -15.8441 -15.8441 -15.8367 -15.8367 -12.3620 -12.3620 -1.3748 -1.3748 -0.9673 -0.9673 -0.9305 -0.9305 -0.5483 -0.5483 -0.4322 -0.4322 -0.0623 -0.0623 0.0572 0.0572 0.0979 0.0979 1.6293 1.6293 1.7839 1.7839 2.1729 2.1729 2.8807 2.8807 2.9216 2.9216 2.9497 2.9497 3.0972 3.0972 3.2882 3.2882 3.3912 3.3912 8.4276 8.4276 12.0113 12.0113 12.1929 12.1929 14.3575 14.3575 k = 0.0000 0.1944-0.0000 ( 7244 PWs) bands (ev): -16.1263 -16.1263 -15.8452 -15.8452 -15.8366 -15.8366 -12.3633 -12.3633 -1.3852 -1.3852 -0.9814 -0.9814 -0.9342 -0.9342 -0.5828 -0.5828 -0.4416 -0.4416 -0.0616 -0.0616 0.0667 0.0667 0.1206 0.1206 1.6261 1.6261 1.7748 1.7748 2.2140 2.2140 2.8747 2.8747 2.9211 2.9211 2.9500 2.9500 3.0772 3.0772 3.2772 3.2772 3.3864 3.3864 8.5091 8.5091 12.0438 12.0438 12.2427 12.2427 14.3350 14.3350 k = 0.0000 0.2083-0.0000 ( 7244 PWs) bands (ev): -16.1213 -16.1213 -15.8465 -15.8465 -15.8365 -15.8365 -12.3647 -12.3647 -1.3969 -1.3969 -0.9974 -0.9974 -0.9381 -0.9381 -0.6138 -0.6138 -0.4504 -0.4504 -0.0610 -0.0610 0.0766 0.0766 0.1438 0.1438 1.6220 1.6220 1.7648 1.7648 2.2546 2.2546 2.8684 2.8684 2.9202 2.9202 2.9503 2.9503 3.0558 3.0558 3.2676 3.2676 3.3818 3.3818 8.5945 8.5945 12.0776 12.0776 12.2910 12.2910 14.3126 14.3126 k = 0.0000 0.2222-0.0000 ( 7236 PWs) bands (ev): -16.1160 -16.1160 -15.8479 -15.8479 -15.8364 -15.8364 -12.3662 -12.3662 -1.4099 -1.4099 -1.0152 -1.0152 -0.9420 -0.9420 -0.6410 -0.6410 -0.4589 -0.4589 -0.0606 -0.0606 0.0868 0.0868 0.1674 0.1674 1.6173 1.6173 1.7542 1.7542 2.2941 2.2941 2.8619 2.8619 2.9188 2.9188 2.9503 2.9503 3.0337 3.0337 3.2595 3.2595 3.3773 3.3773 8.6834 8.6834 12.1125 12.1125 12.3362 12.3362 14.2906 14.2906 k = 0.0000 0.2361-0.0000 ( 7236 PWs) bands (ev): -16.1106 -16.1106 -15.8494 -15.8494 -15.8363 -15.8363 -12.3676 -12.3676 -1.4245 -1.4245 -1.0344 -1.0344 -0.9461 -0.9461 -0.6644 -0.6644 -0.4669 -0.4669 -0.0602 -0.0602 0.0974 0.0974 0.1914 0.1914 1.6120 1.6120 1.7428 1.7428 2.3321 2.3321 2.8553 2.8553 2.9169 2.9169 2.9502 2.9502 3.0115 3.0115 3.2528 3.2528 3.3732 3.3732 8.7754 8.7754 12.1483 12.1483 12.3771 12.3771 14.2690 14.2690 k = 0.0000 0.2500-0.0000 ( 7268 PWs) bands (ev): -16.1050 -16.1050 -15.8510 -15.8510 -15.8361 -15.8361 -12.3691 -12.3691 -1.4406 -1.4406 -1.0544 -1.0544 -0.9502 -0.9502 -0.6841 -0.6841 -0.4744 -0.4744 -0.0599 -0.0599 0.1081 0.1081 0.2155 0.2155 1.6060 1.6060 1.7308 1.7308 2.3683 2.3683 2.8487 2.8487 2.9140 2.9140 2.9499 2.9499 2.9900 2.9900 3.2472 3.2472 3.3695 3.3695 8.8702 8.8702 12.1848 12.1848 12.4121 12.4121 14.2481 14.2481 k = 0.0000 0.2639-0.0000 ( 7256 PWs) bands (ev): -16.0993 -16.0993 -15.8527 -15.8527 -15.8360 -15.8360 -12.3706 -12.3706 -1.4582 -1.4582 -1.0747 -1.0747 -0.9543 -0.9543 -0.7005 -0.7005 -0.4814 -0.4814 -0.0597 -0.0597 0.1191 0.1191 0.2397 0.2397 1.5996 1.5996 1.7181 1.7181 2.4023 2.4023 2.8421 2.8421 2.9097 2.9097 2.9494 2.9494 2.9702 2.9702 3.2427 3.2427 3.3661 3.3661 8.9673 8.9673 12.2216 12.2216 12.4400 12.4400 14.2279 14.2279 k = 0.0000 0.2778-0.0000 ( 7268 PWs) bands (ev): -16.0935 -16.0935 -15.8545 -15.8545 -15.8359 -15.8359 -12.3721 -12.3721 -1.4773 -1.4773 -1.0946 -1.0946 -0.9585 -0.9585 -0.7139 -0.7139 -0.4880 -0.4880 -0.0594 -0.0594 0.1302 0.1302 0.2639 0.2639 1.5928 1.5928 1.7049 1.7049 2.4336 2.4336 2.8356 2.8356 2.9032 2.9032 2.9487 2.9487 2.9535 2.9535 3.2391 3.2391 3.3631 3.3631 9.0662 9.0662 12.2585 12.2585 12.4596 12.4596 14.2085 14.2085 k = 0.0000 0.2917-0.0000 ( 7284 PWs) bands (ev): -16.0877 -16.0877 -15.8564 -15.8564 -15.8358 -15.8358 -12.3735 -12.3735 -1.4977 -1.4977 -1.1136 -1.1136 -0.9626 -0.9626 -0.7249 -0.7249 -0.4941 -0.4941 -0.0592 -0.0592 0.1413 0.1413 0.2879 0.2879 1.5855 1.5855 1.6913 1.6913 2.4620 2.4620 2.8291 2.8291 2.8938 2.8938 2.9410 2.9410 2.9478 2.9478 3.2365 3.2365 3.3605 3.3605 9.1665 9.1665 12.2952 12.2952 12.4702 12.4702 14.1901 14.1901 k = 0.0000 0.3056-0.0000 ( 7268 PWs) bands (ev): -16.0819 -16.0819 -15.8585 -15.8585 -15.8357 -15.8357 -12.3749 -12.3749 -1.5191 -1.5191 -1.1313 -1.1313 -0.9666 -0.9666 -0.7339 -0.7339 -0.4997 -0.4997 -0.0591 -0.0591 0.1525 0.1525 0.3116 0.3116 1.5781 1.5781 1.6772 1.6772 2.4870 2.4870 2.8228 2.8228 2.8823 2.8823 2.9327 2.9327 2.9467 2.9467 3.2345 3.2345 3.3583 3.3583 9.2678 9.2678 12.3315 12.3315 12.4714 12.4714 14.1726 14.1726 k = 0.0000 0.3194-0.0000 ( 7272 PWs) bands (ev): -16.0761 -16.0761 -15.8606 -15.8606 -15.8356 -15.8356 -12.3763 -12.3763 -1.5411 -1.5411 -1.1476 -1.1476 -0.9705 -0.9705 -0.7412 -0.7412 -0.5049 -0.5049 -0.0589 -0.0589 0.1635 0.1635 0.3349 0.3349 1.5704 1.5704 1.6630 1.6630 2.5082 2.5082 2.8167 2.8167 2.8705 2.8705 2.9270 2.9270 2.9455 2.9455 3.2332 3.2332 3.3566 3.3566 9.3693 9.3693 12.3670 12.3670 12.4632 12.4632 14.1561 14.1561 k = 0.0000 0.3333-0.0000 ( 7284 PWs) bands (ev): -16.0704 -16.0704 -15.8627 -15.8627 -15.8355 -15.8355 -12.3776 -12.3776 -1.5635 -1.5635 -1.1622 -1.1622 -0.9743 -0.9743 -0.7471 -0.7471 -0.5097 -0.5097 -0.0588 -0.0588 0.1743 0.1743 0.3577 0.3577 1.5627 1.5627 1.6486 1.6486 2.5254 2.5254 2.8109 2.8109 2.8602 2.8602 2.9229 2.9229 2.9441 2.9441 3.2325 3.2325 3.3552 3.3552 9.4706 9.4706 12.4015 12.4015 12.4463 12.4463 14.1406 14.1406 k = 0.0000 0.3472-0.0000 ( 7272 PWs) bands (ev): -16.0648 -16.0648 -15.8649 -15.8649 -15.8354 -15.8354 -12.3788 -12.3788 -1.5857 -1.5857 -1.1752 -1.1752 -0.9779 -0.9779 -0.7520 -0.7520 -0.5140 -0.5140 -0.0587 -0.0587 0.1848 0.1848 0.3797 0.3797 1.5550 1.5550 1.6342 1.6342 2.5384 2.5384 2.8054 2.8054 2.8523 2.8523 2.9195 2.9195 2.9427 2.9427 3.2322 3.2322 3.3541 3.3541 9.5709 9.5709 12.4213 12.4213 12.4346 12.4346 14.1263 14.1263 k = 0.0000 0.3611-0.0000 ( 7276 PWs) bands (ev): -16.0594 -16.0594 -15.8671 -15.8671 -15.8353 -15.8353 -12.3800 -12.3800 -1.6074 -1.6074 -1.1867 -1.1867 -0.9813 -0.9813 -0.7559 -0.7559 -0.5179 -0.5179 -0.0586 -0.0586 0.1949 0.1949 0.4008 0.4008 1.5475 1.5475 1.6201 1.6201 2.5471 2.5471 2.8002 2.8002 2.8474 2.8474 2.9166 2.9166 2.9413 2.9413 3.2323 3.2323 3.3534 3.3534 9.6694 9.6694 12.3895 12.3895 12.4660 12.4660 14.1130 14.1130 k = 0.0000 0.3750-0.0000 ( 7260 PWs) bands (ev): -16.0542 -16.0542 -15.8693 -15.8693 -15.8352 -15.8352 -12.3811 -12.3811 -1.6281 -1.6281 -1.1967 -1.1967 -0.9845 -0.9845 -0.7591 -0.7591 -0.5214 -0.5214 -0.0585 -0.0585 0.2045 0.2045 0.4208 0.4208 1.5402 1.5402 1.6064 1.6064 2.5521 2.5521 2.7954 2.7954 2.8453 2.8453 2.9140 2.9140 2.9398 2.9398 3.2328 3.2328 3.3529 3.3529 9.7653 9.7653 12.3521 12.3521 12.4955 12.4955 14.1010 14.1010 k = 0.0000 0.3889-0.0000 ( 7268 PWs) bands (ev): -16.0494 -16.0494 -15.8715 -15.8715 -15.8351 -15.8351 -12.3821 -12.3821 -1.6475 -1.6475 -1.2054 -1.2054 -0.9874 -0.9874 -0.7617 -0.7617 -0.5245 -0.5245 -0.0584 -0.0584 0.2135 0.2135 0.4396 0.4396 1.5333 1.5333 1.5933 1.5933 2.5539 2.5539 2.7909 2.7909 2.8458 2.8458 2.9117 2.9117 2.9384 2.9384 3.2334 3.2334 3.3526 3.3526 9.8576 9.8576 12.3107 12.3107 12.5228 12.5228 14.0901 14.0901 k = 0.0000 0.4028-0.0000 ( 7280 PWs) bands (ev): -16.0449 -16.0449 -15.8736 -15.8736 -15.8351 -15.8351 -12.3830 -12.3830 -1.6654 -1.6654 -1.2127 -1.2127 -0.9900 -0.9900 -0.7638 -0.7638 -0.5272 -0.5272 -0.0584 -0.0584 0.2217 0.2217 0.4568 0.4568 1.5268 1.5268 1.5809 1.5809 2.5533 2.5533 2.7870 2.7870 2.8481 2.8481 2.9095 2.9095 2.9370 2.9370 3.2342 3.2342 3.3525 3.3525 9.9450 9.9450 12.2670 12.2670 12.5476 12.5476 14.0804 14.0804 k = 0.0000 0.4167-0.0000 ( 7280 PWs) bands (ev): -16.0408 -16.0408 -15.8755 -15.8755 -15.8350 -15.8350 -12.3838 -12.3838 -1.6814 -1.6814 -1.2190 -1.2190 -0.9923 -0.9923 -0.7654 -0.7654 -0.5295 -0.5295 -0.0583 -0.0583 0.2291 0.2291 0.4723 0.4723 1.5209 1.5209 1.5697 1.5697 2.5511 2.5511 2.7835 2.7835 2.8515 2.8515 2.9075 2.9075 2.9358 2.9358 3.2350 3.2350 3.3525 3.3525 10.0263 10.0263 12.2228 12.2228 12.5696 12.5696 14.0720 14.0720 k = 0.0000 0.4306-0.0000 ( 7268 PWs) bands (ev): -16.0371 -16.0371 -15.8773 -15.8773 -15.8349 -15.8349 -12.3845 -12.3845 -1.6953 -1.6953 -1.2241 -1.2241 -0.9943 -0.9943 -0.7667 -0.7667 -0.5315 -0.5315 -0.0582 -0.0582 0.2356 0.2356 0.4858 0.4858 1.5158 1.5158 1.5597 1.5597 2.5481 2.5481 2.7805 2.7805 2.8556 2.8556 2.9057 2.9057 2.9347 2.9347 3.2358 3.2358 3.3525 3.3525 10.0997 10.0997 12.1800 12.1800 12.5887 12.5887 14.0649 14.0649 k = 0.0000 0.4444-0.0000 ( 7268 PWs) bands (ev): -16.0341 -16.0341 -15.8788 -15.8788 -15.8349 -15.8349 -12.3850 -12.3850 -1.7069 -1.7069 -1.2282 -1.2282 -0.9960 -0.9960 -0.7678 -0.7678 -0.5330 -0.5330 -0.0582 -0.0582 0.2410 0.2410 0.4973 0.4973 1.5114 1.5114 1.5512 1.5512 2.5448 2.5448 2.7780 2.7780 2.8597 2.8597 2.9041 2.9041 2.9338 2.9338 3.2366 3.2366 3.3527 3.3527 10.1636 10.1636 12.1408 12.1408 12.6046 12.6046 14.0590 14.0590 k = 0.0000 0.4583-0.0000 ( 7260 PWs) bands (ev): -16.0316 -16.0316 -15.8801 -15.8801 -15.8349 -15.8349 -12.3855 -12.3855 -1.7160 -1.7160 -1.2314 -1.2314 -0.9973 -0.9973 -0.7685 -0.7685 -0.5343 -0.5343 -0.0582 -0.0582 0.2453 0.2453 0.5064 0.5064 1.5079 1.5079 1.5443 1.5443 2.5418 2.5418 2.7760 2.7760 2.8633 2.8633 2.9027 2.9027 2.9330 2.9330 3.2372 3.2372 3.3528 3.3528 10.2161 10.2161 12.1073 12.1073 12.6172 12.6172 14.0544 14.0544 k = 0.0000 0.4722-0.0000 ( 7244 PWs) bands (ev): -16.0298 -16.0298 -15.8810 -15.8810 -15.8348 -15.8348 -12.3858 -12.3858 -1.7226 -1.7226 -1.2336 -1.2336 -0.9982 -0.9982 -0.7690 -0.7690 -0.5351 -0.5351 -0.0582 -0.0582 0.2484 0.2484 0.5130 0.5130 1.5054 1.5054 1.5393 1.5393 2.5395 2.5395 2.7746 2.7746 2.8662 2.8662 2.9017 2.9017 2.9325 2.9325 3.2377 3.2377 3.3529 3.3529 10.2552 10.2552 12.0815 12.0815 12.6262 12.6262 14.0511 14.0511 k = 0.0000 0.4861-0.0000 ( 7256 PWs) bands (ev): -16.0287 -16.0287 -15.8816 -15.8816 -15.8348 -15.8348 -12.3860 -12.3860 -1.7267 -1.7267 -1.2349 -1.2349 -0.9988 -0.9988 -0.7693 -0.7693 -0.5357 -0.5357 -0.0581 -0.0581 0.2503 0.2503 0.5170 0.5170 1.5038 1.5038 1.5362 1.5362 2.5380 2.5380 2.7738 2.7738 2.8681 2.8681 2.9010 2.9010 2.9321 2.9321 3.2380 3.2380 3.3530 3.3530 10.2795 10.2795 12.0652 12.0652 12.6317 12.6317 14.0491 14.0491 k = 0.0000 0.5000-0.0000 ( 7256 PWs) bands (ev): -16.0283 -16.0283 -15.8818 -15.8818 -15.8348 -15.8348 -12.3860 -12.3860 -1.7280 -1.7280 -1.2353 -1.2353 -0.9990 -0.9990 -0.7694 -0.7694 -0.5358 -0.5358 -0.0581 -0.0581 0.2509 0.2509 0.5184 0.5184 1.5033 1.5033 1.5352 1.5352 2.5374 2.5374 2.7735 2.7735 2.8687 2.8687 2.9007 2.9007 2.9320 2.9320 3.2381 3.2381 3.3530 3.3530 10.2877 10.2877 12.0596 12.0596 12.6335 12.6335 14.0485 14.0485 k = 0.0000 0.5000-0.0000 ( 7256 PWs) bands (ev): -16.0283 -16.0283 -15.8818 -15.8818 -15.8348 -15.8348 -12.3860 -12.3860 -1.7280 -1.7280 -1.2353 -1.2353 -0.9990 -0.9990 -0.7694 -0.7694 -0.5358 -0.5358 -0.0581 -0.0581 0.2509 0.2509 0.5184 0.5184 1.5033 1.5033 1.5352 1.5352 2.5374 2.5374 2.7735 2.7735 2.8687 2.8687 2.9007 2.9007 2.9320 2.9320 3.2381 3.2381 3.3530 3.3530 10.2877 10.2877 12.0596 12.0596 12.6335 12.6335 14.0485 14.0485 k = 0.0139 0.5000-0.0000 ( 7256 PWs) bands (ev): -16.0282 -16.0282 -15.8818 -15.8818 -15.8348 -15.8348 -12.3860 -12.3860 -1.7280 -1.7280 -1.2355 -1.2355 -0.9994 -0.9994 -0.7697 -0.7697 -0.5362 -0.5362 -0.0611 -0.0611 0.2501 0.2501 0.5175 0.5175 1.5036 1.5036 1.5355 1.5355 2.5381 2.5381 2.7743 2.7743 2.8629 2.8629 2.9061 2.9061 2.9372 2.9372 3.2380 3.2380 3.3527 3.3527 10.2888 10.2888 12.0622 12.0622 12.6356 12.6356 14.0481 14.0481 k = 0.0278 0.5000-0.0000 ( 7258 PWs) bands (ev): -16.0277 -16.0277 -15.8817 -15.8817 -15.8349 -15.8349 -12.3860 -12.3860 -1.7280 -1.7280 -1.2361 -1.2361 -1.0006 -1.0006 -0.7707 -0.7707 -0.5372 -0.5372 -0.0700 -0.0700 0.2476 0.2476 0.5148 0.5148 1.5044 1.5044 1.5366 1.5366 2.5402 2.5402 2.7768 2.7768 2.8534 2.8534 2.9123 2.9123 2.9546 2.9546 3.2376 3.2376 3.3517 3.3517 10.2920 10.2920 12.0699 12.0699 12.6418 12.6418 14.0467 14.0467 k = 0.0417 0.5000-0.0000 ( 7274 PWs) bands (ev): -16.0269 -16.0269 -15.8815 -15.8815 -15.8350 -15.8350 -12.3860 -12.3860 -1.7281 -1.7281 -1.2370 -1.2370 -1.0027 -1.0027 -0.7723 -0.7723 -0.5388 -0.5388 -0.0845 -0.0845 0.2435 0.2435 0.5105 0.5105 1.5057 1.5057 1.5383 1.5383 2.5435 2.5435 2.7808 2.7808 2.8456 2.8456 2.9154 2.9154 2.9825 2.9825 3.2369 3.2369 3.3500 3.3500 10.2974 10.2974 12.0827 12.0827 12.6522 12.6522 14.0439 14.0439 k = 0.0556 0.5000-0.0000 ( 7274 PWs) bands (ev): -16.0258 -16.0258 -15.8812 -15.8812 -15.8352 -15.8352 -12.3860 -12.3860 -1.7282 -1.7282 -1.2382 -1.2382 -1.0056 -1.0056 -0.7746 -0.7746 -0.5411 -0.5411 -0.1041 -0.1041 0.2377 0.2377 0.5046 0.5046 1.5075 1.5075 1.5407 1.5407 2.5481 2.5481 2.7865 2.7865 2.8410 2.8410 2.9173 2.9173 3.0170 3.0170 3.2360 3.2360 3.3478 3.3478 10.3048 10.3048 12.1004 12.1004 12.6669 12.6669 14.0391 14.0391 k = 0.0694 0.5000-0.0000 ( 7272 PWs) bands (ev): -16.0244 -16.0244 -15.8809 -15.8809 -15.8354 -15.8354 -12.3861 -12.3861 -1.7283 -1.7283 -1.2399 -1.2399 -1.0094 -1.0094 -0.7774 -0.7774 -0.5440 -0.5440 -0.1285 -0.1285 0.2302 0.2302 0.4974 0.4974 1.5096 1.5096 1.5438 1.5438 2.5538 2.5538 2.7936 2.7936 2.8394 2.8394 2.9190 2.9190 3.0566 3.0566 3.2351 3.2351 3.3452 3.3452 10.3144 10.3144 12.1227 12.1227 12.6860 12.6860 14.0319 14.0319 k = 0.0833 0.5000-0.0000 ( 7284 PWs) bands (ev): -16.0227 -16.0227 -15.8806 -15.8806 -15.8356 -15.8356 -12.3861 -12.3861 -1.7285 -1.7285 -1.2420 -1.2420 -1.0142 -1.0142 -0.7808 -0.7808 -0.5476 -0.5476 -0.1569 -0.1569 0.2210 0.2210 0.4892 0.4892 1.5120 1.5120 1.5475 1.5475 2.5604 2.5604 2.8021 2.8021 2.8409 2.8409 2.9208 2.9208 3.0997 3.0997 3.2348 3.2348 3.3421 3.3421 10.3260 10.3260 12.1495 12.1495 12.7096 12.7096 14.0219 14.0219 k = 0.0972 0.5000-0.0000 ( 7276 PWs) bands (ev): -16.0207 -16.0207 -15.8802 -15.8802 -15.8359 -15.8359 -12.3861 -12.3861 -1.7287 -1.7287 -1.2445 -1.2445 -1.0200 -1.0200 -0.7846 -0.7846 -0.5518 -0.5518 -0.1885 -0.1885 0.2100 0.2100 0.4801 0.4801 1.5146 1.5146 1.5518 1.5518 2.5679 2.5679 2.8119 2.8119 2.8453 2.8453 2.9227 2.9227 3.1440 3.1440 3.2369 3.2369 3.3388 3.3388 10.3396 10.3396 12.1803 12.1803 12.7380 12.7380 14.0093 14.0093 k = 0.1111 0.5000-0.0000 ( 7268 PWs) bands (ev): -16.0185 -16.0185 -15.8797 -15.8797 -15.8363 -15.8363 -12.3861 -12.3861 -1.7290 -1.7290 -1.2474 -1.2474 -1.0268 -1.0268 -0.7890 -0.7890 -0.5566 -0.5566 -0.2227 -0.2227 0.1973 0.1973 0.4704 0.4704 1.5172 1.5172 1.5568 1.5568 2.5761 2.5761 2.8228 2.8228 2.8524 2.8524 2.9247 2.9247 3.1815 3.1815 3.2486 3.2486 3.3355 3.3355 10.3552 10.3552 12.2149 12.2149 12.7714 12.7714 13.9945 13.9945 k = 0.1250 0.5000-0.0000 ( 7278 PWs) bands (ev): -16.0160 -16.0160 -15.8791 -15.8791 -15.8367 -15.8367 -12.3861 -12.3861 -1.7294 -1.7294 -1.2507 -1.2507 -1.0348 -1.0348 -0.7938 -0.7938 -0.5621 -0.5621 -0.2585 -0.2585 0.1828 0.1828 0.4603 0.4603 1.5198 1.5198 1.5625 1.5625 2.5847 2.5847 2.8347 2.8347 2.8620 2.8620 2.9270 2.9270 3.1984 3.1984 3.2824 3.2824 3.3331 3.3331 10.3726 10.3726 12.2527 12.2527 12.8099 12.8099 13.9781 13.9781 k = 0.1389 0.5000-0.0000 ( 7274 PWs) bands (ev): -16.0132 -16.0132 -15.8786 -15.8786 -15.8371 -15.8371 -12.3861 -12.3861 -1.7300 -1.7300 -1.2545 -1.2545 -1.0441 -1.0441 -0.7989 -0.7989 -0.5683 -0.5683 -0.2950 -0.2950 0.1667 0.1667 0.4501 0.4501 1.5223 1.5223 1.5687 1.5687 2.5938 2.5938 2.8473 2.8473 2.8739 2.8739 2.9295 2.9295 3.2005 3.2005 3.3193 3.3193 3.3444 3.3444 10.3918 10.3918 12.2933 12.2933 12.8538 12.8538 13.9606 13.9606 k = 0.1528 0.5000-0.0000 ( 7278 PWs) bands (ev): -16.0102 -16.0102 -15.8779 -15.8779 -15.8376 -15.8376 -12.3861 -12.3861 -1.7307 -1.7307 -1.2588 -1.2588 -1.0546 -1.0546 -0.8044 -0.8044 -0.5753 -0.5753 -0.3315 -0.3315 0.1490 0.1490 0.4400 0.4400 1.5246 1.5246 1.5754 1.5754 2.6030 2.6030 2.8605 2.8605 2.8878 2.8878 2.9322 2.9322 3.1976 3.1976 3.3215 3.3215 3.3967 3.3967 10.4126 10.4126 12.3362 12.3362 12.9032 12.9032 13.9426 13.9426 k = 0.1667 0.5000-0.0000 ( 7274 PWs) bands (ev): -16.0070 -16.0070 -15.8773 -15.8773 -15.8382 -15.8382 -12.3861 -12.3861 -1.7316 -1.7316 -1.2635 -1.2635 -1.0666 -1.0666 -0.8101 -0.8101 -0.5832 -0.5832 -0.3669 -0.3669 0.1299 0.1299 0.4300 0.4300 1.5268 1.5268 1.5827 1.5827 2.6122 2.6122 2.8744 2.8744 2.9034 2.9034 2.9351 2.9351 3.1926 3.1926 3.3192 3.3192 3.4568 3.4568 10.4351 10.4351 12.3810 12.3810 12.9584 12.9584 13.9246 13.9246 k = 0.1806 0.5000-0.0000 ( 7298 PWs) bands (ev): -16.0036 -16.0036 -15.8766 -15.8766 -15.8388 -15.8388 -12.3861 -12.3861 -1.7327 -1.7327 -1.2688 -1.2688 -1.0799 -1.0799 -0.8161 -0.8161 -0.5922 -0.5922 -0.4004 -0.4004 0.1094 0.1094 0.4203 0.4203 1.5288 1.5288 1.5904 1.5904 2.6214 2.6214 2.8888 2.8888 2.9205 2.9205 2.9382 2.9382 3.1862 3.1862 3.3168 3.3168 3.5191 3.5191 10.4589 10.4589 12.4273 12.4273 13.0192 13.0192 13.9072 13.9072 k = 0.1944 0.5000-0.0000 ( 7286 PWs) bands (ev): -16.0000 -16.0000 -15.8758 -15.8758 -15.8395 -15.8395 -12.3861 -12.3861 -1.7341 -1.7341 -1.2746 -1.2746 -1.0947 -1.0947 -0.8224 -0.8224 -0.6026 -0.6026 -0.4310 -0.4310 0.0879 0.0879 0.4109 0.4109 1.5307 1.5307 1.5984 1.5984 2.6304 2.6304 2.9037 2.9037 2.9386 2.9386 2.9415 2.9415 3.1789 3.1789 3.3146 3.3146 3.5822 3.5822 10.4841 10.4841 12.4747 12.4747 13.0856 13.0856 13.8907 13.8907 k = 0.2083 0.5000-0.0000 ( 7290 PWs) bands (ev): -15.9962 -15.9962 -15.8751 -15.8751 -15.8403 -15.8403 -12.3861 -12.3861 -1.7358 -1.7358 -1.2808 -1.2808 -1.1109 -1.1109 -0.8289 -0.8289 -0.6145 -0.6145 -0.4580 -0.4580 0.0655 0.0655 0.4019 0.4019 1.5323 1.5323 1.6067 1.6067 2.6391 2.6391 2.9187 2.9187 2.9449 2.9449 2.9577 2.9577 3.1709 3.1709 3.3130 3.3130 3.6456 3.6456 10.5103 10.5103 12.5230 12.5230 13.1573 13.1573 13.8759 13.8759 k = 0.2222 0.5000-0.0000 ( 7298 PWs) bands (ev): -15.9923 -15.9923 -15.8743 -15.8743 -15.8411 -15.8411 -12.3861 -12.3861 -1.7379 -1.7379 -1.2876 -1.2876 -1.1283 -1.1283 -0.8357 -0.8357 -0.6279 -0.6279 -0.4810 -0.4810 0.0424 0.0424 0.3933 0.3933 1.5338 1.5338 1.6152 1.6152 2.6474 2.6474 2.9335 2.9335 2.9491 2.9491 2.9773 2.9773 3.1623 3.1623 3.3118 3.3118 3.7087 3.7087 10.5375 10.5375 12.5718 12.5718 13.2340 13.2340 13.8630 13.8630 k = 0.2361 0.5000-0.0000 ( 7310 PWs) bands (ev): -15.9883 -15.9883 -15.8735 -15.8735 -15.8420 -15.8420 -12.3861 -12.3861 -1.7404 -1.7404 -1.2949 -1.2949 -1.1468 -1.1468 -0.8426 -0.8426 -0.6426 -0.6426 -0.4997 -0.4997 0.0189 0.0189 0.3852 0.3852 1.5352 1.5352 1.6237 1.6237 2.6553 2.6553 2.9459 2.9459 2.9558 2.9558 2.9973 2.9973 3.1534 3.1534 3.3110 3.3110 3.7710 3.7710 10.5653 10.5653 12.6211 12.6211 13.3150 13.3150 13.8526 13.8526 k = 0.2500 0.5000-0.0000 ( 7312 PWs) bands (ev): -15.9842 -15.9842 -15.8727 -15.8727 -15.8429 -15.8429 -12.3861 -12.3861 -1.7434 -1.7434 -1.3028 -1.3028 -1.1660 -1.1660 -0.8498 -0.8498 -0.6580 -0.6580 -0.5145 -0.5145 -0.0048 -0.0048 0.3774 0.3774 1.5364 1.5364 1.6323 1.6323 2.6627 2.6627 2.9524 2.9524 2.9683 2.9683 3.0174 3.0174 3.1443 3.1443 3.3107 3.3107 3.8321 3.8321 10.5936 10.5936 12.6708 12.6708 13.3996 13.3996 13.8450 13.8450 k = 0.2639 0.5000-0.0000 ( 7312 PWs) bands (ev): -15.9800 -15.9800 -15.8720 -15.8720 -15.8440 -15.8440 -12.3861 -12.3861 -1.7469 -1.7469 -1.3111 -1.3111 -1.1856 -1.1856 -0.8572 -0.8572 -0.6734 -0.6734 -0.5261 -0.5261 -0.0286 -0.0286 0.3701 0.3701 1.5375 1.5375 1.6409 1.6409 2.6695 2.6695 2.9566 2.9566 2.9828 2.9828 3.0375 3.0375 3.1355 3.1355 3.3109 3.3109 3.8916 3.8916 10.6222 10.6222 12.7207 12.7207 13.4868 13.4868 13.8408 13.8408 k = 0.2778 0.5000-0.0000 ( 7304 PWs) bands (ev): -15.9758 -15.9758 -15.8712 -15.8712 -15.8451 -15.8451 -12.3862 -12.3862 -1.7511 -1.7511 -1.3199 -1.3199 -1.2053 -1.2053 -0.8647 -0.8647 -0.6881 -0.6881 -0.5350 -0.5350 -0.0522 -0.0522 0.3632 0.3632 1.5384 1.5384 1.6493 1.6493 2.6759 2.6759 2.9603 2.9603 2.9970 2.9970 3.0572 3.0572 3.1273 3.1273 3.3113 3.3113 3.9492 3.9492 10.6507 10.6507 12.7708 12.7708 13.5756 13.5756 13.8403 13.8403 k = 0.2917 0.5000-0.0000 ( 7304 PWs) bands (ev): -15.9715 -15.9715 -15.8704 -15.8704 -15.8462 -15.8462 -12.3862 -12.3862 -1.7559 -1.7559 -1.3292 -1.3292 -1.2245 -1.2245 -0.8724 -0.8724 -0.7018 -0.7018 -0.5419 -0.5419 -0.0754 -0.0754 0.3566 0.3566 1.5393 1.5393 1.6576 1.6576 2.6816 2.6816 2.9638 2.9638 3.0102 3.0102 3.0760 3.0760 3.1206 3.1206 3.3121 3.3121 4.0046 4.0046 10.6789 10.6789 12.8210 12.8210 13.6646 13.6646 13.8438 13.8438 k = 0.3056 0.5000-0.0000 ( 7292 PWs) bands (ev): -15.9672 -15.9672 -15.8697 -15.8697 -15.8475 -15.8475 -12.3862 -12.3862 -1.7614 -1.7614 -1.3387 -1.3387 -1.2430 -1.2430 -0.8800 -0.8800 -0.7142 -0.7142 -0.5472 -0.5472 -0.0980 -0.0980 0.3505 0.3505 1.5401 1.5401 1.6656 1.6656 2.6868 2.6868 2.9671 2.9671 3.0217 3.0217 3.0922 3.0922 3.1178 3.1178 3.3130 3.3130 4.0575 4.0575 10.7066 10.7066 12.8712 12.8712 13.7523 13.7523 13.8515 13.8515 k = 0.3194 0.5000-0.0000 ( 7290 PWs) bands (ev): -15.9630 -15.9630 -15.8690 -15.8690 -15.8487 -15.8487 -12.3862 -12.3862 -1.7676 -1.7676 -1.3484 -1.3484 -1.2604 -1.2604 -0.8875 -0.8875 -0.7252 -0.7252 -0.5512 -0.5512 -0.1198 -0.1198 0.3448 0.3448 1.5408 1.5408 1.6733 1.6733 2.6915 2.6915 2.9703 2.9703 3.0304 3.0304 3.1006 3.1006 3.1247 3.1247 3.3141 3.3141 4.1077 4.1077 10.7335 10.7335 12.9213 12.9213 13.8369 13.8369 13.8640 13.8640 k = 0.3333 0.5000-0.0000 ( 7286 PWs) bands (ev): -15.9588 -15.9588 -15.8683 -15.8683 -15.8501 -15.8501 -12.3862 -12.3862 -1.7744 -1.7744 -1.3580 -1.3580 -1.2766 -1.2766 -0.8948 -0.8948 -0.7348 -0.7348 -0.5541 -0.5541 -0.1408 -0.1408 0.3395 0.3395 1.5414 1.5414 1.6806 1.6806 2.6956 2.6956 2.9733 2.9733 3.0352 3.0352 3.1039 3.1039 3.1395 3.1395 3.3152 3.3152 4.1549 4.1549 10.7593 10.7593 12.9710 12.9710 13.8804 13.8804 13.9173 13.9173 k = 0.3472 0.5000-0.0000 ( 7294 PWs) bands (ev): -15.9547 -15.9547 -15.8677 -15.8677 -15.8514 -15.8514 -12.3862 -12.3862 -1.7818 -1.7818 -1.3672 -1.3672 -1.2915 -1.2915 -0.9019 -0.9019 -0.7432 -0.7432 -0.5563 -0.5563 -0.1607 -0.1607 0.3346 0.3346 1.5420 1.5420 1.6875 1.6875 2.6993 2.6993 2.9761 2.9761 3.0361 3.0361 3.1087 3.1087 3.1560 3.1560 3.3162 3.3162 4.1989 4.1989 10.7838 10.7838 13.0201 13.0201 13.9019 13.9019 13.9906 13.9906 k = 0.3611 0.5000-0.0000 ( 7298 PWs) bands (ev): -15.9508 -15.9508 -15.8671 -15.8671 -15.8528 -15.8528 -12.3862 -12.3862 -1.7896 -1.7896 -1.3758 -1.3758 -1.3052 -1.3052 -0.9085 -0.9085 -0.7505 -0.7505 -0.5577 -0.5577 -0.1794 -0.1794 0.3300 0.3300 1.5425 1.5425 1.6940 1.6940 2.7024 2.7024 2.9785 2.9785 3.0340 3.0340 3.1157 3.1157 3.1721 3.1721 3.3172 3.3172 4.2396 4.2396 10.8068 10.8068 13.0684 13.0684 13.9280 13.9280 14.0559 14.0559 k = 0.3750 0.5000-0.0000 ( 7288 PWs) bands (ev): -15.9470 -15.9470 -15.8666 -15.8666 -15.8542 -15.8542 -12.3862 -12.3862 -1.7977 -1.7977 -1.3833 -1.3833 -1.3177 -1.3177 -0.9146 -0.9146 -0.7567 -0.7567 -0.5586 -0.5586 -0.1968 -0.1968 0.3259 0.3259 1.5429 1.5429 1.7000 1.7000 2.7052 2.7052 2.9806 2.9806 3.0303 3.0303 3.1239 3.1239 3.1876 3.1876 3.3180 3.3180 4.2768 4.2768 10.8281 10.8281 13.1153 13.1153 13.9583 13.9583 14.1118 14.1118 k = 0.3889 0.5000-0.0000 ( 7300 PWs) bands (ev): -15.9434 -15.9434 -15.8661 -15.8661 -15.8556 -15.8556 -12.3862 -12.3862 -1.8057 -1.8057 -1.3897 -1.3897 -1.3292 -1.3292 -0.9203 -0.9203 -0.7620 -0.7620 -0.5591 -0.5591 -0.2128 -0.2128 0.3222 0.3222 1.5433 1.5433 1.7054 1.7054 2.7075 2.7075 2.9823 2.9823 3.0259 3.0259 3.1325 3.1325 3.2021 3.2021 3.3185 3.3185 4.3105 4.3105 10.8476 10.8476 13.1605 13.1605 13.9924 13.9924 14.1578 14.1578 k = 0.4028 0.5000-0.0000 ( 7294 PWs) bands (ev): -15.9400 -15.9400 -15.8658 -15.8658 -15.8569 -15.8569 -12.3862 -12.3862 -1.8137 -1.8137 -1.3949 -1.3949 -1.3398 -1.3398 -0.9253 -0.9253 -0.7665 -0.7665 -0.5592 -0.5592 -0.2271 -0.2271 0.3189 0.3189 1.5437 1.5437 1.7103 1.7103 2.7094 2.7094 2.9835 2.9835 3.0217 3.0217 3.1408 3.1408 3.2155 3.2155 3.3187 3.3187 4.3404 4.3404 10.8650 10.8650 13.2033 13.2033 14.0296 14.0296 14.1938 14.1938 k = 0.4167 0.5000-0.0000 ( 7298 PWs) bands (ev): -15.9369 -15.9369 -15.8655 -15.8655 -15.8581 -15.8581 -12.3862 -12.3862 -1.8211 -1.8211 -1.3986 -1.3986 -1.3495 -1.3495 -0.9297 -0.9297 -0.7703 -0.7703 -0.5591 -0.5591 -0.2398 -0.2398 0.3160 0.3160 1.5439 1.5439 1.7146 1.7146 2.7110 2.7110 2.9841 2.9841 3.0181 3.0181 3.1484 3.1484 3.2278 3.2278 3.3186 3.3186 4.3664 4.3664 10.8802 10.8802 13.2432 13.2432 14.0688 14.0688 14.2208 14.2208 k = 0.4306 0.5000-0.0000 ( 7298 PWs) bands (ev): -15.9341 -15.9341 -15.8654 -15.8654 -15.8591 -15.8591 -12.3863 -12.3863 -1.8279 -1.8279 -1.4009 -1.4009 -1.3584 -1.3584 -0.9335 -0.9335 -0.7734 -0.7734 -0.5589 -0.5589 -0.2508 -0.2508 0.3136 0.3136 1.5442 1.5442 1.7182 1.7182 2.7123 2.7123 2.9841 2.9841 3.0152 3.0152 3.1552 3.1552 3.2387 3.2387 3.3181 3.3181 4.3886 4.3886 10.8932 10.8932 13.2792 13.2792 14.1081 14.1081 14.2404 14.2404 k = 0.4444 0.5000-0.0000 ( 7298 PWs) bands (ev): -15.9318 -15.9318 -15.8654 -15.8654 -15.8600 -15.8600 -12.3863 -12.3863 -1.8338 -1.8338 -1.4020 -1.4020 -1.3664 -1.3664 -0.9366 -0.9366 -0.7759 -0.7759 -0.5586 -0.5586 -0.2599 -0.2599 0.3116 0.3116 1.5444 1.5444 1.7213 1.7213 2.7133 2.7133 2.9838 2.9838 3.0131 3.0131 3.1609 3.1609 3.2482 3.2482 3.3172 3.3172 4.4069 4.4069 10.9040 10.9040 13.3105 13.3105 14.1450 14.1450 14.2549 14.2549 k = 0.4583 0.5000-0.0000 ( 7290 PWs) bands (ev): -15.9299 -15.9299 -15.8655 -15.8655 -15.8605 -15.8605 -12.3863 -12.3863 -1.8386 -1.8386 -1.4018 -1.4018 -1.3735 -1.3735 -0.9390 -0.9390 -0.7777 -0.7777 -0.5582 -0.5582 -0.2670 -0.2670 0.3100 0.3100 1.5445 1.5445 1.7236 1.7236 2.7141 2.7141 2.9831 2.9831 3.0118 3.0118 3.1654 3.1654 3.2560 3.2560 3.3162 3.3162 4.4211 4.4211 10.9124 10.9124 13.3361 13.3361 14.1760 14.1760 14.2672 14.2672 k = 0.4722 0.5000-0.0000 ( 7290 PWs) bands (ev): -15.9284 -15.9284 -15.8657 -15.8657 -15.8609 -15.8609 -12.3863 -12.3863 -1.8421 -1.8421 -1.4007 -1.4007 -1.3796 -1.3796 -0.9407 -0.9407 -0.7791 -0.7791 -0.5580 -0.5580 -0.2721 -0.2721 0.3089 0.3089 1.5446 1.5446 1.7253 1.7253 2.7146 2.7146 2.9825 2.9825 3.0110 3.0110 3.1687 3.1687 3.2620 3.2620 3.3151 3.3151 4.4313 4.4313 10.9184 10.9184 13.3553 13.3553 14.1975 14.1975 14.2792 14.2792 k = 0.4861 0.5000-0.0000 ( 7290 PWs) bands (ev): -15.9276 -15.9276 -15.8659 -15.8659 -15.8611 -15.8611 -12.3863 -12.3863 -1.8443 -1.8443 -1.3991 -1.3991 -1.3842 -1.3842 -0.9417 -0.9417 -0.7799 -0.7799 -0.5578 -0.5578 -0.2753 -0.2753 0.3082 0.3082 1.5447 1.5447 1.7264 1.7264 2.7149 2.7149 2.9820 2.9820 3.0106 3.0106 3.1707 3.1707 3.2658 3.2658 3.3143 3.3143 4.4374 4.4374 10.9220 10.9220 13.3671 13.3671 14.2089 14.2089 14.2894 14.2894 k = 0.5000 0.5000-0.0000 ( 7316 PWs) bands (ev): -15.9273 -15.9273 -15.8660 -15.8660 -15.8611 -15.8611 -12.3863 -12.3863 -1.8450 -1.8450 -1.3982 -1.3982 -1.3861 -1.3861 -0.9421 -0.9421 -0.7801 -0.7801 -0.5577 -0.5577 -0.2763 -0.2763 0.3080 0.3080 1.5447 1.5447 1.7267 1.7267 2.7150 2.7150 2.9818 2.9818 3.0105 3.0105 3.1713 3.1713 3.2672 3.2672 3.3140 3.3140 4.4395 4.4395 10.9232 10.9232 13.3711 13.3711 14.2122 14.2122 14.2935 14.2935 k = 0.5000 0.5000-0.0000 ( 7316 PWs) bands (ev): -15.9273 -15.9273 -15.8660 -15.8660 -15.8611 -15.8611 -12.3863 -12.3863 -1.8450 -1.8450 -1.3982 -1.3982 -1.3861 -1.3861 -0.9421 -0.9421 -0.7801 -0.7801 -0.5577 -0.5577 -0.2763 -0.2763 0.3080 0.3080 1.5447 1.5447 1.7267 1.7267 2.7150 2.7150 2.9818 2.9818 3.0105 3.0105 3.1713 3.1713 3.2672 3.2672 3.3140 3.3140 4.4395 4.4395 10.9232 10.9232 13.3711 13.3711 14.2122 14.2122 14.2935 14.2935 k = 0.4900 0.4900-0.0000 ( 7291 PWs) bands (ev): -15.9276 -15.9276 -15.8659 -15.8659 -15.8611 -15.8611 -12.3863 -12.3863 -1.8443 -1.8443 -1.3991 -1.3991 -1.3841 -1.3841 -0.9417 -0.9417 -0.7798 -0.7798 -0.5578 -0.5578 -0.2752 -0.2752 0.3082 0.3082 1.5447 1.5447 1.7263 1.7263 2.7149 2.7149 2.9820 2.9820 3.0106 3.0106 3.1706 3.1706 3.2658 3.2658 3.3143 3.3143 4.4374 4.4374 10.9219 10.9219 13.3669 13.3669 14.2087 14.2087 14.2894 14.2894 k = 0.4800 0.4800-0.0000 ( 7291 PWs) bands (ev): -15.9285 -15.9285 -15.8657 -15.8657 -15.8609 -15.8609 -12.3863 -12.3863 -1.8420 -1.8420 -1.4009 -1.4009 -1.3793 -1.3793 -0.9406 -0.9406 -0.7790 -0.7790 -0.5580 -0.5580 -0.2720 -0.2720 0.3089 0.3089 1.5446 1.5446 1.7253 1.7253 2.7146 2.7146 2.9825 2.9825 3.0110 3.0110 3.1686 3.1686 3.2619 3.2619 3.3152 3.3152 4.4310 4.4310 10.9181 10.9181 13.3545 13.3545 14.1963 14.1963 14.2806 14.2806 k = 0.4700 0.4700-0.0000 ( 7293 PWs) bands (ev): -15.9300 -15.9300 -15.8654 -15.8654 -15.8606 -15.8606 -12.3863 -12.3863 -1.8382 -1.8382 -1.4024 -1.4024 -1.3728 -1.3728 -0.9389 -0.9389 -0.7777 -0.7777 -0.5583 -0.5583 -0.2667 -0.2667 0.3100 0.3100 1.5445 1.5445 1.7236 1.7236 2.7141 2.7141 2.9833 2.9833 3.0117 3.0117 3.1651 3.1651 3.2557 3.2557 3.3163 3.3163 4.4205 4.4205 10.9116 10.9116 13.3339 13.3339 14.1726 14.1726 14.2738 14.2738 k = 0.4600 0.4600-0.0000 ( 7305 PWs) bands (ev): -15.9320 -15.9320 -15.8650 -15.8650 -15.8602 -15.8602 -12.3863 -12.3863 -1.8329 -1.8329 -1.4032 -1.4032 -1.3649 -1.3649 -0.9364 -0.9364 -0.7757 -0.7757 -0.5586 -0.5586 -0.2594 -0.2594 0.3116 0.3116 1.5444 1.5444 1.7212 1.7212 2.7133 2.7133 2.9843 2.9843 3.0127 3.0127 3.1604 3.1604 3.2478 3.2478 3.3173 3.3173 4.4058 4.4058 10.9020 10.9020 13.3054 13.3054 14.1402 14.1402 14.2714 14.2714 k = 0.4500 0.4500-0.0000 ( 7291 PWs) bands (ev): -15.9346 -15.9346 -15.8645 -15.8645 -15.8597 -15.8597 -12.3862 -12.3862 -1.8261 -1.8261 -1.4032 -1.4032 -1.3558 -1.3558 -0.9333 -0.9333 -0.7732 -0.7732 -0.5589 -0.5589 -0.2501 -0.2501 0.3136 0.3136 1.5442 1.5442 1.7182 1.7182 2.7124 2.7124 2.9853 2.9853 3.0142 3.0142 3.1543 3.1543 3.2384 3.2384 3.3181 3.3181 4.3871 4.3871 10.8892 10.8892 13.2699 13.2699 14.1040 14.1040 14.2718 14.2718 k = 0.4400 0.4400-0.0000 ( 7289 PWs) bands (ev): -15.9377 -15.9377 -15.8640 -15.8640 -15.8591 -15.8591 -12.3862 -12.3862 -1.8179 -1.8179 -1.4025 -1.4025 -1.3456 -1.3456 -0.9296 -0.9296 -0.7701 -0.7701 -0.5591 -0.5591 -0.2390 -0.2390 0.3159 0.3159 1.5439 1.5439 1.7148 1.7148 2.7112 2.7112 2.9862 2.9862 3.0162 3.0162 3.1470 3.1470 3.2279 3.2279 3.3184 3.3184 4.3645 4.3645 10.8726 10.8726 13.2283 13.2283 14.0681 14.0681 14.2730 14.2730 k = 0.4300 0.4300-0.0000 ( 7303 PWs) bands (ev): -15.9412 -15.9412 -15.8635 -15.8635 -15.8584 -15.8584 -12.3862 -12.3862 -1.8083 -1.8083 -1.4010 -1.4010 -1.3343 -1.3343 -0.9252 -0.9252 -0.7664 -0.7664 -0.5593 -0.5593 -0.2263 -0.2263 0.3184 0.3184 1.5436 1.5436 1.7109 1.7109 2.7098 2.7098 2.9868 2.9868 3.0186 3.0186 3.1385 3.1385 3.2165 3.2165 3.3182 3.3182 4.3381 4.3381 10.8517 10.8517 13.1820 13.1820 14.0346 14.0346 14.2734 14.2734 k = 0.4200 0.4200-0.0000 ( 7299 PWs) bands (ev): -15.9452 -15.9452 -15.8629 -15.8629 -15.8576 -15.8576 -12.3861 -12.3861 -1.7973 -1.7973 -1.3987 -1.3987 -1.3219 -1.3219 -0.9203 -0.9203 -0.7621 -0.7621 -0.5592 -0.5592 -0.2120 -0.2120 0.3213 0.3213 1.5432 1.5432 1.7066 1.7066 2.7083 2.7083 2.9871 2.9871 3.0213 3.0213 3.1292 3.1292 3.2047 3.2047 3.3174 3.3174 4.3081 4.3081 10.8261 10.8261 13.1326 13.1326 14.0045 14.0045 14.2717 14.2717 k = 0.4100 0.4100-0.0000 ( 7303 PWs) bands (ev): -15.9496 -15.9496 -15.8623 -15.8623 -15.8567 -15.8567 -12.3860 -12.3860 -1.7849 -1.7849 -1.3957 -1.3957 -1.3086 -1.3086 -0.9149 -0.9149 -0.7570 -0.7570 -0.5588 -0.5588 -0.1964 -0.1964 0.3243 0.3243 1.5428 1.5428 1.7021 1.7021 2.7066 2.7066 2.9871 2.9871 3.0238 3.0238 3.1193 3.1193 3.1926 3.1926 3.3160 3.3160 4.2747 4.2747 10.7952 10.7952 13.0816 13.0816 13.9780 13.9780 14.2663 14.2663 k = 0.4000 0.4000-0.0000 ( 7295 PWs) bands (ev): -15.9543 -15.9543 -15.8618 -15.8618 -15.8558 -15.8558 -12.3859 -12.3859 -1.7712 -1.7712 -1.3920 -1.3920 -1.2942 -1.2942 -0.9091 -0.9091 -0.7513 -0.7513 -0.5581 -0.5581 -0.1796 -0.1796 0.3274 0.3274 1.5424 1.5424 1.6975 1.6975 2.7047 2.7047 2.9868 2.9868 3.0256 3.0256 3.1096 3.1096 3.1805 3.1805 3.3137 3.3137 4.2381 4.2381 10.7587 10.7587 13.0307 13.0307 13.9548 13.9548 14.2556 14.2556 k = 0.3900 0.3900-0.0000 ( 7303 PWs) bands (ev): -15.9594 -15.9594 -15.8612 -15.8612 -15.8549 -15.8549 -12.3858 -12.3858 -1.7564 -1.7564 -1.3874 -1.3874 -1.2790 -1.2790 -0.9027 -0.9027 -0.7448 -0.7448 -0.5571 -0.5571 -0.1619 -0.1619 0.3306 0.3306 1.5419 1.5419 1.6928 1.6928 2.7027 2.7027 2.9862 2.9862 3.0257 3.0257 3.1013 3.1013 3.1685 3.1685 3.3107 3.3107 4.1984 4.1984 10.7161 10.7161 12.9812 12.9812 13.9346 13.9346 14.2383 14.2383 k = 0.3800 0.3800-0.0000 ( 7293 PWs) bands (ev): -15.9648 -15.9648 -15.8605 -15.8605 -15.8539 -15.8539 -12.3856 -12.3856 -1.7403 -1.7403 -1.3822 -1.3822 -1.2630 -1.2630 -0.8960 -0.8960 -0.7376 -0.7376 -0.5556 -0.5556 -0.1435 -0.1435 0.3338 0.3338 1.5414 1.5414 1.6881 1.6881 2.7006 2.7006 2.9852 2.9852 3.0227 3.0227 3.0956 3.0956 3.1568 3.1568 3.3067 3.3067 4.1561 4.1561 10.6672 10.6672 12.9339 12.9339 13.9171 13.9171 14.2128 14.2128 k = 0.3700 0.3700-0.0000 ( 7291 PWs) bands (ev): -15.9704 -15.9704 -15.8599 -15.8599 -15.8529 -15.8529 -12.3853 -12.3853 -1.7233 -1.7233 -1.3761 -1.3761 -1.2463 -1.2463 -0.8888 -0.8888 -0.7297 -0.7297 -0.5536 -0.5536 -0.1245 -0.1245 0.3369 0.3369 1.5409 1.5409 1.6837 1.6837 2.6985 2.6985 2.9841 2.9841 3.0160 3.0160 3.0934 3.0934 3.1454 3.1454 3.3018 3.3018 4.1115 4.1115 10.6120 10.6120 12.8897 12.8897 13.9020 13.9020 14.1780 14.1780 k = 0.3600 0.3600-0.0000 ( 7287 PWs) bands (ev): -15.9764 -15.9764 -15.8592 -15.8592 -15.8520 -15.8520 -12.3851 -12.3851 -1.7053 -1.7053 -1.3693 -1.3693 -1.2291 -1.2291 -0.8813 -0.8813 -0.7209 -0.7209 -0.5511 -0.5511 -0.1054 -0.1054 0.3398 0.3398 1.5405 1.5405 1.6795 1.6795 2.6965 2.6965 2.9826 2.9826 3.0062 3.0062 3.0943 3.0943 3.1346 3.1346 3.2957 3.2957 4.0648 4.0648 10.5504 10.5504 12.8487 12.8487 13.8889 13.8889 14.1332 14.1332 k = 0.3500 0.3500-0.0000 ( 7283 PWs) bands (ev): -15.9826 -15.9826 -15.8585 -15.8585 -15.8511 -15.8511 -12.3847 -12.3847 -1.6865 -1.6865 -1.3617 -1.3617 -1.2113 -1.2113 -0.8734 -0.8734 -0.7114 -0.7114 -0.5480 -0.5480 -0.0863 -0.0863 0.3425 0.3425 1.5401 1.5401 1.6757 1.6757 2.6946 2.6946 2.9804 2.9804 2.9948 2.9948 3.0967 3.0967 3.1249 3.1249 3.2883 3.2883 4.0164 4.0164 10.4826 10.4826 12.8110 12.8110 13.8778 13.8778 14.0786 14.0786 k = 0.3400 0.3400-0.0000 ( 7289 PWs) bands (ev): -15.9890 -15.9890 -15.8578 -15.8578 -15.8501 -15.8501 -12.3843 -12.3843 -1.6670 -1.6670 -1.3531 -1.3531 -1.1931 -1.1931 -0.8651 -0.8651 -0.7011 -0.7011 -0.5443 -0.5443 -0.0675 -0.0675 0.3449 0.3449 1.5399 1.5399 1.6724 1.6724 2.6929 2.6929 2.9753 2.9753 2.9851 2.9851 3.0974 3.0974 3.1186 3.1186 3.2794 3.2794 3.9669 3.9669 10.4091 10.4091 12.7764 12.7764 13.8683 13.8683 14.0148 14.0148 k = 0.3300 0.3300-0.0000 ( 7289 PWs) bands (ev): -15.9956 -15.9956 -15.8571 -15.8571 -15.8492 -15.8492 -12.3839 -12.3839 -1.6470 -1.6470 -1.3436 -1.3436 -1.1748 -1.1748 -0.8565 -0.8565 -0.6900 -0.6900 -0.5399 -0.5399 -0.0493 -0.0493 0.3469 0.3469 1.5399 1.5399 1.6697 1.6697 2.6917 2.6917 2.9647 2.9647 2.9808 2.9808 3.0925 3.0925 3.1188 3.1188 3.2690 3.2690 3.9168 3.9168 10.3301 10.3301 12.7445 12.7445 13.8594 13.8594 13.9441 13.9441 k = 0.3200 0.3200-0.0000 ( 7285 PWs) bands (ev): -16.0023 -16.0023 -15.8563 -15.8563 -15.8484 -15.8484 -12.3833 -12.3833 -1.6267 -1.6267 -1.3330 -1.3330 -1.1563 -1.1563 -0.8474 -0.8474 -0.6783 -0.6783 -0.5347 -0.5347 -0.0319 -0.0319 0.3484 0.3484 1.5401 1.5401 1.6676 1.6676 2.6911 2.6911 2.9524 2.9524 2.9784 2.9784 3.0837 3.0837 3.1231 3.1231 3.2569 3.2569 3.8667 3.8667 10.2464 10.2464 12.7147 12.7147 13.8394 13.8394 13.8793 13.8793 k = 0.3100 0.3100-0.0000 ( 7281 PWs) bands (ev): -16.0092 -16.0092 -15.8556 -15.8556 -15.8475 -15.8475 -12.3827 -12.3827 -1.6063 -1.6063 -1.3214 -1.3214 -1.1378 -1.1378 -0.8378 -0.8378 -0.6658 -0.6658 -0.5287 -0.5287 -0.0158 -0.0158 0.3494 0.3494 1.5407 1.5407 1.6662 1.6662 2.6912 2.6912 2.9404 2.9404 2.9763 2.9763 3.0738 3.0738 3.1282 3.1282 3.2431 3.2431 3.8173 3.8173 10.1584 10.1584 12.6863 12.6863 13.7684 13.7684 13.8620 13.8620 k = 0.3000 0.3000-0.0000 ( 7289 PWs) bands (ev): -16.0163 -16.0163 -15.8548 -15.8548 -15.8467 -15.8467 -12.3821 -12.3821 -1.5860 -1.5860 -1.3085 -1.3085 -1.1194 -1.1194 -0.8278 -0.8278 -0.6528 -0.6528 -0.5219 -0.5219 -0.0009 -0.0009 0.3496 0.3496 1.5418 1.5418 1.6657 1.6657 2.6924 2.6924 2.9292 2.9292 2.9743 2.9743 3.0635 3.0635 3.1319 3.1319 3.2282 3.2282 3.7692 3.7692 10.0668 10.0668 12.6588 12.6588 13.6802 13.6802 13.8599 13.8599 k = 0.2900 0.2900-0.0000 ( 7289 PWs) bands (ev): -16.0234 -16.0234 -15.8540 -15.8540 -15.8460 -15.8460 -12.3813 -12.3813 -1.5661 -1.5661 -1.2943 -1.2943 -1.1013 -1.1013 -0.8173 -0.8173 -0.6393 -0.6393 -0.5140 -0.5140 0.0123 0.0123 0.3490 0.3490 1.5433 1.5433 1.6659 1.6659 2.6947 2.6947 2.9190 2.9190 2.9722 2.9722 3.0529 3.0529 3.1318 3.1318 3.2140 3.2140 3.7235 3.7235 9.9721 9.9721 12.6314 12.6314 13.5874 13.5874 13.8617 13.8617 k = 0.2800 0.2800-0.0000 ( 7277 PWs) bands (ev): -16.0306 -16.0306 -15.8532 -15.8532 -15.8452 -15.8452 -12.3805 -12.3805 -1.5468 -1.5468 -1.2787 -1.2787 -1.0836 -1.0836 -0.8061 -0.8061 -0.6254 -0.6254 -0.5049 -0.5049 0.0239 0.0239 0.3474 0.3474 1.5454 1.5454 1.6671 1.6671 2.6984 2.6984 2.9097 2.9097 2.9701 2.9701 3.0420 3.0420 3.1239 3.1239 3.2041 3.2041 3.6808 3.6808 9.8749 9.8749 12.6037 12.6037 13.4920 13.4920 13.8666 13.8666 k = 0.2700 0.2700-0.0000 ( 7287 PWs) bands (ev): -16.0378 -16.0378 -15.8523 -15.8523 -15.8445 -15.8445 -12.3796 -12.3796 -1.5282 -1.5282 -1.2617 -1.2617 -1.0663 -1.0663 -0.7943 -0.7943 -0.6115 -0.6115 -0.4946 -0.4946 0.0337 0.0337 0.3446 0.3446 1.5482 1.5482 1.6691 1.6691 2.7038 2.7038 2.9014 2.9014 2.9679 2.9679 3.0303 3.0303 3.1058 3.1058 3.2011 3.2011 3.6418 3.6418 9.7758 9.7758 12.5752 12.5752 13.3953 13.3953 13.8743 13.8743 k = 0.2600 0.2600-0.0000 ( 7287 PWs) bands (ev): -16.0451 -16.0451 -15.8515 -15.8515 -15.8439 -15.8439 -12.3786 -12.3786 -1.5105 -1.5105 -1.2434 -1.2434 -1.0496 -1.0496 -0.7817 -0.7817 -0.5975 -0.5975 -0.4830 -0.4830 0.0417 0.0417 0.3405 0.3405 1.5517 1.5517 1.6721 1.6721 2.7108 2.7108 2.8937 2.8937 2.9654 2.9654 3.0167 3.0167 3.0803 3.0803 3.2036 3.2036 3.6070 3.6070 9.6753 9.6753 12.5456 12.5456 13.2981 13.2981 13.8848 13.8848 k = 0.2500 0.2500-0.0000 ( 7275 PWs) bands (ev): -16.0523 -16.0523 -15.8507 -15.8507 -15.8433 -15.8433 -12.3776 -12.3776 -1.4939 -1.4939 -1.2239 -1.2239 -1.0335 -1.0335 -0.7682 -0.7682 -0.5837 -0.5837 -0.4698 -0.4698 0.0479 0.0479 0.3349 0.3349 1.5558 1.5558 1.6760 1.6760 2.7197 2.7197 2.8856 2.8856 2.9624 2.9624 2.9987 2.9987 3.0538 3.0538 3.2089 3.2089 3.5766 3.5766 9.5739 9.5739 12.5145 12.5145 13.2011 13.2011 13.8982 13.8982 k = 0.2400 0.2400-0.0000 ( 7285 PWs) bands (ev): -16.0595 -16.0595 -15.8498 -15.8498 -15.8427 -15.8427 -12.3765 -12.3765 -1.4784 -1.4784 -1.2033 -1.2033 -1.0182 -1.0182 -0.7537 -0.7537 -0.5702 -0.5702 -0.4552 -0.4552 0.0524 0.0524 0.3278 0.3278 1.5605 1.5605 1.6808 1.6808 2.7302 2.7302 2.8750 2.8750 2.9562 2.9562 2.9765 2.9765 3.0329 3.0329 3.2157 3.2157 3.5504 3.5504 9.4721 9.4721 12.4820 12.4820 13.1049 13.1049 13.9143 13.9143 k = 0.2300 0.2300-0.0000 ( 7287 PWs) bands (ev): -16.0667 -16.0667 -15.8490 -15.8490 -15.8421 -15.8421 -12.3753 -12.3753 -1.4640 -1.4640 -1.1820 -1.1820 -1.0036 -1.0036 -0.7380 -0.7380 -0.5572 -0.5572 -0.4390 -0.4390 0.0552 0.0552 0.3189 0.3189 1.5658 1.5658 1.6864 1.6864 2.7420 2.7420 2.8563 2.8563 2.9384 2.9384 2.9648 2.9648 3.0186 3.0186 3.2232 3.2232 3.5281 3.5281 9.3703 9.3703 12.4478 12.4478 13.0100 13.0100 13.9330 13.9330 k = 0.2200 0.2200-0.0000 ( 7279 PWs) bands (ev): -16.0737 -16.0737 -15.8482 -15.8482 -15.8416 -15.8416 -12.3741 -12.3741 -1.4506 -1.4506 -1.1601 -1.1601 -0.9899 -0.9899 -0.7208 -0.7208 -0.5445 -0.5445 -0.4215 -0.4215 0.0566 0.0566 0.3083 0.3083 1.5716 1.5716 1.6930 1.6930 2.7533 2.7533 2.8243 2.8243 2.9227 2.9227 2.9611 2.9611 3.0080 3.0080 3.2309 3.2309 3.5093 3.5093 9.2689 9.2689 12.4122 12.4122 12.9168 12.9168 13.9543 13.9543 k = 0.2100 0.2100-0.0000 ( 7283 PWs) bands (ev): -16.0807 -16.0807 -15.8474 -15.8474 -15.8411 -15.8411 -12.3728 -12.3728 -1.4382 -1.4382 -1.1381 -1.1381 -0.9772 -0.9772 -0.7020 -0.7020 -0.5322 -0.5322 -0.4028 -0.4028 0.0567 0.0567 0.2959 0.2959 1.5777 1.5777 1.7003 1.7003 2.7502 2.7502 2.7943 2.7943 2.9165 2.9165 2.9588 2.9588 2.9992 2.9992 3.2386 3.2386 3.4935 3.4935 9.1683 9.1683 12.3753 12.3753 12.8258 12.8258 13.9780 13.9780 k = 0.2000 0.2000-0.0000 ( 7267 PWs) bands (ev): -16.0875 -16.0875 -15.8466 -15.8466 -15.8407 -15.8407 -12.3715 -12.3715 -1.4268 -1.4268 -1.1163 -1.1163 -0.9654 -0.9654 -0.6815 -0.6815 -0.5202 -0.5202 -0.3832 -0.3832 0.0556 0.0556 0.2818 0.2818 1.5840 1.5840 1.7083 1.7083 2.7060 2.7060 2.7985 2.7985 2.9166 2.9166 2.9574 2.9574 2.9917 2.9917 3.2464 3.2464 3.4803 3.4803 9.0689 9.0689 12.3372 12.3372 12.7372 12.7372 14.0039 14.0039 k = 0.1900 0.1900-0.0000 ( 7279 PWs) bands (ev): -16.0941 -16.0941 -15.8458 -15.8458 -15.8403 -15.8403 -12.3702 -12.3702 -1.4162 -1.4162 -1.0950 -1.0950 -0.9547 -0.9547 -0.6591 -0.6591 -0.5084 -0.5084 -0.3629 -0.3629 0.0534 0.0534 0.2662 0.2662 1.5904 1.5904 1.7169 1.7169 2.6478 2.6478 2.8125 2.8125 2.9207 2.9207 2.9570 2.9570 2.9850 2.9850 3.2539 3.2539 3.4694 3.4694 8.9711 8.9711 12.2982 12.2982 12.6513 12.6513 14.0318 14.0318 k = 0.1800 0.1800-0.0000 ( 7279 PWs) bands (ev): -16.1006 -16.1006 -15.8451 -15.8451 -15.8399 -15.8399 -12.3688 -12.3688 -1.4063 -1.4063 -1.0745 -1.0745 -0.9452 -0.9452 -0.6347 -0.6347 -0.4967 -0.4967 -0.3421 -0.3421 0.0504 0.0504 0.2490 0.2490 1.5967 1.5967 1.7259 1.7259 2.5858 2.5858 2.8270 2.8270 2.9271 2.9271 2.9589 2.9589 2.9791 2.9791 3.2614 3.2614 3.4603 3.4603 8.8752 8.8752 12.2587 12.2587 12.5684 12.5684 14.0615 14.0615 k = 0.1700 0.1700-0.0000 ( 7269 PWs) bands (ev): -16.1069 -16.1069 -15.8443 -15.8443 -15.8396 -15.8396 -12.3675 -12.3675 -1.3971 -1.3971 -1.0550 -1.0550 -0.9367 -0.9367 -0.6083 -0.6083 -0.4849 -0.4849 -0.3211 -0.3211 0.0467 0.0467 0.2306 0.2306 1.6028 1.6028 1.7353 1.7353 2.5221 2.5221 2.8402 2.8402 2.9328 2.9328 2.9659 2.9659 2.9741 2.9741 3.2687 3.2687 3.4528 3.4528 8.7815 8.7815 12.2188 12.2188 12.4888 12.4888 14.0929 14.0929 k = 0.1600 0.1600-0.0000 ( 7265 PWs) bands (ev): -16.1129 -16.1129 -15.8436 -15.8436 -15.8393 -15.8393 -12.3661 -12.3661 -1.3885 -1.3885 -1.0367 -1.0367 -0.9294 -0.9294 -0.5800 -0.5800 -0.4730 -0.4730 -0.3001 -0.3001 0.0425 0.0425 0.2111 0.2111 1.6086 1.6086 1.7449 1.7449 2.4579 2.4579 2.8515 2.8515 2.9353 2.9353 2.9688 2.9688 2.9810 2.9810 3.2760 3.2760 3.4467 3.4467 8.6904 8.6904 12.1789 12.1789 12.4126 12.4126 14.1257 14.1257 k = 0.1500 0.1500-0.0000 ( 7257 PWs) bands (ev): -16.1187 -16.1187 -15.8429 -15.8429 -15.8390 -15.8390 -12.3647 -12.3647 -1.3804 -1.3804 -1.0197 -1.0197 -0.9232 -0.9232 -0.5502 -0.5502 -0.4607 -0.4607 -0.2794 -0.2794 0.0377 0.0377 0.1908 0.1908 1.6139 1.6139 1.7545 1.7545 2.3940 2.3940 2.8609 2.8609 2.9354 2.9354 2.9648 2.9648 3.0012 3.0012 3.2834 3.2834 3.4419 3.4419 8.6022 8.6022 12.1394 12.1394 12.3401 12.3401 14.1596 14.1597 k = 0.1400 0.1400-0.0000 ( 7245 PWs) bands (ev): -16.1242 -16.1242 -15.8423 -15.8423 -15.8388 -15.8388 -12.3633 -12.3633 -1.3729 -1.3729 -1.0040 -1.0040 -0.9180 -0.9180 -0.5192 -0.5192 -0.4479 -0.4479 -0.2591 -0.2591 0.0326 0.0326 0.1698 0.1698 1.6187 1.6187 1.7640 1.7640 2.3309 2.3309 2.8690 2.8690 2.9344 2.9344 2.9613 2.9613 3.0248 3.0248 3.2909 3.2909 3.4382 3.4382 8.5173 8.5173 12.1006 12.1006 12.2714 12.2714 14.1945 14.1945 k = 0.1300 0.1300-0.0000 ( 7243 PWs) bands (ev): -16.1294 -16.1294 -15.8416 -15.8416 -15.8386 -15.8386 -12.3620 -12.3620 -1.3659 -1.3659 -0.9896 -0.9896 -0.9138 -0.9138 -0.4880 -0.4880 -0.4338 -0.4338 -0.2395 -0.2395 0.0271 0.0271 0.1484 0.1484 1.6228 1.6228 1.7732 1.7732 2.2692 2.2692 2.8761 2.8761 2.9330 2.9330 2.9582 2.9582 3.0499 3.0499 3.2989 3.2989 3.4354 3.4354 8.4361 8.4361 12.0628 12.0628 12.2068 12.2068 14.2301 14.2301 k = 0.1200 0.1200-0.0000 ( 7241 PWs) bands (ev): -16.1343 -16.1343 -15.8411 -15.8411 -15.8384 -15.8384 -12.3607 -12.3607 -1.3593 -1.3593 -0.9765 -0.9765 -0.9106 -0.9106 -0.4585 -0.4585 -0.4170 -0.4170 -0.2208 -0.2208 0.0214 0.0214 0.1269 0.1269 1.6262 1.6262 1.7822 1.7822 2.2095 2.2095 2.8825 2.8825 2.9313 2.9313 2.9555 2.9555 3.0750 3.0750 3.3076 3.3076 3.4335 3.4335 8.3589 8.3589 12.0263 12.0263 12.1463 12.1463 14.2660 14.2660 k = 0.1100 0.1100-0.0000 ( 7251 PWs) bands (ev): -16.1388 -16.1388 -15.8405 -15.8405 -15.8382 -15.8382 -12.3595 -12.3595 -1.3533 -1.3533 -0.9646 -0.9646 -0.9081 -0.9081 -0.4339 -0.4339 -0.3946 -0.3946 -0.2031 -0.2031 0.0155 0.0155 0.1055 0.1055 1.6286 1.6286 1.7906 1.7906 2.1525 2.1525 2.8883 2.8883 2.9296 2.9296 2.9533 2.9533 3.0992 3.0992 3.3173 3.3173 3.4322 3.4322 8.2860 8.2860 11.9914 11.9914 12.0901 12.0901 14.3019 14.3019 k = 0.1000 0.1000-0.0000 ( 7235 PWs) bands (ev): -16.1431 -16.1431 -15.8400 -15.8400 -15.8381 -15.8381 -12.3583 -12.3583 -1.3476 -1.3476 -0.9539 -0.9539 -0.9063 -0.9063 -0.4154 -0.4154 -0.3659 -0.3659 -0.1866 -0.1866 0.0092 0.0092 0.0846 0.0846 1.6300 1.6300 1.7986 1.7986 2.0986 2.0986 2.8937 2.8937 2.9280 2.9280 2.9515 2.9515 3.1214 3.1214 3.3283 3.3283 3.4315 3.4315 8.2179 8.2179 11.9584 11.9584 12.0384 12.0384 14.3374 14.3374 k = 0.0900 0.0900-0.0000 ( 7239 PWs) bands (ev): -16.1469 -16.1469 -15.8395 -15.8395 -15.8379 -15.8379 -12.3573 -12.3573 -1.3425 -1.3425 -0.9444 -0.9444 -0.9051 -0.9051 -0.4004 -0.4004 -0.3340 -0.3340 -0.1716 -0.1716 0.0027 0.0027 0.0644 0.0644 1.6302 1.6302 1.8059 1.8059 2.0485 2.0485 2.8987 2.8987 2.9264 2.9264 2.9500 2.9500 3.1410 3.1410 3.3406 3.3406 3.4312 3.4312 8.1548 8.1548 11.9277 11.9277 11.9912 11.9912 14.3720 14.3720 k = 0.0800 0.0800-0.0000 ( 7233 PWs) bands (ev): -16.1505 -16.1505 -15.8391 -15.8391 -15.8378 -15.8378 -12.3563 -12.3563 -1.3379 -1.3379 -0.9359 -0.9359 -0.9044 -0.9044 -0.3869 -0.3869 -0.3014 -0.3014 -0.1583 -0.1583 -0.0041 -0.0041 0.0453 0.0453 1.6290 1.6290 1.8126 1.8126 2.0030 2.0030 2.9032 2.9032 2.9250 2.9250 2.9489 2.9489 3.1576 3.1576 3.3541 3.3541 3.4313 3.4313 8.0972 8.0972 11.8994 11.8994 11.9487 11.9487 14.4052 14.4052 k = 0.0700 0.0700-0.0000 ( 7225 PWs) bands (ev): -16.1536 -16.1536 -15.8387 -15.8387 -15.8377 -15.8377 -12.3553 -12.3553 -1.3337 -1.3337 -0.9286 -0.9286 -0.9040 -0.9040 -0.3742 -0.3742 -0.2693 -0.2693 -0.1468 -0.1468 -0.0112 -0.0112 0.0278 0.0278 1.6263 1.6263 1.8186 1.8186 1.9625 1.9625 2.9071 2.9071 2.9237 2.9237 2.9481 2.9481 3.1710 3.1710 3.3684 3.3684 3.4315 3.4315 8.0453 8.0453 11.8738 11.8738 11.9110 11.9110 14.4365 14.4365 k = 0.0600 0.0600-0.0000 ( 7209 PWs) bands (ev): -16.1563 -16.1563 -15.8384 -15.8384 -15.8377 -15.8377 -12.3545 -12.3545 -1.3300 -1.3300 -0.9222 -0.9222 -0.9039 -0.9039 -0.3622 -0.3622 -0.2387 -0.2387 -0.1375 -0.1375 -0.0187 -0.0187 0.0120 0.0120 1.6223 1.6223 1.8238 1.8238 1.9277 1.9277 2.9106 2.9106 2.9225 2.9225 2.9476 2.9476 3.1816 3.1816 3.3829 3.3829 3.4320 3.4320 7.9996 7.9996 11.8512 11.8512 11.8781 11.8781 14.4651 14.4651 k = 0.0500 0.0500-0.0000 ( 7193 PWs) bands (ev): -16.1586 -16.1586 -15.8381 -15.8381 -15.8376 -15.8376 -12.3538 -12.3538 -1.3269 -1.3269 -0.9169 -0.9169 -0.9040 -0.9040 -0.3511 -0.3511 -0.2101 -0.2101 -0.1307 -0.1307 -0.0260 -0.0260 -0.0017 -0.0017 1.6169 1.6169 1.8283 1.8283 1.8989 1.8989 2.9134 2.9134 2.9216 2.9216 2.9474 2.9474 3.1896 3.1896 3.3968 3.3968 3.4325 3.4325 7.9603 7.9603 11.8317 11.8317 11.8502 11.8502 14.4905 14.4905 k = 0.0400 0.0400-0.0000 ( 7179 PWs) bands (ev): -16.1605 -16.1605 -15.8379 -15.8379 -15.8376 -15.8376 -12.3533 -12.3533 -1.3243 -1.3243 -0.9125 -0.9125 -0.9042 -0.9042 -0.3410 -0.3410 -0.1841 -0.1841 -0.1265 -0.1265 -0.0325 -0.0325 -0.0137 -0.0137 1.6109 1.6109 1.8320 1.8320 1.8761 1.8761 2.9157 2.9157 2.9208 2.9208 2.9474 2.9474 3.1956 3.1956 3.4093 3.4093 3.4330 3.4330 7.9277 7.9277 11.8155 11.8155 11.8272 11.8272 14.5120 14.5120 k = 0.0300 0.0300-0.0000 ( 7179 PWs) bands (ev): -16.1620 -16.1620 -15.8377 -15.8377 -15.8375 -15.8375 -12.3528 -12.3528 -1.3223 -1.3223 -0.9092 -0.9092 -0.9045 -0.9045 -0.3323 -0.3323 -0.1614 -0.1614 -0.1247 -0.1247 -0.0375 -0.0375 -0.0243 -0.0243 1.6048 1.6048 1.8348 1.8348 1.8591 1.8591 2.9174 2.9174 2.9202 2.9202 2.9475 2.9475 3.1999 3.1999 3.4197 3.4197 3.4334 3.4334 7.9021 7.9021 11.8028 11.8028 11.8093 11.8093 14.5290 14.5291 k = 0.0200 0.0200-0.0000 ( 7169 PWs) bands (ev): -16.1631 -16.1631 -15.8376 -15.8376 -15.8375 -15.8375 -12.3525 -12.3525 -1.3208 -1.3208 -0.9068 -0.9068 -0.9047 -0.9047 -0.3256 -0.3256 -0.1429 -0.1429 -0.1246 -0.1246 -0.0408 -0.0408 -0.0335 -0.0335 1.5997 1.5997 1.8369 1.8369 1.8475 1.8475 2.9185 2.9185 2.9198 2.9198 2.9477 2.9477 3.2027 3.2027 3.4276 3.4276 3.4338 3.4338 7.8837 7.8837 11.7936 11.7936 11.7965 11.7965 14.5411 14.5411 k = 0.0100 0.0100-0.0000 ( 7153 PWs) bands (ev): -16.1637 -16.1637 -15.8375 -15.8375 -15.8375 -15.8375 -12.3523 -12.3523 -1.3199 -1.3199 -0.9053 -0.9053 -0.9048 -0.9048 -0.3214 -0.3214 -0.1302 -0.1302 -0.1252 -0.1252 -0.0425 -0.0425 -0.0403 -0.0403 1.5962 1.5962 1.8381 1.8381 1.8408 1.8408 2.9192 2.9192 2.9195 2.9195 2.9478 2.9478 3.2043 3.2043 3.4324 3.4324 3.4340 3.4340 7.8725 7.8725 11.7880 11.7880 11.7888 11.7888 14.5477 14.5478 k = 0.0000 0.0000 0.0000 ( 7153 PWs) bands (ev): -16.1640 -16.1640 -15.8375 -15.8375 -15.8375 -15.8375 -12.3522 -12.3522 -1.3197 -1.3197 -0.9049 -0.9049 -0.9049 -0.9049 -0.3199 -0.3199 -0.1255 -0.1255 -0.1255 -0.1255 -0.0430 -0.0430 -0.0430 -0.0430 1.5949 1.5949 1.8386 1.8386 1.8386 1.8386 2.9194 2.9194 2.9194 2.9194 2.9479 2.9479 3.2048 3.2048 3.4341 3.4341 3.4341 3.4341 7.8688 7.8688 11.7862 11.7862 11.7862 11.7862 14.5552 14.5552 k = 0.0000 0.0000 0.0000 ( 7153 PWs) bands (ev): -16.1640 -16.1640 -15.8375 -15.8375 -15.8375 -15.8375 -12.3522 -12.3522 -1.3197 -1.3197 -0.9049 -0.9049 -0.9049 -0.9049 -0.3199 -0.3199 -0.1255 -0.1255 -0.1255 -0.1255 -0.0430 -0.0430 -0.0430 -0.0430 1.5949 1.5949 1.8386 1.8386 1.8386 1.8386 2.9194 2.9194 2.9194 2.9194 2.9479 2.9479 3.2048 3.2048 3.4341 3.4341 3.4341 3.4341 7.8688 7.8688 11.7862 11.7862 11.7862 11.7862 14.5552 14.5552 k = 0.0082 0.0082 0.0082 ( 7153 PWs) bands (ev): -16.1637 -16.1637 -15.8375 -15.8375 -15.8375 -15.8375 -12.3523 -12.3523 -1.3200 -1.3200 -0.9054 -0.9054 -0.9048 -0.9048 -0.3214 -0.3214 -0.1295 -0.1295 -0.1259 -0.1259 -0.0424 -0.0424 -0.0403 -0.0403 1.5962 1.5962 1.8381 1.8381 1.8408 1.8408 2.9192 2.9192 2.9195 2.9195 2.9478 2.9478 3.2043 3.2043 3.4324 3.4324 3.4341 3.4341 7.8726 7.8726 11.7884 11.7884 11.7884 11.7884 14.5476 14.5477 k = 0.0164 0.0164 0.0164 ( 7174 PWs) bands (ev): -16.1631 -16.1631 -15.8375 -15.8375 -15.8375 -15.8375 -12.3525 -12.3525 -1.3208 -1.3208 -0.9070 -0.9070 -0.9045 -0.9045 -0.3257 -0.3257 -0.1404 -0.1404 -0.1276 -0.1276 -0.0402 -0.0402 -0.0337 -0.0337 1.5997 1.5997 1.8370 1.8370 1.8475 1.8475 2.9185 2.9185 2.9198 2.9198 2.9477 2.9477 3.2027 3.2027 3.4273 3.4273 3.4341 3.4341 7.8838 7.8838 11.7950 11.7950 11.7952 11.7952 14.5401 14.5402 k = 0.0246 0.0246 0.0246 ( 7174 PWs) bands (ev): -16.1620 -16.1620 -15.8376 -15.8376 -15.8376 -15.8376 -12.3528 -12.3528 -1.3223 -1.3223 -0.9096 -0.9096 -0.9041 -0.9041 -0.3325 -0.3325 -0.1560 -0.1560 -0.1315 -0.1315 -0.0356 -0.0356 -0.0249 -0.0249 1.6048 1.6048 1.8358 1.8358 1.8585 1.8585 2.9174 2.9174 2.9202 2.9202 2.9475 2.9475 3.1997 3.1997 3.4191 3.4191 3.4341 3.4341 7.9024 7.9024 11.8060 11.8060 11.8064 11.8064 14.5265 14.5265 k = 0.0328 0.0328 0.0328 ( 7180 PWs) bands (ev): -16.1605 -16.1605 -15.8377 -15.8377 -15.8377 -15.8377 -12.3533 -12.3533 -1.3243 -1.3243 -0.9132 -0.9132 -0.9036 -0.9036 -0.3413 -0.3413 -0.1748 -0.1748 -0.1389 -0.1389 -0.0279 -0.0279 -0.0155 -0.0155 1.6102 1.6102 1.8356 1.8356 1.8738 1.8738 2.9158 2.9158 2.9206 2.9206 2.9475 2.9475 3.1953 3.1953 3.4084 3.4084 3.4341 3.4341 7.9281 7.9281 11.8213 11.8213 11.8221 11.8221 14.5077 14.5077 k = 0.0410 0.0410 0.0410 ( 7198 PWs) bands (ev): -16.1586 -16.1586 -15.8379 -15.8379 -15.8378 -15.8378 -12.3538 -12.3538 -1.3269 -1.3269 -0.9180 -0.9180 -0.9031 -0.9031 -0.3516 -0.3516 -0.1961 -0.1961 -0.1499 -0.1499 -0.0172 -0.0172 -0.0061 -0.0061 1.6143 1.6143 1.8380 1.8380 1.8932 1.8932 2.9139 2.9139 2.9209 2.9209 2.9477 2.9477 3.1888 3.1888 3.3957 3.3957 3.4341 3.4341 7.9609 7.9609 11.8409 11.8409 11.8421 11.8421 14.4844 14.4844 k = 0.0492 0.0492 0.0492 ( 7210 PWs) bands (ev): -16.1562 -16.1562 -15.8381 -15.8381 -15.8380 -15.8380 -12.3545 -12.3545 -1.3300 -1.3300 -0.9238 -0.9238 -0.9026 -0.9026 -0.3630 -0.3630 -0.2193 -0.2193 -0.1645 -0.1645 -0.0037 -0.0037 0.0030 0.0030 1.6150 1.6150 1.8447 1.8447 1.9164 1.9164 2.9118 2.9118 2.9209 2.9209 2.9485 2.9485 3.1798 3.1798 3.3821 3.3821 3.4342 3.4342 8.0003 8.0003 11.8646 11.8646 11.8664 11.8664 14.4576 14.4576 k = 0.0574 0.0574 0.0574 ( 7213 PWs) bands (ev): -16.1535 -16.1535 -15.8383 -15.8383 -15.8381 -15.8381 -12.3554 -12.3554 -1.3335 -1.3335 -0.9307 -0.9307 -0.9023 -0.9023 -0.3751 -0.3751 -0.2441 -0.2441 -0.1819 -0.1819 0.0116 0.0116 0.0119 0.0119 1.6105 1.6105 1.8574 1.8574 1.9432 1.9432 2.9093 2.9093 2.9205 2.9205 2.9498 2.9498 3.1677 3.1677 3.3685 3.3685 3.4344 3.4344 8.0462 8.0462 11.8925 11.8925 11.8948 11.8948 14.4285 14.4285 k = 0.0656 0.0656 0.0656 ( 7226 PWs) bands (ev): -16.1503 -16.1503 -15.8386 -15.8386 -15.8383 -15.8383 -12.3563 -12.3563 -1.3375 -1.3375 -0.9387 -0.9387 -0.9022 -0.9022 -0.3878 -0.3878 -0.2703 -0.2703 -0.2017 -0.2017 0.0198 0.0198 0.0289 0.0289 1.5999 1.5999 1.8767 1.8767 1.9733 1.9733 2.9068 2.9068 2.9197 2.9197 2.9519 2.9519 3.1518 3.1518 3.3561 3.3561 3.4347 3.4347 8.0981 8.0981 11.9244 11.9244 11.9274 11.9274 14.3982 14.3982 k = 0.0738 0.0738 0.0738 ( 7235 PWs) bands (ev): -16.1468 -16.1468 -15.8389 -15.8389 -15.8386 -15.8386 -12.3573 -12.3573 -1.3420 -1.3420 -0.9478 -0.9478 -0.9025 -0.9025 -0.4009 -0.4009 -0.2977 -0.2977 -0.2234 -0.2234 0.0276 0.0276 0.0469 0.0469 1.5831 1.5831 1.9024 1.9024 2.0065 2.0065 2.9042 2.9042 2.9184 2.9184 2.9548 2.9548 3.1318 3.1318 3.3455 3.3455 3.4352 3.4352 8.1558 8.1558 11.9601 11.9601 11.9638 11.9638 14.3675 14.3675 k = 0.0820 0.0820 0.0820 ( 7241 PWs) bands (ev): -16.1428 -16.1428 -15.8392 -15.8392 -15.8388 -15.8388 -12.3583 -12.3583 -1.3468 -1.3468 -0.9581 -0.9581 -0.9033 -0.9033 -0.4142 -0.4142 -0.3260 -0.3260 -0.2462 -0.2462 0.0349 0.0349 0.0656 0.0656 1.5609 1.5609 1.9338 1.9338 2.0426 2.0426 2.9017 2.9017 2.9168 2.9168 2.9584 2.9584 3.1079 3.1079 3.3372 3.3372 3.4358 3.4358 8.2187 8.2187 11.9995 11.9995 12.0041 12.0041 14.3374 14.3374 k = 0.0902 0.0902 0.0902 ( 7241 PWs) bands (ev): -16.1385 -16.1385 -15.8395 -15.8395 -15.8391 -15.8391 -12.3595 -12.3595 -1.3521 -1.3521 -0.9695 -0.9695 -0.9049 -0.9049 -0.4277 -0.4277 -0.3551 -0.3551 -0.2699 -0.2699 0.0418 0.0418 0.0844 0.0844 1.5340 1.5340 1.9698 1.9698 2.0811 2.0811 2.8994 2.8994 2.9150 2.9150 2.9627 2.9627 3.0804 3.0804 3.3314 3.3314 3.4367 3.4367 8.2866 8.2866 12.0426 12.0426 12.0479 12.0479 14.3085 14.3085 k = 0.0984 0.0984 0.0984 ( 7235 PWs) bands (ev): -16.1339 -16.1339 -15.8399 -15.8399 -15.8394 -15.8394 -12.3607 -12.3607 -1.3578 -1.3578 -0.9820 -0.9820 -0.9073 -0.9073 -0.4414 -0.4414 -0.3847 -0.3847 -0.2938 -0.2938 0.0484 0.0484 0.1032 0.1032 1.5030 1.5030 2.0096 2.0096 2.1217 2.1217 2.8975 2.8975 2.9132 2.9132 2.9675 2.9675 3.0503 3.0503 3.3279 3.3279 3.4378 3.4378 8.3590 8.3590 12.0890 12.0890 12.0952 12.0952 14.2816 14.2816 k = 0.1066 0.1066 0.1066 ( 7235 PWs) bands (ev): -16.1289 -16.1289 -15.8403 -15.8403 -15.8397 -15.8397 -12.3620 -12.3620 -1.3638 -1.3638 -0.9957 -0.9957 -0.9107 -0.9107 -0.4553 -0.4553 -0.4148 -0.4148 -0.3176 -0.3176 0.0546 0.0546 0.1215 0.1215 1.4686 1.4686 2.0524 2.0524 2.1643 2.1643 2.8961 2.8961 2.9113 2.9113 2.9728 2.9728 3.0184 3.0184 3.3263 3.3263 3.4392 3.4392 8.4356 8.4356 12.1386 12.1386 12.1458 12.1458 14.2569 14.2569 k = 0.1148 0.1148 0.1148 ( 7235 PWs) bands (ev): -16.1235 -16.1235 -15.8407 -15.8407 -15.8400 -15.8400 -12.3632 -12.3632 -1.3703 -1.3703 -1.0106 -1.0106 -0.9154 -0.9154 -0.4694 -0.4694 -0.4452 -0.4452 -0.3406 -0.3406 0.0604 0.0604 0.1392 0.1392 1.4312 1.4312 2.0978 2.0978 2.2085 2.2085 2.8955 2.8955 2.9092 2.9092 2.9776 2.9776 2.9869 2.9869 3.3264 3.3264 3.4409 3.4409 8.5159 8.5159 12.1913 12.1913 12.1993 12.1993 14.2350 14.2350 k = 0.1230 0.1230 0.1230 ( 7253 PWs) bands (ev): -16.1179 -16.1179 -15.8411 -15.8411 -15.8404 -15.8404 -12.3645 -12.3645 -1.3772 -1.3772 -1.0267 -1.0267 -0.9216 -0.9216 -0.4837 -0.4837 -0.4757 -0.4757 -0.3625 -0.3625 0.0659 0.0659 0.1558 0.1558 1.3912 1.3912 2.1451 2.1451 2.2540 2.2540 2.8957 2.8957 2.9063 2.9063 2.9534 2.9534 2.9858 2.9858 3.3279 3.3279 3.4430 3.4430 8.5996 8.5996 12.2468 12.2468 12.2557 12.2557 14.2162 14.2162 k = 0.1311 0.1311 0.1311 ( 7247 PWs) bands (ev): -16.1120 -16.1120 -15.8416 -15.8416 -15.8408 -15.8408 -12.3658 -12.3658 -1.3845 -1.3845 -1.0439 -1.0439 -0.9294 -0.9294 -0.5062 -0.5062 -0.4984 -0.4984 -0.3828 -0.3828 0.0711 0.0711 0.1713 0.1713 1.3490 1.3490 2.1940 2.1940 2.3004 2.3004 2.8971 2.8971 2.8979 2.8979 2.9284 2.9284 2.9925 2.9925 3.3307 3.3307 3.4454 3.4454 8.6863 8.6863 12.3047 12.3047 12.3146 12.3146 14.2006 14.2006 k = 0.1393 0.1393 0.1393 ( 7250 PWs) bands (ev): -16.1058 -16.1058 -15.8421 -15.8421 -15.8411 -15.8411 -12.3671 -12.3671 -1.3923 -1.3923 -1.0622 -1.0622 -0.9391 -0.9391 -0.5366 -0.5366 -0.5133 -0.5133 -0.4013 -0.4013 0.0760 0.0760 0.1852 0.1852 1.3047 1.3047 2.2440 2.2440 2.3474 2.3474 2.8756 2.8756 2.8999 2.8999 2.9189 2.9189 2.9997 2.9997 3.3347 3.3347 3.4483 3.4483 8.7756 8.7756 12.3650 12.3650 12.3757 12.3757 14.1883 14.1883 k = 0.1475 0.1475 0.1475 ( 7244 PWs) bands (ev): -16.0993 -16.0993 -15.8426 -15.8426 -15.8415 -15.8415 -12.3683 -12.3683 -1.4006 -1.4006 -1.0816 -1.0816 -0.9508 -0.9508 -0.5668 -0.5668 -0.5285 -0.5285 -0.4176 -0.4176 0.0805 0.0805 0.1974 0.1974 1.2588 1.2588 2.2949 2.2949 2.3947 2.3947 2.8475 2.8475 2.9044 2.9044 2.9178 2.9178 3.0073 3.0073 3.3397 3.3397 3.4515 3.4515 8.8672 8.8672 12.4272 12.4272 12.4386 12.4386 14.1792 14.1792 k = 0.1557 0.1557 0.1557 ( 7268 PWs) bands (ev): -16.0926 -16.0926 -15.8431 -15.8431 -15.8420 -15.8420 -12.3695 -12.3695 -1.4095 -1.4095 -1.1021 -1.1021 -0.9645 -0.9645 -0.5967 -0.5967 -0.5439 -0.5439 -0.4318 -0.4318 0.0847 0.0847 0.2076 0.2076 1.2113 1.2113 2.3462 2.3462 2.4417 2.4417 2.8199 2.8199 2.9109 2.9109 2.9195 2.9195 3.0152 3.0152 3.3457 3.3457 3.4553 3.4553 8.9607 8.9607 12.4909 12.4909 12.5031 12.5031 14.1728 14.1728 k = 0.1639 0.1639 0.1639 ( 7241 PWs) bands (ev): -16.0857 -16.0857 -15.8437 -15.8437 -15.8424 -15.8424 -12.3707 -12.3707 -1.4188 -1.4188 -1.1236 -1.1236 -0.9804 -0.9804 -0.6262 -0.6262 -0.5591 -0.5591 -0.4439 -0.4439 0.0886 0.0886 0.2157 0.2157 1.1626 1.1626 2.3976 2.3976 2.4881 2.4881 2.7944 2.7944 2.9197 2.9197 2.9230 2.9230 3.0235 3.0235 3.3528 3.3528 3.4595 3.4595 9.0558 9.0558 12.5558 12.5558 12.5686 12.5686 14.1672 14.1672 k = 0.1721 0.1721 0.1721 ( 7247 PWs) bands (ev): -16.0785 -16.0785 -15.8442 -15.8442 -15.8428 -15.8428 -12.3718 -12.3718 -1.4288 -1.4288 -1.1460 -1.1460 -0.9985 -0.9985 -0.6554 -0.6554 -0.5742 -0.5742 -0.4539 -0.4539 0.0921 0.0921 0.2216 0.2216 1.1129 1.1129 2.4486 2.4486 2.5333 2.5333 2.7719 2.7719 2.9281 2.9281 2.9314 2.9314 3.0321 3.0321 3.3609 3.3609 3.4643 3.4643 9.1521 9.1521 12.6212 12.6212 12.6346 12.6346 14.1582 14.1582 k = 0.1803 0.1803 0.1803 ( 7268 PWs) bands (ev): -16.0712 -16.0712 -15.8448 -15.8448 -15.8433 -15.8433 -12.3728 -12.3728 -1.4394 -1.4394 -1.1693 -1.1693 -1.0187 -1.0187 -0.6841 -0.6841 -0.5889 -0.5889 -0.4621 -0.4621 0.0953 0.0953 0.2251 0.2251 1.0624 1.0624 2.4989 2.4989 2.5768 2.5768 2.7528 2.7528 2.9349 2.9349 2.9462 2.9462 3.0410 3.0410 3.3700 3.3700 3.4698 3.4698 9.2494 9.2494 12.6864 12.6864 12.7004 12.7004 14.1386 14.1386 k = 0.1885 0.1885 0.1885 ( 7274 PWs) bands (ev): -16.0638 -16.0638 -15.8453 -15.8453 -15.8437 -15.8437 -12.3737 -12.3737 -1.4506 -1.4506 -1.1934 -1.1934 -1.0408 -1.0408 -0.7123 -0.7123 -0.6034 -0.6034 -0.4686 -0.4686 0.0982 0.0982 0.2261 0.2261 1.0113 1.0113 2.5479 2.5479 2.6180 2.6180 2.7376 2.7376 2.9437 2.9437 2.9646 2.9646 3.0501 3.0501 3.3804 3.3804 3.4759 3.4759 9.3471 9.3471 12.7507 12.7507 12.7650 12.7650 14.1072 14.1072 k = 0.1967 0.1967 0.1967 ( 7268 PWs) bands (ev): -16.0562 -16.0562 -15.8459 -15.8459 -15.8442 -15.8442 -12.3745 -12.3745 -1.4624 -1.4624 -1.2181 -1.2181 -1.0647 -1.0647 -0.7402 -0.7402 -0.6176 -0.6176 -0.4736 -0.4736 0.1007 0.1007 0.2248 0.2248 0.9598 0.9598 2.5949 2.5949 2.6565 2.6565 2.7267 2.7267 2.9545 2.9545 2.9869 2.9869 3.0594 3.0594 3.3920 3.3920 3.4828 3.4828 9.4452 9.4452 12.8127 12.8127 12.8273 12.8273 14.0699 14.0699 k = 0.2049 0.2049 0.2049 ( 7271 PWs) bands (ev): -16.0485 -16.0485 -15.8465 -15.8465 -15.8446 -15.8446 -12.3751 -12.3751 -1.4749 -1.4749 -1.2435 -1.2435 -1.0902 -1.0902 -0.7675 -0.7675 -0.6318 -0.6318 -0.4770 -0.4770 0.1028 0.1028 0.2213 0.2213 0.9081 0.9081 2.6387 2.6387 2.6920 2.6920 2.7210 2.7210 2.9677 2.9677 3.0131 3.0131 3.0689 3.0689 3.4050 3.4050 3.4907 3.4907 9.5431 9.5431 12.8710 12.8710 12.8859 12.8859 14.0321 14.0321 k = 0.2131 0.2131 0.2131 ( 7268 PWs) bands (ev): -16.0407 -16.0407 -15.8471 -15.8471 -15.8451 -15.8451 -12.3757 -12.3757 -1.4880 -1.4880 -1.2693 -1.2693 -1.1171 -1.1171 -0.7944 -0.7944 -0.6461 -0.6461 -0.4790 -0.4790 0.1047 0.1047 0.2155 0.2155 0.8564 0.8564 2.6760 2.6760 2.7234 2.7234 2.7244 2.7244 2.9835 2.9835 3.0430 3.0430 3.0786 3.0786 3.4196 3.4196 3.4997 3.4997 9.6407 9.6407 12.9235 12.9235 12.9387 12.9387 13.9976 13.9976 k = 0.2213 0.2213 0.2213 ( 7262 PWs) bands (ev): -16.0328 -16.0328 -15.8477 -15.8477 -15.8455 -15.8455 -12.3761 -12.3761 -1.5016 -1.5016 -1.2954 -1.2954 -1.1451 -1.1451 -0.8209 -0.8209 -0.6608 -0.6608 -0.4797 -0.4797 0.1062 0.1062 0.2079 0.2079 0.8048 0.8048 2.6983 2.6983 2.7418 2.7418 2.7540 2.7540 3.0018 3.0018 3.0761 3.0761 3.0885 3.0885 3.4360 3.4360 3.5099 3.5099 9.7377 9.7377 12.9677 12.9677 12.9835 12.9835 13.9696 13.9696 k = 0.2295 0.2295 0.2295 ( 7271 PWs) bands (ev): -16.0249 -16.0249 -15.8483 -15.8483 -15.8460 -15.8460 -12.3763 -12.3763 -1.5159 -1.5159 -1.3219 -1.3219 -1.1741 -1.1741 -0.8470 -0.8470 -0.6762 -0.6762 -0.4791 -0.4791 0.1074 0.1074 0.1986 0.1986 0.7536 0.7536 2.7092 2.7092 2.7723 2.7723 2.7812 2.7812 3.0227 3.0227 3.0985 3.0985 3.1114 3.1114 3.4545 3.4545 3.5218 3.5218 9.8336 9.8336 13.0004 13.0004 13.0175 13.0175 13.9516 13.9516 k = 0.2377 0.2377 0.2377 ( 7268 PWs) bands (ev): -16.0170 -16.0170 -15.8489 -15.8489 -15.8465 -15.8465 -12.3764 -12.3764 -1.5306 -1.5306 -1.3484 -1.3484 -1.2039 -1.2039 -0.8726 -0.8726 -0.6925 -0.6925 -0.4772 -0.4772 0.1083 0.1083 0.1880 0.1880 0.7028 0.7028 2.7196 2.7196 2.8039 2.8039 2.8067 2.8067 3.0459 3.0459 3.1086 3.1086 3.1480 3.1480 3.4752 3.4752 3.5355 3.5355 9.9283 9.9283 13.0190 13.0190 13.0382 13.0382 13.9470 13.9470 k = 0.2459 0.2459 0.2459 ( 7274 PWs) bands (ev): -16.0090 -16.0090 -15.8495 -15.8495 -15.8469 -15.8469 -12.3764 -12.3764 -1.5458 -1.5458 -1.3751 -1.3751 -1.2343 -1.2343 -0.8978 -0.8978 -0.7099 -0.7099 -0.4742 -0.4742 0.1089 0.1089 0.1763 0.1763 0.6526 0.6526 2.7324 2.7324 2.8308 2.8308 2.8335 2.8335 3.0707 3.0707 3.1187 3.1187 3.1848 3.1848 3.4984 3.4984 3.5515 3.5515 10.0215 10.0215 13.0213 13.0213 13.0439 13.0439 13.9578 13.9578 k = 0.2541 0.2541 0.2541 ( 7262 PWs) bands (ev): -16.0011 -16.0011 -15.8500 -15.8500 -15.8474 -15.8474 -12.3762 -12.3762 -1.5614 -1.5614 -1.4017 -1.4017 -1.2652 -1.2652 -0.9226 -0.9226 -0.7286 -0.7286 -0.4701 -0.4701 0.1092 0.1092 0.1640 0.1640 0.6031 0.6031 2.7481 2.7481 2.8541 2.8541 2.8609 2.8609 3.0964 3.0964 3.1289 3.1289 3.2208 3.2208 3.5244 3.5244 3.5703 3.5703 10.1129 10.1129 13.0071 13.0071 13.0339 13.0339 13.9849 13.9849 k = 0.2623 0.2623 0.2623 ( 7271 PWs) bands (ev): -15.9932 -15.9932 -15.8506 -15.8506 -15.8478 -15.8478 -12.3758 -12.3758 -1.5773 -1.5773 -1.4281 -1.4281 -1.2963 -1.2963 -0.9471 -0.9471 -0.7487 -0.7487 -0.4649 -0.4649 0.1093 0.1093 0.1514 0.1514 0.5546 0.5546 2.7668 2.7668 2.8770 2.8770 2.8863 2.8863 3.1221 3.1221 3.1392 3.1392 3.2548 3.2548 3.5531 3.5531 3.5923 3.5923 10.2022 10.2022 12.9777 12.9777 13.0094 13.0094 14.0270 14.0270 k = 0.2705 0.2705 0.2705 ( 7271 PWs) bands (ev): -15.9854 -15.9854 -15.8512 -15.8512 -15.8483 -15.8483 -12.3753 -12.3753 -1.5935 -1.5935 -1.4543 -1.4543 -1.3276 -1.3276 -0.9711 -0.9711 -0.7703 -0.7703 -0.4587 -0.4587 0.1092 0.1092 0.1387 0.1387 0.5070 0.5070 2.7881 2.7881 2.8996 2.8996 2.9102 2.9102 3.1467 3.1467 3.1498 3.1498 3.2863 3.2863 3.5847 3.5847 3.6178 3.6178 10.2894 10.2894 12.9355 12.9355 12.9723 12.9723 14.0819 14.0819 k = 0.2787 0.2787 0.2787 ( 7271 PWs) bands (ev): -15.9777 -15.9777 -15.8517 -15.8517 -15.8487 -15.8487 -12.3747 -12.3747 -1.6098 -1.6098 -1.4802 -1.4802 -1.3589 -1.3589 -0.9946 -0.9946 -0.7935 -0.7935 -0.4517 -0.4517 0.1089 0.1089 0.1263 0.1263 0.4605 0.4605 2.8119 2.8119 2.9221 2.9221 2.9330 2.9330 3.1593 3.1593 3.1713 3.1713 3.3147 3.3147 3.6190 3.6190 3.6469 3.6469 10.3741 10.3741 12.8832 12.8832 12.9250 12.9250 14.1473 14.1473 k = 0.2869 0.2869 0.2869 ( 7280 PWs) bands (ev): -15.9701 -15.9701 -15.8523 -15.8523 -15.8491 -15.8491 -12.3738 -12.3738 -1.6263 -1.6263 -1.5058 -1.5058 -1.3902 -1.3902 -1.0178 -1.0178 -0.8182 -0.8182 -0.4440 -0.4440 0.1084 0.1084 0.1143 0.1143 0.4152 0.4152 2.8378 2.8378 2.9447 2.9447 2.9551 2.9551 3.1695 3.1695 3.1938 3.1938 3.3398 3.3398 3.6558 3.6558 3.6795 3.6795 10.4562 10.4562 12.8234 12.8234 12.8698 12.8698 14.2207 14.2207 k = 0.2951 0.2951 0.2951 ( 7280 PWs) bands (ev): -15.9626 -15.9626 -15.8528 -15.8528 -15.8496 -15.8496 -12.3729 -12.3729 -1.6428 -1.6428 -1.5308 -1.5308 -1.4214 -1.4214 -1.0404 -1.0404 -0.8442 -0.8442 -0.4356 -0.4356 0.1030 0.1030 0.1077 0.1077 0.3712 0.3712 2.8655 2.8655 2.9674 2.9674 2.9767 2.9767 3.1795 3.1795 3.2147 3.2147 3.3617 3.3617 3.6948 3.6948 3.7153 3.7153 10.5356 10.5356 12.7581 12.7581 12.8087 12.8087 14.3006 14.3006 k = 0.3033 0.3033 0.3033 ( 7280 PWs) bands (ev): -15.9552 -15.9552 -15.8534 -15.8534 -15.8500 -15.8500 -12.3718 -12.3718 -1.6593 -1.6593 -1.5553 -1.5553 -1.4523 -1.4523 -1.0626 -1.0626 -0.8714 -0.8714 -0.4266 -0.4266 0.0924 0.0924 0.1069 0.1069 0.3286 0.3286 2.8947 2.8947 2.9902 2.9902 2.9981 2.9981 3.1894 3.1894 3.2340 3.2340 3.3807 3.3807 3.7355 3.7355 3.7536 3.7536 10.6121 10.6121 12.6889 12.6889 12.7432 12.7432 14.3853 14.3853 k = 0.3115 0.3115 0.3115 ( 7280 PWs) bands (ev): -15.9480 -15.9480 -15.8539 -15.8539 -15.8504 -15.8504 -12.3706 -12.3706 -1.6756 -1.6756 -1.5793 -1.5793 -1.4828 -1.4828 -1.0842 -1.0842 -0.8997 -0.8997 -0.4172 -0.4172 0.0825 0.0825 0.1060 0.1060 0.2877 0.2877 2.9249 2.9249 3.0130 3.0130 3.0193 3.0193 3.1991 3.1991 3.2519 3.2519 3.3973 3.3973 3.7775 3.7775 3.7939 3.7939 10.6857 10.6857 12.6171 12.6171 12.6748 12.6748 14.4728 14.4728 k = 0.3197 0.3197 0.3197 ( 7274 PWs) bands (ev): -15.9410 -15.9410 -15.8544 -15.8544 -15.8508 -15.8508 -12.3692 -12.3692 -1.6918 -1.6918 -1.6025 -1.6025 -1.5129 -1.5129 -1.1053 -1.1053 -0.9289 -0.9289 -0.4076 -0.4076 0.0732 0.0732 0.1050 0.1050 0.2486 0.2486 2.9557 2.9557 3.0358 3.0358 3.0405 3.0405 3.2087 3.2087 3.2687 3.2687 3.4120 3.4120 3.8204 3.8204 3.8355 3.8355 10.7561 10.7561 12.5438 12.5438 12.6044 12.6044 14.3947 14.3947 k = 0.3279 0.3279 0.3279 ( 7274 PWs) bands (ev): -15.9342 -15.9342 -15.8548 -15.8548 -15.8511 -15.8511 -12.3678 -12.3678 -1.7078 -1.7078 -1.6251 -1.6251 -1.5425 -1.5425 -1.1258 -1.1258 -0.9586 -0.9586 -0.3977 -0.3977 0.0642 0.0642 0.1039 0.1039 0.2118 0.2118 2.9869 2.9869 3.0585 3.0585 3.0616 3.0616 3.2181 3.2181 3.2844 3.2844 3.4250 3.4250 3.8638 3.8638 3.8779 3.8779 10.8235 10.8235 12.4697 12.4697 12.5330 12.5330 14.2980 14.2980 k = 0.3361 0.3361 0.3361 ( 7274 PWs) bands (ev): -15.9276 -15.9276 -15.8553 -15.8553 -15.8515 -15.8515 -12.3662 -12.3662 -1.7234 -1.7234 -1.6469 -1.6469 -1.5715 -1.5715 -1.1457 -1.1457 -0.9886 -0.9886 -0.3877 -0.3877 0.0551 0.0551 0.1028 0.1028 0.1776 0.1776 3.0180 3.0180 3.0810 3.0810 3.0828 3.0828 3.2273 3.2273 3.2994 3.2994 3.4368 3.4368 3.9074 3.9074 3.9205 3.9205 10.8877 10.8877 12.3955 12.3955 12.4611 12.4611 14.1970 14.1970 k = 0.3443 0.3443 0.3443 ( 7280 PWs) bands (ev): -15.9212 -15.9212 -15.8557 -15.8557 -15.8518 -15.8518 -12.3646 -12.3646 -1.7388 -1.7388 -1.6679 -1.6679 -1.5997 -1.5997 -1.1650 -1.1650 -1.0187 -1.0187 -0.3778 -0.3778 0.0447 0.0447 0.1016 0.1016 0.1473 0.1473 3.0484 3.0484 3.1031 3.1031 3.1040 3.1040 3.2363 3.2363 3.3139 3.3139 3.4476 3.4476 3.9508 3.9508 3.9630 3.9630 10.9488 10.9488 12.3219 12.3219 12.3896 12.3896 14.0938 14.0938 k = 0.3525 0.3525 0.3525 ( 7283 PWs) bands (ev): -15.9151 -15.9151 -15.8561 -15.8561 -15.8522 -15.8522 -12.3630 -12.3630 -1.7537 -1.7537 -1.6881 -1.6881 -1.6272 -1.6272 -1.1835 -1.1835 -1.0486 -1.0486 -0.3680 -0.3680 0.0318 0.0318 0.1004 0.1004 0.1220 0.1220 3.0777 3.0777 3.1248 3.1248 3.1254 3.1254 3.2450 3.2450 3.3281 3.3281 3.4577 3.4577 3.9936 3.9936 4.0051 4.0051 11.0068 11.0068 12.2494 12.2494 12.3188 12.3188 13.9900 13.9900 k = 0.3607 0.3607 0.3607 ( 7283 PWs) bands (ev): -15.9092 -15.9092 -15.8565 -15.8565 -15.8525 -15.8525 -12.3612 -12.3612 -1.7682 -1.7682 -1.7074 -1.7074 -1.6538 -1.6538 -1.2013 -1.2013 -1.0780 -1.0780 -0.3584 -0.3584 0.0150 0.0150 0.0992 0.0992 0.1032 0.1032 3.1054 3.1054 3.1460 3.1460 3.1469 3.1469 3.2534 3.2534 3.3423 3.3423 3.4671 3.4671 4.0357 4.0357 4.0463 4.0463 11.0616 11.0616 12.1784 12.1784 12.2494 12.2494 13.8868 13.8868 k = 0.3689 0.3689 0.3689 ( 7283 PWs) bands (ev): -15.9036 -15.9036 -15.8569 -15.8569 -15.8528 -15.8528 -12.3595 -12.3595 -1.7822 -1.7822 -1.7258 -1.7258 -1.6793 -1.6793 -1.2183 -1.2183 -1.1068 -1.1068 -0.3491 -0.3491 -0.0057 -0.0057 0.0908 0.0908 0.0980 0.0980 3.1311 3.1311 3.1664 3.1664 3.1684 3.1684 3.2615 3.2615 3.3567 3.3567 3.4760 3.4760 4.0767 4.0767 4.0865 4.0865 11.1133 11.1133 12.1093 12.1093 12.1816 12.1816 13.7854 13.7854 k = 0.3770 0.3770 0.3770 ( 7283 PWs) bands (ev): -15.8983 -15.8983 -15.8572 -15.8572 -15.8531 -15.8531 -12.3577 -12.3577 -1.7958 -1.7958 -1.7432 -1.7432 -1.7037 -1.7037 -1.2345 -1.2345 -1.1347 -1.1347 -0.3401 -0.3401 -0.0289 -0.0289 0.0833 0.0833 0.0968 0.0968 3.1545 3.1545 3.1860 3.1860 3.1898 3.1898 3.2694 3.2694 3.3717 3.3717 3.4846 3.4846 4.1165 4.1165 4.1254 4.1254 11.1620 11.1620 12.0426 12.0426 12.1160 12.1160 13.6865 13.6865 k = 0.3852 0.3852 0.3852 ( 7295 PWs) bands (ev): -15.8933 -15.8933 -15.8575 -15.8575 -15.8533 -15.8533 -12.3560 -12.3560 -1.8090 -1.8090 -1.7596 -1.7596 -1.7269 -1.7269 -1.2498 -1.2498 -1.1615 -1.1615 -0.3316 -0.3316 -0.0528 -0.0528 0.0790 0.0790 0.0957 0.0957 3.1757 3.1757 3.2047 3.2047 3.2104 3.2104 3.2769 3.2769 3.3873 3.3873 3.4928 3.4928 4.1547 4.1547 4.1627 4.1627 11.2075 11.2075 11.9786 11.9786 12.0528 12.0528 13.5908 13.5908 k = 0.3934 0.3934 0.3934 ( 7289 PWs) bands (ev): -15.8887 -15.8887 -15.8578 -15.8578 -15.8536 -15.8536 -12.3542 -12.3542 -1.8216 -1.8216 -1.7750 -1.7750 -1.7486 -1.7486 -1.2642 -1.2642 -1.1871 -1.1871 -0.3236 -0.3236 -0.0765 -0.0765 0.0767 0.0767 0.0946 0.0946 3.1949 3.1949 3.2223 3.2223 3.2296 3.2296 3.2840 3.2840 3.4036 3.4036 3.5007 3.5007 4.1913 4.1913 4.1984 4.1984 11.2500 11.2500 11.9176 11.9176 11.9924 11.9924 13.4989 13.4989 k = 0.4016 0.4016 0.4016 ( 7283 PWs) bands (ev): -15.8843 -15.8843 -15.8580 -15.8580 -15.8538 -15.8538 -12.3525 -12.3525 -1.8339 -1.8339 -1.7894 -1.7894 -1.7689 -1.7689 -1.2778 -1.2778 -1.2113 -1.2113 -0.3160 -0.3160 -0.0993 -0.0993 0.0758 0.0758 0.0935 0.0935 3.2125 3.2125 3.2387 3.2387 3.2471 3.2471 3.2909 3.2909 3.4207 3.4207 3.5083 3.5083 4.2260 4.2260 4.2322 4.2322 11.2894 11.2894 11.8602 11.8602 11.9352 11.9352 13.4115 13.4115 k = 0.4098 0.4098 0.4098 ( 7307 PWs) bands (ev): -15.8803 -15.8803 -15.8582 -15.8582 -15.8540 -15.8540 -12.3509 -12.3509 -1.8457 -1.8457 -1.8027 -1.8027 -1.7874 -1.7874 -1.2903 -1.2903 -1.2339 -1.2339 -0.3091 -0.3091 -0.1207 -0.1207 0.0758 0.0758 0.0926 0.0926 3.2284 3.2284 3.2539 3.2539 3.2626 3.2626 3.2973 3.2973 3.4382 3.4382 3.5157 3.5157 4.2586 4.2586 4.2640 4.2640 11.3257 11.3257 11.8065 11.8065 11.8814 11.8814 13.3289 13.3289 k = 0.4180 0.4180 0.4180 ( 7307 PWs) bands (ev): -15.8766 -15.8766 -15.8584 -15.8584 -15.8542 -15.8542 -12.3494 -12.3494 -1.8572 -1.8572 -1.8150 -1.8150 -1.8041 -1.8041 -1.3019 -1.3019 -1.2549 -1.2549 -0.3027 -0.3027 -0.1407 -0.1407 0.0765 0.0765 0.0916 0.0916 3.2427 3.2427 3.2679 3.2679 3.2761 3.2761 3.3034 3.3034 3.4559 3.4559 3.5227 3.5227 4.2889 4.2889 4.2935 4.2935 11.3588 11.3588 11.7569 11.7569 11.8313 11.8313 13.2517 13.2517 k = 0.4262 0.4262 0.4262 ( 7301 PWs) bands (ev): -15.8734 -15.8734 -15.8584 -15.8584 -15.8544 -15.8544 -12.3479 -12.3479 -1.8683 -1.8683 -1.8261 -1.8261 -1.8188 -1.8188 -1.3125 -1.3125 -1.2741 -1.2741 -0.2969 -0.2969 -0.1590 -0.1590 0.0776 0.0776 0.0908 0.0908 3.2554 3.2554 3.2804 3.2804 3.2879 3.2879 3.3090 3.3090 3.4733 3.4733 3.5294 3.5294 4.3169 4.3169 4.3207 4.3207 11.3884 11.3884 11.7120 11.7120 11.7851 11.7851 13.1802 13.1802 k = 0.4344 0.4344 0.4344 ( 7286 PWs) bands (ev): -15.8705 -15.8705 -15.8584 -15.8584 -15.8546 -15.8546 -12.3465 -12.3465 -1.8790 -1.8790 -1.8361 -1.8361 -1.8315 -1.8315 -1.3220 -1.3220 -1.2915 -1.2915 -0.2918 -0.2918 -0.1756 -0.1756 0.0789 0.0789 0.0900 0.0900 3.2665 3.2665 3.2917 3.2917 3.2982 3.2982 3.3142 3.3142 3.4900 3.4900 3.5357 3.5357 4.3424 4.3424 4.3454 4.3454 11.4142 11.4142 11.6723 11.6723 11.7432 11.7432 13.1148 13.1148 k = 0.4426 0.4426 0.4426 ( 7277 PWs) bands (ev): -15.8682 -15.8682 -15.8582 -15.8582 -15.8547 -15.8547 -12.3453 -12.3453 -1.8891 -1.8891 -1.8450 -1.8450 -1.8423 -1.8423 -1.3304 -1.3304 -1.3070 -1.3070 -0.2872 -0.2872 -0.1903 -0.1903 0.0804 0.0804 0.0893 0.0893 3.2760 3.2760 3.3015 3.3015 3.3072 3.3072 3.3189 3.3189 3.5057 3.5057 3.5416 3.5416 4.3652 4.3652 4.3676 4.3676 11.4357 11.4357 11.6384 11.6384 11.7056 11.7056 13.0560 13.0560 k = 0.4508 0.4508 0.4508 ( 7289 PWs) bands (ev): -15.8663 -15.8663 -15.8579 -15.8579 -15.8548 -15.8548 -12.3442 -12.3442 -1.8985 -1.8985 -1.8527 -1.8527 -1.8512 -1.8512 -1.3378 -1.3378 -1.3205 -1.3205 -0.2833 -0.2833 -0.2031 -0.2031 0.0819 0.0819 0.0887 0.0887 3.2838 3.2838 3.3100 3.3100 3.3149 3.3149 3.3232 3.3232 3.5200 3.5200 3.5468 3.5468 4.3852 4.3852 4.3870 4.3870 11.4519 11.4519 11.6115 11.6115 11.6727 11.6727 13.0040 13.0040 k = 0.4590 0.4590 0.4590 ( 7292 PWs) bands (ev): -15.8649 -15.8649 -15.8574 -15.8574 -15.8549 -15.8549 -12.3433 -12.3433 -1.9068 -1.9068 -1.8592 -1.8592 -1.8585 -1.8585 -1.3441 -1.3441 -1.3320 -1.3320 -0.2800 -0.2800 -0.2140 -0.2140 0.0833 0.0833 0.0882 0.0882 3.2902 3.2902 3.3171 3.3171 3.3213 3.3213 3.3271 3.3271 3.5326 3.5326 3.5514 3.5514 4.4024 4.4024 4.4036 4.4036 11.4618 11.4618 11.5925 11.5925 11.6445 11.6445 12.9593 12.9593 k = 0.4672 0.4672 0.4672 ( 7292 PWs) bands (ev): -15.8639 -15.8639 -15.8568 -15.8568 -15.8550 -15.8550 -12.3425 -12.3425 -1.9139 -1.9139 -1.8646 -1.8646 -1.8643 -1.8643 -1.3492 -1.3492 -1.3415 -1.3415 -0.2773 -0.2773 -0.2230 -0.2230 0.0845 0.0845 0.0877 0.0877 3.2952 3.2952 3.3228 3.3228 3.3261 3.3261 3.3308 3.3308 3.5431 3.5431 3.5554 3.5554 4.4165 4.4165 4.4173 4.4173 11.4651 11.4651 11.5819 11.5819 11.6212 11.6212 12.9222 12.9222 k = 0.4754 0.4754 0.4754 ( 7292 PWs) bands (ev): -15.8633 -15.8633 -15.8562 -15.8562 -15.8551 -15.8551 -12.3419 -12.3419 -1.9196 -1.9196 -1.8688 -1.8688 -1.8687 -1.8687 -1.3532 -1.3532 -1.3489 -1.3489 -0.2752 -0.2752 -0.2300 -0.2300 0.0855 0.0855 0.0874 0.0874 3.2989 3.2989 3.3273 3.3273 3.3294 3.3294 3.3343 3.3343 3.5516 3.5516 3.5585 3.5585 4.4276 4.4276 4.4280 4.4280 11.4632 11.4632 11.5781 11.5781 11.6030 11.6030 12.8930 12.8930 k = 0.4836 0.4836 0.4836 ( 7286 PWs) bands (ev): -15.8630 -15.8630 -15.8556 -15.8556 -15.8551 -15.8551 -12.3414 -12.3414 -1.9237 -1.9237 -1.8718 -1.8718 -1.8717 -1.8717 -1.3561 -1.3561 -1.3542 -1.3542 -0.2737 -0.2737 -0.2349 -0.2349 0.0863 0.0863 0.0872 0.0872 3.3015 3.3015 3.3305 3.3305 3.3314 3.3315 3.3372 3.3372 3.5577 3.5577 3.5608 3.5608 4.4356 4.4356 4.4358 4.4358 11.4593 11.4593 11.5780 11.5780 11.5899 11.5899 12.8719 12.8719 k = 0.4918 0.4918 0.4918 ( 7253 PWs) bands (ev): -15.8628 -15.8628 -15.8553 -15.8553 -15.8552 -15.8552 -12.3411 -12.3411 -1.9262 -1.9262 -1.8736 -1.8736 -1.8736 -1.8736 -1.3578 -1.3578 -1.3573 -1.3573 -0.2728 -0.2728 -0.2379 -0.2379 0.0868 0.0868 0.0870 0.0870 3.3030 3.3030 3.3323 3.3323 3.3326 3.3326 3.3390 3.3390 3.5614 3.5614 3.5622 3.5622 4.4404 4.4404 4.4404 4.4404 11.4560 11.4560 11.5789 11.5789 11.5820 11.5820 12.8591 12.8591 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -15.8628 -15.8628 -15.8552 -15.8552 -15.8552 -15.8552 -12.3410 -12.3410 -1.9271 -1.9271 -1.8741 -1.8741 -1.8741 -1.8741 -1.3584 -1.3584 -1.3584 -1.3584 -0.2725 -0.2725 -0.2389 -0.2389 0.0870 0.0870 0.0870 0.0870 3.3035 3.3035 3.3330 3.3330 3.3330 3.3330 3.3396 3.3396 3.5626 3.5626 3.5626 3.5626 4.4420 4.4420 4.4420 4.4420 11.4548 11.4548 11.5794 11.5794 11.5794 11.5794 12.8549 12.8549 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -15.8628 -15.8628 -15.8552 -15.8552 -15.8552 -15.8552 -12.3410 -12.3410 -1.9271 -1.9271 -1.8741 -1.8741 -1.8741 -1.8741 -1.3584 -1.3584 -1.3584 -1.3584 -0.2725 -0.2725 -0.2389 -0.2389 0.0870 0.0870 0.0870 0.0870 3.3035 3.3035 3.3330 3.3330 3.3330 3.3330 3.3396 3.3396 3.5626 3.5626 3.5626 3.5626 4.4420 4.4420 4.4420 4.4420 11.4548 11.4548 11.5794 11.5794 11.5794 11.5794 12.8549 12.8549 k = 0.4900 0.5000 0.4900 ( 7266 PWs) bands (ev): -15.8628 -15.8628 -15.8553 -15.8553 -15.8552 -15.8552 -12.3411 -12.3411 -1.9262 -1.9262 -1.8738 -1.8738 -1.8733 -1.8733 -1.3578 -1.3578 -1.3574 -1.3574 -0.2728 -0.2728 -0.2379 -0.2379 0.0868 0.0868 0.0871 0.0871 3.3030 3.3030 3.3323 3.3323 3.3326 3.3326 3.3390 3.3390 3.5614 3.5614 3.5621 3.5621 4.4396 4.4396 4.4412 4.4412 11.4560 11.4560 11.5789 11.5789 11.5821 11.5821 12.8591 12.8591 k = 0.4800 0.5000 0.4800 ( 7276 PWs) bands (ev): -15.8630 -15.8630 -15.8556 -15.8556 -15.8551 -15.8551 -12.3414 -12.3414 -1.9237 -1.9237 -1.8728 -1.8728 -1.8708 -1.8708 -1.3560 -1.3560 -1.3543 -1.3543 -0.2737 -0.2737 -0.2350 -0.2350 0.0861 0.0861 0.0874 0.0874 3.3015 3.3015 3.3303 3.3303 3.3317 3.3317 3.3372 3.3372 3.5579 3.5579 3.5606 3.5606 4.4326 4.4326 4.4388 4.4388 11.4592 11.4592 11.5778 11.5778 11.5902 11.5902 12.8717 12.8717 k = 0.4700 0.5000 0.4700 ( 7292 PWs) bands (ev): -15.8633 -15.8633 -15.8561 -15.8561 -15.8551 -15.8551 -12.3419 -12.3419 -1.9196 -1.9196 -1.8710 -1.8710 -1.8666 -1.8666 -1.3530 -1.3530 -1.3492 -1.3492 -0.2752 -0.2752 -0.2300 -0.2300 0.0851 0.0851 0.0879 0.0879 3.2989 3.2989 3.3268 3.3268 3.3301 3.3301 3.3343 3.3343 3.5520 3.5520 3.5582 3.5582 4.4209 4.4209 4.4349 4.4349 11.4629 11.4629 11.5778 11.5778 11.6036 11.6036 12.8926 12.8926 k = 0.4600 0.5000 0.4600 ( 7292 PWs) bands (ev): -15.8639 -15.8639 -15.8568 -15.8568 -15.8551 -15.8551 -12.3425 -12.3425 -1.9139 -1.9139 -1.8685 -1.8685 -1.8607 -1.8607 -1.3488 -1.3488 -1.3421 -1.3421 -0.2772 -0.2772 -0.2231 -0.2231 0.0836 0.0836 0.0886 0.0886 3.2952 3.2952 3.3219 3.3219 3.3279 3.3279 3.3304 3.3304 3.5439 3.5439 3.5547 3.5547 4.4048 4.4048 4.4294 4.4294 11.4642 11.4642 11.5818 11.5818 11.6223 11.6223 12.9214 12.9214 k = 0.4500 0.5000 0.4500 ( 7296 PWs) bands (ev): -15.8647 -15.8647 -15.8574 -15.8574 -15.8550 -15.8550 -12.3433 -12.3433 -1.9068 -1.9068 -1.8651 -1.8651 -1.8531 -1.8531 -1.3435 -1.3435 -1.3330 -1.3330 -0.2799 -0.2799 -0.2141 -0.2141 0.0817 0.0817 0.0896 0.0896 3.2902 3.2902 3.3153 3.3153 3.3245 3.3245 3.3264 3.3264 3.5338 3.5338 3.5503 3.5503 4.3841 4.3841 4.4223 4.4223 11.4603 11.4603 11.5928 11.5928 11.6462 11.6462 12.9578 12.9578 k = 0.4400 0.5000 0.4400 ( 7292 PWs) bands (ev): -15.8659 -15.8659 -15.8580 -15.8580 -15.8549 -15.8549 -12.3442 -12.3442 -1.8985 -1.8985 -1.8607 -1.8607 -1.8439 -1.8439 -1.3369 -1.3369 -1.3219 -1.3219 -0.2832 -0.2832 -0.2031 -0.2031 0.0795 0.0795 0.0909 0.0909 3.2838 3.2838 3.3070 3.3070 3.3192 3.3192 3.3230 3.3230 3.5219 3.5219 3.5450 3.5450 4.3592 4.3592 4.4137 4.4137 11.4499 11.4499 11.6121 11.6121 11.6753 11.6753 13.0015 13.0015 k = 0.4300 0.5000 0.4300 ( 7292 PWs) bands (ev): -15.8676 -15.8676 -15.8585 -15.8585 -15.8548 -15.8548 -12.3453 -12.3453 -1.8894 -1.8894 -1.8551 -1.8551 -1.8331 -1.8331 -1.3292 -1.3292 -1.3089 -1.3089 -0.2870 -0.2870 -0.1902 -0.1902 0.0770 0.0770 0.0924 0.0924 3.2759 3.2759 3.2971 3.2971 3.3129 3.3129 3.3195 3.3195 3.5084 3.5084 3.5388 3.5388 4.3301 4.3301 4.4035 4.4035 11.4339 11.4339 11.6391 11.6391 11.7093 11.7093 13.0520 13.0520 k = 0.4200 0.5000 0.4200 ( 7288 PWs) bands (ev): -15.8697 -15.8697 -15.8589 -15.8589 -15.8547 -15.8547 -12.3465 -12.3465 -1.8800 -1.8800 -1.8478 -1.8478 -1.8206 -1.8206 -1.3204 -1.3204 -1.2940 -1.2940 -0.2915 -0.2915 -0.1752 -0.1752 0.0742 0.0742 0.0942 0.0942 3.2665 3.2665 3.2853 3.2853 3.3058 3.3058 3.3157 3.3157 3.4936 3.4936 3.5317 3.5317 4.2970 4.2970 4.3918 4.3918 11.4135 11.4135 11.6726 11.6726 11.7482 11.7482 13.1091 13.1091 k = 0.4100 0.5000 0.4100 ( 7300 PWs) bands (ev): -15.8723 -15.8723 -15.8592 -15.8592 -15.8545 -15.8545 -12.3479 -12.3479 -1.8710 -1.8710 -1.8383 -1.8383 -1.8066 -1.8066 -1.3104 -1.3104 -1.2773 -1.2773 -0.2966 -0.2966 -0.1583 -0.1583 0.0712 0.0712 0.0964 0.0964 3.2555 3.2555 3.2718 3.2718 3.2981 3.2981 3.3116 3.3116 3.4777 3.4777 3.5239 3.5239 4.2602 4.2602 4.3785 4.3785 11.3899 11.3899 11.7115 11.7115 11.7915 11.7915 13.1724 13.1724 k = 0.4000 0.5000 0.4000 ( 7300 PWs) bands (ev): -15.8751 -15.8751 -15.8595 -15.8595 -15.8542 -15.8542 -12.3494 -12.3494 -1.8627 -1.8627 -1.8262 -1.8262 -1.7910 -1.7910 -1.2994 -1.2994 -1.2589 -1.2589 -0.3023 -0.3023 -0.1395 -0.1395 0.0680 0.0680 0.0989 0.0989 3.2430 3.2430 3.2564 3.2564 3.2898 3.2898 3.3070 3.3070 3.4609 3.4609 3.5153 3.5153 4.2199 4.2199 4.3636 4.3636 11.3637 11.3637 11.7550 11.7550 11.8392 11.8392 13.2416 13.2416 k = 0.3900 0.5000 0.3900 ( 7308 PWs) bands (ev): -15.8783 -15.8783 -15.8598 -15.8598 -15.8540 -15.8540 -12.3509 -12.3509 -1.8552 -1.8552 -1.8117 -1.8117 -1.7739 -1.7739 -1.2872 -1.2872 -1.2388 -1.2388 -0.3086 -0.3086 -0.1188 -0.1188 0.0648 0.0648 0.1019 0.1019 3.2289 3.2289 3.2394 3.2394 3.2809 3.2809 3.3019 3.3019 3.4437 3.4437 3.5060 3.5060 4.1763 4.1763 4.3472 4.3472 11.3356 11.3356 11.8026 11.8026 11.8907 11.8907 13.3164 13.3164 k = 0.3800 0.5000 0.3800 ( 7296 PWs) bands (ev): -15.8819 -15.8819 -15.8601 -15.8601 -15.8536 -15.8536 -12.3526 -12.3526 -1.8483 -1.8483 -1.7952 -1.7952 -1.7553 -1.7553 -1.2740 -1.2740 -1.2172 -1.2172 -0.3155 -0.3155 -0.0963 -0.0963 0.0618 0.0618 0.1052 0.1052 3.2133 3.2133 3.2205 3.2205 3.2716 3.2716 3.2962 3.2962 3.4261 3.4261 3.4961 3.4961 4.1297 4.1297 4.3292 4.3292 11.3058 11.3058 11.8539 11.8539 11.9458 11.9458 13.3965 13.3965 k = 0.3700 0.5000 0.3700 ( 7292 PWs) bands (ev): -15.8856 -15.8856 -15.8604 -15.8604 -15.8533 -15.8533 -12.3543 -12.3543 -1.8417 -1.8417 -1.7771 -1.7771 -1.7353 -1.7353 -1.2598 -1.2598 -1.1940 -1.1940 -0.3230 -0.3230 -0.0723 -0.0723 0.0591 0.0591 0.1091 0.1091 3.1960 3.1960 3.2001 3.2001 3.2617 3.2617 3.2899 3.2899 3.4084 3.4084 3.4858 3.4858 4.0803 4.0803 4.3097 4.3097 11.2747 11.2747 11.9086 11.9086 12.0039 12.0039 13.4817 13.4817 k = 0.3600 0.5000 0.3600 ( 7300 PWs) bands (ev): -15.8897 -15.8897 -15.8607 -15.8607 -15.8528 -15.8528 -12.3561 -12.3561 -1.8352 -1.8352 -1.7576 -1.7576 -1.7139 -1.7139 -1.2445 -1.2445 -1.1696 -1.1696 -0.3310 -0.3310 -0.0473 -0.0473 0.0575 0.0575 0.1135 0.1135 3.1767 3.1767 3.1787 3.1787 3.2514 3.2514 3.2828 3.2828 3.3908 3.3908 3.4750 3.4750 4.0286 4.0286 4.2886 4.2886 11.2424 11.2424 11.9663 11.9663 12.0644 12.0644 13.5718 13.5718 k = 0.3500 0.5000 0.3500 ( 7290 PWs) bands (ev): -15.8939 -15.8939 -15.8611 -15.8611 -15.8524 -15.8524 -12.3579 -12.3579 -1.8288 -1.8288 -1.7370 -1.7370 -1.6912 -1.6912 -1.2283 -1.2283 -1.1439 -1.1439 -0.3396 -0.3396 -0.0224 -0.0224 0.0581 0.0581 0.1185 0.1185 3.1541 3.1541 3.1576 3.1576 3.2408 3.2408 3.2749 3.2749 3.3732 3.3732 3.4640 3.4640 3.9749 3.9749 4.2660 4.2660 11.2093 11.2093 12.0268 12.0268 12.1270 12.1270 13.6666 13.6666 k = 0.3400 0.5000 0.3400 ( 7294 PWs) bands (ev): -15.8984 -15.8984 -15.8615 -15.8615 -15.8519 -15.8519 -12.3597 -12.3597 -1.8224 -1.8224 -1.7155 -1.7155 -1.6672 -1.6672 -1.2112 -1.2112 -1.1171 -1.1171 -0.3486 -0.3486 -0.0009 -0.0009 0.0640 0.0640 0.1241 0.1241 3.1294 3.1294 3.1357 3.1357 3.2298 3.2298 3.2662 3.2662 3.3558 3.3558 3.4529 3.4529 3.9194 3.9194 4.2419 4.2419 11.1753 11.1753 12.0897 12.0897 12.1907 12.1907 13.7659 13.7659 k = 0.3300 0.5000 0.3300 ( 7298 PWs) bands (ev): -15.9030 -15.9030 -15.8619 -15.8619 -15.8513 -15.8513 -12.3616 -12.3616 -1.8161 -1.8161 -1.6932 -1.6932 -1.6421 -1.6421 -1.1931 -1.1931 -1.0894 -1.0894 -0.3581 -0.3581 0.0127 0.0127 0.0798 0.0798 0.1306 0.1306 3.1034 3.1034 3.1124 3.1124 3.2185 3.2185 3.2566 3.2566 3.3386 3.3386 3.4419 3.4419 3.8627 3.8627 4.2163 4.2163 11.1407 11.1407 12.1549 12.1549 12.2551 12.2551 13.8693 13.8693 k = 0.3200 0.5000 0.3200 ( 7290 PWs) bands (ev): -15.9078 -15.9078 -15.8624 -15.8624 -15.8508 -15.8508 -12.3634 -12.3634 -1.8098 -1.8098 -1.6704 -1.6704 -1.6158 -1.6158 -1.1743 -1.1743 -1.0609 -1.0609 -0.3680 -0.3680 0.0181 0.0181 0.1055 0.1055 0.1385 0.1385 3.0761 3.0761 3.0878 3.0878 3.2069 3.2069 3.2460 3.2460 3.3215 3.3215 3.4310 3.4310 3.8051 3.8051 4.1891 4.1891 11.1056 11.1056 12.2220 12.2220 12.3194 12.3194 13.9767 13.9767 k = 0.3100 0.5000 0.3100 ( 7276 PWs) bands (ev): -15.9128 -15.9128 -15.8629 -15.8629 -15.8502 -15.8502 -12.3652 -12.3652 -1.8037 -1.8037 -1.6470 -1.6470 -1.5886 -1.5886 -1.1546 -1.1546 -1.0317 -1.0317 -0.3783 -0.3783 0.0194 0.0194 0.1328 0.1328 0.1520 0.1520 3.0474 3.0474 3.0621 3.0621 3.1950 3.1950 3.2347 3.2347 3.3044 3.3044 3.4204 3.4204 3.7472 3.7472 4.1604 4.1604 11.0699 11.0699 12.2907 12.2907 12.3828 12.3828 14.0878 14.0878 k = 0.3000 0.5000 0.3000 ( 7280 PWs) bands (ev): -15.9178 -15.9178 -15.8635 -15.8635 -15.8495 -15.8495 -12.3670 -12.3670 -1.7977 -1.7977 -1.6233 -1.6233 -1.5604 -1.5604 -1.1343 -1.1343 -1.0022 -1.0022 -0.3888 -0.3888 0.0192 0.0192 0.1479 0.1479 0.1821 0.1821 3.0167 3.0167 3.0356 3.0356 3.1827 3.1827 3.2228 3.2228 3.2873 3.2873 3.4103 3.4103 3.6893 3.6893 4.1302 4.1302 11.0340 11.0340 12.3606 12.3606 12.4447 12.4447 14.2020 14.2020 k = 0.2900 0.5000 0.2900 ( 7284 PWs) bands (ev): -15.9230 -15.9230 -15.8641 -15.8641 -15.8489 -15.8489 -12.3688 -12.3688 -1.7918 -1.7918 -1.5995 -1.5995 -1.5314 -1.5314 -1.1134 -1.1134 -0.9723 -0.9723 -0.3995 -0.3995 0.0188 0.0188 0.1581 0.1581 0.2207 0.2207 2.9838 2.9838 3.0089 3.0089 3.1699 3.1699 3.2104 3.2104 3.2702 3.2702 3.4007 3.4007 3.6321 3.6321 4.0986 4.0986 10.9978 10.9978 12.4307 12.4307 12.5045 12.5045 14.3057 14.3057 k = 0.2800 0.5000 0.2800 ( 7280 PWs) bands (ev): -15.9283 -15.9283 -15.8647 -15.8647 -15.8482 -15.8482 -12.3704 -12.3704 -1.7861 -1.7861 -1.5755 -1.5755 -1.5016 -1.5016 -1.0919 -1.0919 -0.9423 -0.9423 -0.4102 -0.4102 0.0188 0.0188 0.1681 0.1681 0.2625 0.2625 2.9480 2.9480 2.9822 2.9822 3.1564 3.1564 3.1979 3.1979 3.2532 3.2532 3.3915 3.3915 3.5761 3.5761 4.0655 4.0655 10.9614 10.9614 12.4996 12.4996 12.5625 12.5625 14.2021 14.2021 k = 0.2700 0.5000 0.2700 ( 7292 PWs) bands (ev): -15.9336 -15.9336 -15.8654 -15.8654 -15.8475 -15.8475 -12.3720 -12.3720 -1.7806 -1.7806 -1.5517 -1.5517 -1.4714 -1.4714 -1.0701 -1.0701 -0.9123 -0.9123 -0.4210 -0.4210 0.0193 0.0193 0.1785 0.1785 0.3066 0.3066 2.9090 2.9090 2.9559 2.9559 3.1421 3.1421 3.1853 3.1853 3.2364 3.2364 3.3828 3.3828 3.5220 3.5220 4.0309 4.0309 10.9250 10.9250 12.5634 12.5634 12.6213 12.6213 14.0995 14.0995 k = 0.2600 0.5000 0.2600 ( 7288 PWs) bands (ev): -15.9389 -15.9389 -15.8661 -15.8661 -15.8469 -15.8469 -12.3736 -12.3736 -1.7754 -1.7754 -1.5280 -1.5280 -1.4407 -1.4407 -1.0479 -1.0479 -0.8825 -0.8825 -0.4315 -0.4315 0.0207 0.0207 0.1897 0.1897 0.3527 0.3527 2.8665 2.8665 2.9300 2.9300 3.1268 3.1268 3.1725 3.1725 3.2202 3.2202 3.3743 3.3743 3.4705 3.4705 3.9950 3.9950 10.8886 10.8886 12.6164 12.6164 12.6852 12.6852 13.9995 13.9995 k = 0.2500 0.5000 0.2500 ( 7296 PWs) bands (ev): -15.9442 -15.9442 -15.8668 -15.8668 -15.8462 -15.8462 -12.3750 -12.3750 -1.7704 -1.7704 -1.5046 -1.5046 -1.4097 -1.4097 -1.0257 -1.0257 -0.8528 -0.8528 -0.4418 -0.4418 0.0231 0.0231 0.2015 0.2015 0.4005 0.4005 2.8205 2.8205 2.9046 2.9046 3.1106 3.1106 3.1591 3.1591 3.2053 3.2053 3.3648 3.3648 3.4232 3.4232 3.9577 3.9577 10.8523 10.8523 12.6562 12.6562 12.7553 12.7553 13.9022 13.9022 k = 0.2400 0.5000 0.2400 ( 7300 PWs) bands (ev): -15.9496 -15.9496 -15.8675 -15.8675 -15.8455 -15.8455 -12.3764 -12.3764 -1.7657 -1.7657 -1.4817 -1.4817 -1.3787 -1.3787 -1.0037 -1.0037 -0.8234 -0.8234 -0.4515 -0.4515 0.0267 0.0267 0.2141 0.2141 0.4499 0.4499 2.7709 2.7709 2.8798 2.8798 3.0936 3.0936 3.1443 3.1443 3.1926 3.1926 3.3492 3.3492 3.3855 3.3855 3.9190 3.9190 10.8163 10.8163 12.6843 12.6843 12.8289 12.8289 13.8079 13.8079 k = 0.2300 0.5000 0.2300 ( 7304 PWs) bands (ev): -15.9549 -15.9549 -15.8683 -15.8683 -15.8448 -15.8448 -12.3776 -12.3776 -1.7613 -1.7613 -1.4594 -1.4594 -1.3478 -1.3478 -0.9819 -0.9819 -0.7944 -0.7944 -0.4604 -0.4604 0.0314 0.0314 0.2274 0.2274 0.5008 0.5008 2.7177 2.7177 2.8556 2.8556 3.0759 3.0759 3.1278 3.1278 3.1826 3.1826 3.3181 3.3181 3.3670 3.3670 3.8790 3.8790 10.7806 10.7806 12.7016 12.7016 12.9041 12.9041 13.7166 13.7166 k = 0.2200 0.5000 0.2200 ( 7304 PWs) bands (ev): -15.9602 -15.9602 -15.8691 -15.8691 -15.8441 -15.8441 -12.3788 -12.3788 -1.7571 -1.7571 -1.4377 -1.4377 -1.3173 -1.3173 -0.9607 -0.9607 -0.7656 -0.7656 -0.4684 -0.4684 0.0374 0.0374 0.2414 0.2414 0.5529 0.5529 2.6612 2.6612 2.8320 2.8320 3.0576 3.0576 3.1096 3.1096 3.1752 3.1752 3.2809 3.2809 3.3584 3.3584 3.8378 3.8378 10.7453 10.7453 12.7087 12.7087 12.9799 12.9799 13.6285 13.6285 k = 0.2100 0.5000 0.2100 ( 7310 PWs) bands (ev): -15.9654 -15.9654 -15.8699 -15.8699 -15.8434 -15.8434 -12.3799 -12.3799 -1.7533 -1.7533 -1.4168 -1.4168 -1.2873 -1.2873 -0.9404 -0.9404 -0.7373 -0.7373 -0.4749 -0.4749 0.0446 0.0446 0.2561 0.2561 0.6063 0.6063 2.6017 2.6017 2.8091 2.8091 3.0390 3.0390 3.0901 3.0901 3.1700 3.1700 3.2448 3.2448 3.3525 3.3525 3.7954 3.7954 10.7106 10.7106 12.7058 12.7058 13.0558 13.0558 13.5436 13.5436 k = 0.2000 0.5000 0.2000 ( 7310 PWs) bands (ev): -15.9705 -15.9705 -15.8707 -15.8707 -15.8427 -15.8427 -12.3808 -12.3808 -1.7498 -1.7498 -1.3969 -1.3969 -1.2581 -1.2581 -0.9212 -0.9212 -0.7094 -0.7094 -0.4797 -0.4797 0.0531 0.0531 0.2714 0.2714 0.6607 0.6607 2.5396 2.5396 2.7868 2.7868 3.0201 3.0201 3.0698 3.0698 3.1661 3.1661 3.2118 3.2118 3.3477 3.3477 3.7520 3.7520 10.6765 10.6765 12.6935 12.6935 13.1313 13.1313 13.4621 13.4621 k = 0.1900 0.5000 0.1900 ( 7302 PWs) bands (ev): -15.9755 -15.9755 -15.8716 -15.8716 -15.8420 -15.8420 -12.3817 -12.3817 -1.7466 -1.7466 -1.3779 -1.3779 -1.2298 -1.2298 -0.9032 -0.9032 -0.6824 -0.6824 -0.4821 -0.4821 0.0627 0.0627 0.2873 0.2873 0.7159 0.7159 2.4753 2.4753 2.7652 2.7652 3.0012 3.0012 3.0489 3.0489 3.1607 3.1607 3.1844 3.1844 3.3437 3.3437 3.7075 3.7075 10.6432 10.6432 12.6728 12.6728 13.2058 13.2058 13.3843 13.3843 k = 0.1800 0.5000 0.1800 ( 7294 PWs) bands (ev): -15.9803 -15.9803 -15.8724 -15.8724 -15.8414 -15.8414 -12.3825 -12.3825 -1.7437 -1.7437 -1.3600 -1.3600 -1.2028 -1.2028 -0.8867 -0.8867 -0.6567 -0.6567 -0.4811 -0.4811 0.0734 0.0734 0.3036 0.3036 0.7718 0.7718 2.4094 2.4094 2.7443 2.7443 2.9824 2.9824 3.0279 3.0279 3.1433 3.1433 3.1731 3.1731 3.3402 3.3402 3.6620 3.6620 10.6107 10.6107 12.6448 12.6448 13.2755 13.2755 13.3140 13.3140 k = 0.1700 0.5000 0.1700 ( 7294 PWs) bands (ev): -15.9850 -15.9850 -15.8732 -15.8732 -15.8408 -15.8408 -12.3831 -12.3831 -1.7411 -1.7411 -1.3433 -1.3433 -1.1773 -1.1773 -0.8717 -0.8717 -0.6334 -0.6334 -0.4757 -0.4757 0.0850 0.0850 0.3203 0.3203 0.8282 0.8282 2.3422 2.3422 2.7241 2.7241 2.9638 2.9638 3.0068 3.0068 3.1187 3.1187 3.1724 3.1724 3.3372 3.3372 3.6158 3.6158 10.5793 10.5793 12.6106 12.6106 13.2360 13.2360 13.3551 13.3551 k = 0.1600 0.5000 0.1600 ( 7294 PWs) bands (ev): -15.9896 -15.9896 -15.8740 -15.8740 -15.8401 -15.8401 -12.3837 -12.3837 -1.7388 -1.7388 -1.3279 -1.3279 -1.1533 -1.1533 -0.8583 -0.8583 -0.6136 -0.6136 -0.4646 -0.4646 0.0973 0.0973 0.3372 0.3372 0.8848 0.8848 2.2744 2.2744 2.7047 2.7047 2.9455 2.9455 2.9859 2.9859 3.0946 3.0946 3.1744 3.1744 3.3348 3.3348 3.5690 3.5690 10.5489 10.5489 12.5716 12.5716 13.1693 13.1693 13.4254 13.4254 k = 0.1500 0.5000 0.1500 ( 7292 PWs) bands (ev): -15.9939 -15.9939 -15.8748 -15.8748 -15.8395 -15.8395 -12.3842 -12.3842 -1.7368 -1.7368 -1.3137 -1.3137 -1.1311 -1.1311 -0.8463 -0.8463 -0.5980 -0.5980 -0.4470 -0.4470 0.1103 0.1103 0.3542 0.3542 0.9415 0.9415 2.2063 2.2063 2.6861 2.6861 2.9277 2.9277 2.9654 2.9654 3.0721 3.0721 3.1776 3.1776 3.3328 3.3328 3.5218 3.5218 10.5197 10.5197 12.5291 12.5291 13.1058 13.1058 13.4944 13.4944 k = 0.1400 0.5000 0.1400 ( 7290 PWs) bands (ev): -15.9981 -15.9981 -15.8756 -15.8756 -15.8390 -15.8390 -12.3846 -12.3846 -1.7351 -1.7351 -1.3009 -1.3009 -1.1108 -1.1108 -0.8356 -0.8356 -0.5866 -0.5866 -0.4233 -0.4233 0.1236 0.1236 0.3712 0.3712 0.9979 0.9979 2.1385 2.1385 2.6684 2.6684 2.9104 2.9104 2.9456 2.9456 3.0513 3.0513 3.1815 3.1815 3.3312 3.3312 3.4745 3.4745 10.4918 10.4918 12.4842 12.4842 13.0460 13.0460 13.5612 13.5612 k = 0.1300 0.5000 0.1300 ( 7284 PWs) bands (ev): -16.0020 -16.0020 -15.8764 -15.8764 -15.8384 -15.8384 -12.3850 -12.3850 -1.7336 -1.7336 -1.2894 -1.2894 -1.0925 -1.0925 -0.8261 -0.8261 -0.5783 -0.5783 -0.3946 -0.3946 0.1372 0.1372 0.3879 0.3879 1.0537 1.0537 2.0714 2.0714 2.6515 2.6515 2.8939 2.8939 2.9266 2.9266 3.0322 3.0322 3.1857 3.1857 3.3299 3.3299 3.4275 3.4275 10.4653 10.4653 12.4381 12.4381 12.9900 12.9900 13.6255 13.6255 k = 0.1200 0.5000 0.1200 ( 7284 PWs) bands (ev): -16.0058 -16.0058 -15.8771 -15.8771 -15.8379 -15.8379 -12.3853 -12.3853 -1.7323 -1.7323 -1.2793 -1.2793 -1.0762 -1.0762 -0.8175 -0.8175 -0.5720 -0.5720 -0.3626 -0.3626 0.1508 0.1508 0.4043 0.4043 1.1087 1.1087 2.0055 2.0055 2.6355 2.6355 2.8781 2.8781 2.9086 2.9086 3.0146 3.0146 3.1896 3.1896 3.3279 3.3279 3.3822 3.3822 10.4404 10.4404 12.3917 12.3917 12.9379 12.9379 13.6870 13.6870 k = 0.1100 0.5000 0.1100 ( 7282 PWs) bands (ev): -16.0092 -16.0092 -15.8778 -15.8778 -15.8375 -15.8375 -12.3855 -12.3855 -1.7313 -1.7313 -1.2704 -1.2704 -1.0618 -1.0618 -0.8098 -0.8098 -0.5669 -0.5669 -0.3283 -0.3283 0.1642 0.1642 0.4202 0.4202 1.1624 1.1624 1.9412 1.9412 2.6206 2.6206 2.8632 2.8632 2.8920 2.8920 2.9986 2.9986 3.1924 3.1924 3.3185 3.3185 3.3464 3.3464 10.4170 10.4170 12.3461 12.3461 12.8898 12.8898 13.7451 13.7451 k = 0.1000 0.5000 0.1000 ( 7274 PWs) bands (ev): -16.0124 -16.0124 -15.8784 -15.8784 -15.8370 -15.8370 -12.3857 -12.3857 -1.7305 -1.7305 -1.2628 -1.2628 -1.0492 -1.0492 -0.8029 -0.8029 -0.5623 -0.5623 -0.2930 -0.2930 0.1772 0.1772 0.4354 0.4354 1.2145 1.2145 1.8792 1.8792 2.6067 2.6067 2.8492 2.8492 2.8770 2.8770 2.9841 2.9841 3.1922 3.1922 3.2863 3.2863 3.3374 3.3374 10.3954 10.3954 12.3019 12.3019 12.8457 12.8457 13.7997 13.7997 k = 0.0900 0.5000 0.0900 ( 7282 PWs) bands (ev): -16.0154 -16.0154 -15.8790 -15.8790 -15.8366 -15.8366 -12.3858 -12.3858 -1.7298 -1.7298 -1.2564 -1.2564 -1.0385 -1.0385 -0.7966 -0.7966 -0.5581 -0.5581 -0.2576 -0.2576 0.1897 0.1897 0.4498 0.4498 1.2643 1.2643 1.8199 1.8199 2.5939 2.5939 2.8361 2.8361 2.8640 2.8640 2.9710 2.9710 3.1836 3.1836 3.2547 3.2547 3.3372 3.3372 10.3755 10.3755 12.2599 12.2599 12.8056 12.8056 13.8501 13.8501 k = 0.0800 0.5000 0.0800 ( 7290 PWs) bands (ev): -16.0180 -16.0180 -15.8796 -15.8796 -15.8362 -15.8362 -12.3859 -12.3859 -1.7293 -1.7293 -1.2511 -1.2511 -1.0293 -1.0293 -0.7910 -0.7910 -0.5542 -0.5542 -0.2227 -0.2227 0.2014 0.2014 0.4631 0.4631 1.3115 1.3115 1.7640 1.7640 2.5823 2.5823 2.8240 2.8240 2.8534 2.8534 2.9593 2.9593 3.1591 3.1592 3.2384 3.2384 3.3386 3.3386 10.3575 10.3575 12.2207 12.2207 12.7697 12.7697 13.8961 13.8961 k = 0.0700 0.5000 0.0700 ( 7302 PWs) bands (ev): -16.0204 -16.0204 -15.8801 -15.8801 -15.8359 -15.8359 -12.3860 -12.3860 -1.7289 -1.7289 -1.2468 -1.2468 -1.0216 -1.0216 -0.7860 -0.7860 -0.5504 -0.5504 -0.1893 -0.1893 0.2123 0.2123 0.4753 0.4753 1.3553 1.3553 1.7121 1.7121 2.5720 2.5720 2.8129 2.8129 2.8454 2.8454 2.9490 2.9490 3.1236 3.1236 3.2340 3.2340 3.3406 3.3406 10.3414 10.3414 12.1848 12.1848 12.7379 12.7379 13.9370 13.9370 k = 0.0600 0.5000 0.0600 ( 7278 PWs) bands (ev): -16.0225 -16.0225 -15.8805 -15.8805 -15.8356 -15.8356 -12.3860 -12.3860 -1.7286 -1.7286 -1.2433 -1.2433 -1.0152 -1.0152 -0.7816 -0.7816 -0.5470 -0.5470 -0.1580 -0.1580 0.2220 0.2220 0.4862 0.4862 1.3952 1.3952 1.6650 1.6650 2.5629 2.5629 2.8029 2.8029 2.8404 2.8404 2.9400 2.9400 3.0851 3.0851 3.2337 3.2337 3.3431 3.3431 10.3273 10.3273 12.1528 12.1528 12.7103 12.7103 13.9725 13.9725 k = 0.0500 0.5000 0.0500 ( 7270 PWs) bands (ev): -16.0243 -16.0243 -15.8809 -15.8809 -15.8354 -15.8354 -12.3860 -12.3860 -1.7283 -1.7283 -1.2406 -1.2406 -1.0100 -1.0100 -0.7779 -0.7779 -0.5438 -0.5438 -0.1298 -0.1298 0.2305 0.2305 0.4958 0.4958 1.4304 1.4304 1.6235 1.6235 2.5552 2.5552 2.7942 2.7942 2.8385 2.8385 2.9322 2.9322 3.0473 3.0473 3.2346 3.2346 3.3456 3.3456 10.3153 10.3153 12.1251 12.1251 12.6869 12.6869 14.0017 14.0017 k = 0.0400 0.5000 0.0400 ( 7278 PWs) bands (ev): -16.0257 -16.0257 -15.8812 -15.8812 -15.8352 -15.8352 -12.3860 -12.3860 -1.7282 -1.7282 -1.2386 -1.2386 -1.0059 -1.0059 -0.7749 -0.7749 -0.5411 -0.5411 -0.1052 -0.1052 0.2377 0.2377 0.5037 0.5037 1.4600 1.4600 1.5885 1.5885 2.5488 2.5488 2.7869 2.7869 2.8399 2.8399 2.9256 2.9256 3.0119 3.0119 3.2357 3.2357 3.3479 3.3479 10.3055 10.3055 12.1019 12.1019 12.6677 12.6677 14.0238 14.0238 k = 0.0300 0.5000 0.0300 ( 7266 PWs) bands (ev): -16.0269 -16.0269 -15.8815 -15.8815 -15.8350 -15.8350 -12.3860 -12.3860 -1.7281 -1.7281 -1.2371 -1.2371 -1.0028 -1.0028 -0.7725 -0.7725 -0.5388 -0.5388 -0.0852 -0.0852 0.2434 0.2434 0.5101 0.5101 1.4831 1.4831 1.5611 1.5611 2.5438 2.5438 2.7811 2.7811 2.8447 2.8447 2.9199 2.9199 2.9802 2.9802 3.2368 3.2368 3.3500 3.3500 10.2977 10.2977 12.0836 12.0836 12.6528 12.6528 14.0382 14.0382 k = 0.0200 0.5000 0.0200 ( 7254 PWs) bands (ev): -16.0277 -16.0277 -15.8816 -15.8816 -15.8349 -15.8349 -12.3860 -12.3860 -1.7280 -1.7280 -1.2361 -1.2361 -1.0007 -1.0007 -0.7708 -0.7708 -0.5372 -0.5372 -0.0704 -0.0704 0.2475 0.2475 0.5147 0.5147 1.4979 1.4979 1.5432 1.5432 2.5403 2.5403 2.7769 2.7769 2.8528 2.8528 2.9141 2.9141 2.9541 2.9541 3.2375 3.2375 3.3516 3.3516 10.2922 10.2922 12.0703 12.0703 12.6421 12.6421 14.0454 14.0454 k = 0.0100 0.5000 0.0100 ( 7256 PWs) bands (ev): -16.0282 -16.0282 -15.8818 -15.8818 -15.8348 -15.8348 -12.3860 -12.3860 -1.7280 -1.7280 -1.2355 -1.2355 -0.9994 -0.9994 -0.7698 -0.7698 -0.5362 -0.5362 -0.0612 -0.0612 0.2501 0.2501 0.5175 0.5175 1.5031 1.5031 1.5360 1.5360 2.5382 2.5382 2.7744 2.7744 2.8627 2.8627 2.9064 2.9064 2.9372 2.9372 3.2380 3.2380 3.3526 3.3526 10.2888 10.2888 12.0623 12.0623 12.6357 12.6357 14.0480 14.0480 k = 0.0000 0.5000-0.0000 ( 7256 PWs) bands (ev): -16.0283 -16.0283 -15.8818 -15.8818 -15.8348 -15.8348 -12.3860 -12.3860 -1.7280 -1.7280 -1.2353 -1.2353 -0.9990 -0.9990 -0.7694 -0.7694 -0.5358 -0.5358 -0.0581 -0.0581 0.2509 0.2509 0.5184 0.5184 1.5033 1.5033 1.5352 1.5352 2.5374 2.5374 2.7735 2.7735 2.8687 2.8687 2.9007 2.9007 2.9320 2.9320 3.2381 3.2381 3.3530 3.3530 10.2877 10.2877 12.0596 12.0596 12.6335 12.6335 14.0485 14.0485 k = 0.5000 0.5000-0.0000 ( 7316 PWs) bands (ev): -15.9273 -15.9273 -15.8660 -15.8660 -15.8611 -15.8611 -12.3863 -12.3863 -1.8450 -1.8450 -1.3982 -1.3982 -1.3861 -1.3861 -0.9421 -0.9421 -0.7801 -0.7801 -0.5577 -0.5577 -0.2763 -0.2763 0.3080 0.3080 1.5447 1.5447 1.7267 1.7267 2.7150 2.7150 2.9818 2.9818 3.0105 3.0105 3.1713 3.1713 3.2672 3.2672 3.3140 3.3140 4.4395 4.4395 10.9232 10.9232 13.3711 13.3711 14.2122 14.2122 14.2935 14.2935 k = 0.5000 0.5000 0.0139 ( 7296 PWs) bands (ev): -15.9271 -15.9271 -15.8660 -15.8660 -15.8611 -15.8611 -12.3862 -12.3862 -1.8451 -1.8451 -1.3989 -1.3989 -1.3876 -1.3876 -0.9429 -0.9429 -0.7820 -0.7820 -0.5567 -0.5567 -0.2746 -0.2746 0.3072 0.3072 1.4963 1.4963 1.7766 1.7766 2.7168 2.7168 2.9823 2.9823 3.0110 3.0110 3.1719 3.1719 3.2677 3.2677 3.3140 3.3140 4.4395 4.4395 10.9238 10.9238 13.3742 13.3742 14.1815 14.1815 14.2557 14.2557 k = 0.5000 0.5000 0.0278 ( 7288 PWs) bands (ev): -15.9268 -15.9268 -15.8659 -15.8659 -15.8611 -15.8611 -12.3859 -12.3859 -1.8451 -1.8451 -1.4011 -1.4011 -1.3921 -1.3921 -0.9454 -0.9454 -0.7877 -0.7877 -0.5535 -0.5535 -0.2696 -0.2696 0.3047 0.3047 1.4070 1.4070 1.8701 1.8701 2.7223 2.7223 2.9839 2.9839 3.0124 3.0124 3.1737 3.1737 3.2694 3.2694 3.3141 3.3141 4.4395 4.4395 10.9258 10.9258 13.3834 13.3834 14.1046 14.1046 14.1680 14.1680 k = 0.5000 0.5000 0.0417 ( 7292 PWs) bands (ev): -15.9261 -15.9261 -15.8659 -15.8659 -15.8610 -15.8610 -12.3855 -12.3855 -1.8453 -1.8453 -1.4048 -1.4048 -1.3994 -1.3994 -0.9495 -0.9495 -0.7969 -0.7969 -0.5484 -0.5484 -0.2616 -0.2616 0.3008 0.3008 1.3106 1.3106 1.9736 1.9736 2.7312 2.7312 2.9866 2.9866 3.0148 3.0148 3.1766 3.1766 3.2723 3.2723 3.3142 3.3142 4.4395 4.4395 10.9291 10.9291 13.3986 13.3986 14.0044 14.0044 14.0604 14.0604 k = 0.5000 0.5000 0.0556 ( 7284 PWs) bands (ev): -15.9252 -15.9252 -15.8658 -15.8658 -15.8609 -15.8609 -12.3849 -12.3849 -1.8455 -1.8455 -1.4099 -1.4099 -1.4094 -1.4094 -0.9552 -0.9552 -0.8092 -0.8092 -0.5415 -0.5415 -0.2510 -0.2510 0.2954 0.2954 1.2135 1.2135 2.0805 2.0805 2.7435 2.7435 2.9904 2.9904 3.0181 3.0181 3.1806 3.1806 3.2762 3.2762 3.3145 3.3145 4.4396 4.4396 10.9337 10.9337 13.4200 13.4200 13.8936 13.8936 13.9454 13.9454 k = 0.5000 0.5000 0.0694 ( 7276 PWs) bands (ev): -15.9241 -15.9241 -15.8657 -15.8657 -15.8608 -15.8608 -12.3842 -12.3842 -1.8458 -1.8458 -1.4218 -1.4218 -1.4165 -1.4165 -0.9625 -0.9625 -0.8241 -0.8241 -0.5329 -0.5329 -0.2382 -0.2382 0.2887 0.2887 1.1175 1.1175 2.1891 2.1891 2.7590 2.7590 2.9952 2.9952 3.0223 3.0223 3.1857 3.1857 3.2811 3.2811 3.3148 3.3148 4.4396 4.4396 10.9397 10.9397 13.4475 13.4475 13.7781 13.7781 13.8278 13.8278 k = 0.5000 0.5000 0.0833 ( 7284 PWs) bands (ev): -15.9227 -15.9227 -15.8656 -15.8656 -15.8607 -15.8607 -12.3833 -12.3833 -1.8461 -1.8461 -1.4365 -1.4365 -1.4245 -1.4245 -0.9713 -0.9713 -0.8413 -0.8413 -0.5229 -0.5229 -0.2237 -0.2237 0.2808 0.2808 1.0235 1.0235 2.2984 2.2984 2.7774 2.7774 3.0011 3.0011 3.0276 3.0276 3.1919 3.1919 3.2870 3.2870 3.3152 3.3152 4.4396 4.4396 10.9469 10.9469 13.4808 13.4808 13.6607 13.6607 13.7096 13.7096 k = 0.5000 0.5000 0.0972 ( 7292 PWs) bands (ev): -15.9211 -15.9211 -15.8654 -15.8654 -15.8606 -15.8606 -12.3822 -12.3822 -1.8466 -1.8466 -1.4531 -1.4531 -1.4340 -1.4340 -0.9815 -0.9815 -0.8603 -0.8603 -0.5117 -0.5117 -0.2079 -0.2079 0.2720 0.2720 0.9320 0.9320 2.4079 2.4079 2.7986 2.7986 3.0081 3.0081 3.0337 3.0337 3.1991 3.1991 3.2938 3.2938 3.3158 3.3158 4.4397 4.4397 10.9555 10.9555 13.5186 13.5186 13.5429 13.5429 13.5935 13.5935 k = 0.5000 0.5000 0.1111 ( 7276 PWs) bands (ev): -15.9193 -15.9193 -15.8653 -15.8653 -15.8604 -15.8604 -12.3810 -12.3810 -1.8470 -1.8470 -1.4714 -1.4714 -1.4448 -1.4448 -0.9932 -0.9932 -0.8807 -0.8807 -0.4996 -0.4996 -0.1913 -0.1913 0.2624 0.2624 0.8433 0.8433 2.5172 2.5172 2.8220 2.8220 3.0162 3.0162 3.0409 3.0409 3.2072 3.2072 3.3011 3.3011 3.3168 3.3168 4.4398 4.4398 10.9655 10.9655 13.4256 13.4256 13.4714 13.4714 13.5695 13.5695 k = 0.5000 0.5000 0.1250 ( 7276 PWs) bands (ev): -15.9172 -15.9172 -15.8651 -15.8651 -15.8602 -15.8602 -12.3797 -12.3797 -1.8476 -1.8476 -1.4912 -1.4912 -1.4570 -1.4570 -1.0061 -1.0061 -0.9022 -0.9022 -0.4869 -0.4869 -0.1742 -0.1742 0.2522 0.2522 0.7576 0.7576 2.6258 2.6258 2.8476 2.8476 3.0255 3.0255 3.0489 3.0489 3.2162 3.2162 3.3080 3.3080 3.3191 3.3191 4.4398 4.4398 10.9767 10.9767 13.3095 13.3095 13.3574 13.3574 13.6201 13.6201 k = 0.5000 0.5000 0.1389 ( 7276 PWs) bands (ev): -15.9150 -15.9150 -15.8649 -15.8649 -15.8600 -15.8600 -12.3783 -12.3783 -1.8482 -1.8482 -1.5120 -1.5120 -1.4705 -1.4705 -1.0201 -1.0201 -0.9245 -0.9245 -0.4737 -0.4737 -0.1568 -0.1568 0.2416 0.2416 0.6752 0.6752 2.7332 2.7332 2.8748 2.8748 3.0360 3.0360 3.0579 3.0579 3.2260 3.2260 3.3124 3.3124 3.3247 3.3247 4.4399 4.4399 10.9893 10.9893 13.1950 13.1950 13.2441 13.2441 13.6777 13.6777 k = 0.5000 0.5000 0.1528 ( 7268 PWs) bands (ev): -15.9127 -15.9127 -15.8647 -15.8647 -15.8598 -15.8598 -12.3767 -12.3767 -1.8489 -1.8489 -1.5338 -1.5338 -1.4853 -1.4853 -1.0353 -1.0353 -0.9474 -0.9474 -0.4602 -0.4602 -0.1394 -0.1394 0.2308 0.2308 0.5963 0.5963 2.8388 2.8388 2.9034 2.9034 3.0483 3.0483 3.0677 3.0677 3.2367 3.2367 3.3143 3.3143 3.3335 3.3335 4.4400 4.4400 11.0033 11.0033 13.0824 13.0824 13.1328 13.1328 13.7415 13.7415 k = 0.5000 0.5000 0.1667 ( 7288 PWs) bands (ev): -15.9101 -15.9101 -15.8645 -15.8645 -15.8596 -15.8596 -12.3751 -12.3751 -1.8496 -1.8496 -1.5563 -1.5563 -1.5012 -1.5012 -1.0514 -1.0514 -0.9708 -0.9708 -0.4466 -0.4466 -0.1223 -0.1223 0.2198 0.2198 0.5211 0.5211 2.9330 2.9330 2.9403 2.9403 3.0640 3.0640 3.0784 3.0784 3.2481 3.2481 3.3154 3.3154 3.3440 3.3440 4.4401 4.4401 11.0186 11.0186 12.9720 12.9720 13.0238 13.0238 13.8113 13.8113 k = 0.5000 0.5000 0.1806 ( 7276 PWs) bands (ev): -15.9075 -15.9075 -15.8642 -15.8642 -15.8594 -15.8594 -12.3733 -12.3733 -1.8505 -1.8505 -1.5792 -1.5792 -1.5182 -1.5182 -1.0682 -1.0682 -0.9945 -0.9945 -0.4330 -0.4330 -0.1055 -0.1055 0.2090 0.2090 0.4497 0.4497 2.9632 2.9632 3.0264 3.0264 3.0898 3.0898 3.0940 3.0940 3.2602 3.2602 3.3162 3.3162 3.3555 3.3555 4.4402 4.4402 11.0352 11.0352 12.8642 12.8642 12.9174 12.9174 13.8871 13.8871 k = 0.5000 0.5000 0.1944 ( 7276 PWs) bands (ev): -15.9047 -15.9047 -15.8640 -15.8640 -15.8592 -15.8592 -12.3715 -12.3715 -1.8514 -1.8514 -1.6025 -1.6025 -1.5362 -1.5362 -1.0858 -1.0858 -1.0183 -1.0183 -0.4197 -0.4197 -0.0894 -0.0894 0.1984 0.1984 0.3823 0.3823 2.9937 2.9937 3.0669 3.0669 3.1020 3.1020 3.1679 3.1679 3.2730 3.2730 3.3171 3.3171 3.3680 3.3680 4.4403 4.4403 11.0531 11.0531 12.7591 12.7591 12.8139 12.8139 13.9687 13.9687 k = 0.5000 0.5000 0.2083 ( 7280 PWs) bands (ev): -15.9019 -15.9019 -15.8637 -15.8637 -15.8589 -15.8589 -12.3696 -12.3696 -1.8523 -1.8523 -1.6258 -1.6258 -1.5550 -1.5550 -1.1038 -1.1038 -1.0422 -1.0422 -0.4067 -0.4067 -0.0738 -0.0738 0.1880 0.1880 0.3189 0.3189 3.0241 3.0241 3.0862 3.0862 3.1148 3.1148 3.2594 3.2594 3.2865 3.2865 3.3184 3.3184 3.3822 3.3822 4.4404 4.4404 11.0724 11.0724 12.6570 12.6570 12.7133 12.7133 14.0261 14.0261 k = 0.5000 0.5000 0.2222 ( 7272 PWs) bands (ev): -15.8989 -15.8989 -15.8635 -15.8635 -15.8587 -15.8587 -12.3677 -12.3677 -1.8534 -1.8534 -1.6490 -1.6490 -1.5746 -1.5746 -1.1221 -1.1221 -1.0660 -1.0660 -0.3941 -0.3941 -0.0592 -0.0592 0.1781 0.1781 0.2596 0.2596 3.0540 3.0540 3.1023 3.1023 3.1282 3.1282 3.3007 3.3007 3.3158 3.3158 3.3486 3.3486 3.4044 3.4044 4.4405 4.4405 11.0929 11.0929 12.5580 12.5580 12.6159 12.6159 13.9418 13.9418 k = 0.5000 0.5000 0.2361 ( 7264 PWs) bands (ev): -15.8959 -15.8959 -15.8632 -15.8632 -15.8584 -15.8584 -12.3658 -12.3658 -1.8545 -1.8545 -1.6720 -1.6720 -1.5948 -1.5948 -1.1406 -1.1406 -1.0896 -1.0896 -0.3820 -0.3820 -0.0454 -0.0454 0.1686 0.1686 0.2046 0.2046 3.0832 3.0832 3.1178 3.1178 3.1421 3.1421 3.3155 3.3155 3.3178 3.3178 3.3914 3.3914 3.4668 3.4668 4.4406 4.4406 11.1146 11.1146 12.4623 12.4623 12.5219 12.5219 13.8589 13.8589 k = 0.5000 0.5000 0.2500 ( 7292 PWs) bands (ev): -15.8930 -15.8930 -15.8629 -15.8629 -15.8581 -15.8581 -12.3638 -12.3638 -1.8557 -1.8557 -1.6947 -1.6947 -1.6155 -1.6155 -1.1591 -1.1591 -1.1129 -1.1129 -0.3705 -0.3705 -0.0329 -0.0329 0.1541 0.1541 0.1596 0.1596 3.1112 3.1112 3.1330 3.1330 3.1564 3.1564 3.3187 3.3187 3.3310 3.3310 3.4091 3.4091 3.5531 3.5531 4.4407 4.4407 11.1375 11.1375 12.3703 12.3703 12.4314 12.4314 13.7776 13.7776 k = 0.5000 0.5000 0.2639 ( 7284 PWs) bands (ev): -15.8900 -15.8900 -15.8626 -15.8626 -15.8579 -15.8579 -12.3618 -12.3618 -1.8569 -1.8569 -1.7168 -1.7168 -1.6365 -1.6365 -1.1775 -1.1775 -1.1359 -1.1359 -0.3595 -0.3595 -0.0222 -0.0222 0.1085 0.1085 0.1511 0.1511 3.1378 3.1378 3.1483 3.1483 3.1711 3.1711 3.3194 3.3194 3.3472 3.3472 3.4233 3.4233 3.6401 3.6401 4.4408 4.4408 11.1615 11.1615 12.2819 12.2819 12.3447 12.3447 13.6979 13.6979 k = 0.5000 0.5000 0.2778 ( 7292 PWs) bands (ev): -15.8870 -15.8870 -15.8623 -15.8623 -15.8576 -15.8576 -12.3599 -12.3599 -1.8582 -1.8582 -1.7383 -1.7383 -1.6577 -1.6577 -1.1956 -1.1956 -1.1583 -1.1583 -0.3492 -0.3492 -0.0149 -0.0149 0.0693 0.0693 0.1432 0.1432 3.1626 3.1626 3.1634 3.1634 3.1861 3.1861 3.3201 3.3201 3.3640 3.3640 3.4365 3.4365 3.7246 3.7246 4.4409 4.4409 11.1865 11.1865 12.1975 12.1975 12.2618 12.2618 13.6200 13.6200 k = 0.5000 0.5000 0.2917 ( 7284 PWs) bands (ev): -15.8841 -15.8841 -15.8620 -15.8620 -15.8574 -15.8574 -12.3579 -12.3579 -1.8595 -1.8595 -1.7591 -1.7591 -1.6788 -1.6788 -1.2133 -1.2133 -1.1800 -1.1800 -0.3395 -0.3395 -0.0166 -0.0166 0.0420 0.0420 0.1358 0.1358 3.1783 3.1783 3.1852 3.1852 3.2013 3.2013 3.3207 3.3207 3.3813 3.3813 3.4493 3.4493 3.8058 3.8058 4.4410 4.4410 11.2124 11.2124 12.1173 12.1173 12.1829 12.1829 13.5442 13.5442 k = 0.5000 0.5000 0.3056 ( 7280 PWs) bands (ev): -15.8813 -15.8813 -15.8617 -15.8617 -15.8571 -15.8571 -12.3561 -12.3561 -1.8608 -1.8608 -1.7791 -1.7791 -1.6997 -1.6997 -1.2303 -1.2303 -1.2010 -1.2010 -0.3305 -0.3305 -0.0347 -0.0347 0.0340 0.0340 0.1291 0.1291 3.1930 3.1930 3.2054 3.2054 3.2171 3.2171 3.3214 3.3214 3.3990 3.3990 3.4618 3.4618 3.8831 3.8831 4.4411 4.4411 11.2390 11.2390 12.0413 12.0413 12.1083 12.1083 13.4705 13.4705 k = 0.5000 0.5000 0.3194 ( 7288 PWs) bands (ev): -15.8785 -15.8785 -15.8614 -15.8614 -15.8569 -15.8569 -12.3542 -12.3542 -1.8622 -1.8622 -1.7981 -1.7981 -1.7202 -1.7202 -1.2467 -1.2467 -1.2211 -1.2211 -0.3222 -0.3222 -0.0615 -0.0615 0.0371 0.0371 0.1229 0.1229 3.2072 3.2072 3.2228 3.2228 3.2334 3.2334 3.3220 3.3220 3.4169 3.4169 3.4738 3.4738 3.9564 3.9564 4.4412 4.4412 11.2662 11.2662 11.9699 11.9699 12.0380 12.0380 13.3992 13.3992 k = 0.5000 0.5000 0.3333 ( 7288 PWs) bands (ev): -15.8760 -15.8760 -15.8610 -15.8610 -15.8567 -15.8567 -12.3525 -12.3525 -1.8636 -1.8636 -1.8161 -1.8161 -1.7401 -1.7401 -1.2622 -1.2622 -1.2402 -1.2402 -0.3146 -0.3146 -0.0886 -0.0886 0.0432 0.0432 0.1172 0.1172 3.2208 3.2208 3.2382 3.2382 3.2494 3.2494 3.3227 3.3227 3.4348 3.4348 3.4854 3.4854 4.0253 4.0253 4.4413 4.4413 11.2937 11.2937 11.9032 11.9032 11.9722 11.9722 13.3305 13.3305 k = 0.5000 0.5000 0.3472 ( 7308 PWs) bands (ev): -15.8735 -15.8735 -15.8606 -15.8606 -15.8564 -15.8564 -12.3508 -12.3508 -1.8651 -1.8651 -1.8329 -1.8329 -1.7592 -1.7592 -1.2769 -1.2769 -1.2581 -1.2581 -0.3077 -0.3077 -0.1139 -0.1139 0.0498 0.0498 0.1121 0.1121 3.2337 3.2337 3.2523 3.2523 3.2644 3.2644 3.3234 3.3234 3.4523 3.4523 3.4964 3.4964 4.0896 4.0896 4.4414 4.4414 11.3213 11.3213 11.8414 11.8414 11.9111 11.9111 13.2648 13.2648 k = 0.5000 0.5000 0.3611 ( 7300 PWs) bands (ev): -15.8713 -15.8713 -15.8602 -15.8602 -15.8562 -15.8562 -12.3492 -12.3492 -1.8665 -1.8665 -1.8484 -1.8484 -1.7774 -1.7774 -1.2905 -1.2905 -1.2748 -1.2748 -0.3014 -0.3014 -0.1368 -0.1368 0.0561 0.0561 0.1075 0.1075 3.2459 3.2459 3.2653 3.2653 3.2780 3.2780 3.3241 3.3241 3.4694 3.4694 3.5069 3.5069 4.1490 4.1490 4.4415 4.4415 11.3485 11.3485 11.7849 11.7849 11.8548 11.8548 13.2022 13.2022 k = 0.5000 0.5000 0.3750 ( 7292 PWs) bands (ev): -15.8694 -15.8694 -15.8598 -15.8598 -15.8560 -15.8560 -12.3477 -12.3477 -1.8684 -1.8684 -1.8623 -1.8623 -1.7945 -1.7945 -1.3030 -1.3030 -1.2902 -1.2902 -0.2958 -0.2958 -0.1571 -0.1571 0.0619 0.0619 0.1035 0.1035 3.2571 3.2571 3.2774 3.2774 3.2901 3.2901 3.3249 3.3249 3.4856 3.4856 3.5167 3.5167 4.2034 4.2034 4.4416 4.4416 11.3748 11.3748 11.7338 11.7338 11.8034 11.8034 13.1432 13.1432 k = 0.5000 0.5000 0.3889 ( 7292 PWs) bands (ev): -15.8676 -15.8676 -15.8592 -15.8592 -15.8559 -15.8559 -12.3464 -12.3464 -1.8768 -1.8768 -1.8683 -1.8683 -1.8103 -1.8103 -1.3144 -1.3144 -1.3042 -1.3042 -0.2908 -0.2908 -0.1750 -0.1750 0.0672 0.0672 0.0999 0.0999 3.2672 3.2672 3.2885 3.2885 3.3008 3.3008 3.3258 3.3258 3.5007 3.5007 3.5258 3.5258 4.2525 4.2525 4.4416 4.4416 11.3997 11.3997 11.6886 11.6886 11.7571 11.7571 13.0882 13.0882 k = 0.5000 0.5000 0.4028 ( 7284 PWs) bands (ev): -15.8662 -15.8662 -15.8586 -15.8586 -15.8557 -15.8557 -12.3452 -12.3452 -1.8881 -1.8881 -1.8697 -1.8697 -1.8246 -1.8246 -1.3246 -1.3246 -1.3166 -1.3166 -0.2864 -0.2864 -0.1905 -0.1905 0.0719 0.0719 0.0968 0.0968 3.2761 3.2761 3.2985 3.2985 3.3101 3.3101 3.3267 3.3267 3.5145 3.5145 3.5340 3.5340 4.2963 4.2963 4.4417 4.4417 11.4221 11.4221 11.6499 11.6499 11.7159 11.7159 13.0376 13.0376 k = 0.5000 0.5000 0.4167 ( 7292 PWs) bands (ev): -15.8651 -15.8651 -15.8579 -15.8579 -15.8556 -15.8556 -12.3441 -12.3441 -1.8983 -1.8983 -1.8709 -1.8709 -1.8373 -1.8373 -1.3334 -1.3334 -1.3276 -1.3276 -0.2827 -0.2827 -0.2037 -0.2037 0.0759 0.0759 0.0941 0.0941 3.2838 3.2838 3.3074 3.3074 3.3180 3.3180 3.3277 3.3277 3.5268 3.5268 3.5414 3.5414 4.3346 4.3346 4.4418 4.4418 11.4409 11.4409 11.6185 11.6185 11.6800 11.6800 12.9920 12.9920 k = 0.5000 0.5000 0.4306 ( 7292 PWs) bands (ev): -15.8643 -15.8643 -15.8572 -15.8572 -15.8554 -15.8554 -12.3432 -12.3432 -1.9070 -1.9070 -1.8719 -1.8719 -1.8484 -1.8484 -1.3410 -1.3410 -1.3369 -1.3369 -0.2796 -0.2796 -0.2146 -0.2146 0.0793 0.0793 0.0919 0.0919 3.2902 3.2902 3.3151 3.3151 3.3247 3.3247 3.3289 3.3289 3.5375 3.5375 3.5477 3.5477 4.3671 4.3671 4.4418 4.4418 11.4544 11.4544 11.5957 11.5957 11.6494 11.6494 12.9520 12.9520 k = 0.5000 0.5000 0.4444 ( 7292 PWs) bands (ev): -15.8637 -15.8637 -15.8566 -15.8566 -15.8553 -15.8553 -12.3424 -12.3424 -1.9142 -1.9142 -1.8727 -1.8727 -1.8575 -1.8575 -1.3472 -1.3472 -1.3446 -1.3446 -0.2770 -0.2770 -0.2235 -0.2235 0.0821 0.0821 0.0901 0.0901 3.2953 3.2953 3.3214 3.3214 3.3300 3.3300 3.3301 3.3301 3.5464 3.5464 3.5530 3.5530 4.3940 4.3940 4.4419 4.4419 11.4612 11.4612 11.5822 11.5822 11.6243 11.6243 12.9181 12.9181 k = 0.5000 0.5000 0.4583 ( 7292 PWs) bands (ev): -15.8633 -15.8633 -15.8560 -15.8560 -15.8553 -15.8553 -12.3418 -12.3418 -1.9198 -1.9198 -1.8733 -1.8733 -1.8647 -1.8647 -1.3521 -1.3521 -1.3506 -1.3506 -0.2751 -0.2751 -0.2303 -0.2303 0.0842 0.0842 0.0887 0.0887 3.2990 3.2990 3.3265 3.3265 3.3312 3.3312 3.3343 3.3343 3.5535 3.5535 3.5572 3.5572 4.4149 4.4149 4.4419 4.4419 11.4617 11.4617 11.5772 11.5772 11.6047 11.6047 12.8909 12.8909 k = 0.5000 0.5000 0.4722 ( 7284 PWs) bands (ev): -15.8630 -15.8630 -15.8555 -15.8555 -15.8552 -15.8552 -12.3414 -12.3414 -1.9238 -1.9238 -1.8738 -1.8738 -1.8700 -1.8700 -1.3556 -1.3556 -1.3550 -1.3550 -0.2737 -0.2737 -0.2351 -0.2351 0.0857 0.0857 0.0877 0.0877 3.3016 3.3016 3.3301 3.3301 3.3321 3.3321 3.3372 3.3372 3.5585 3.5585 3.5602 3.5602 4.4299 4.4299 4.4419 4.4419 11.4589 11.4589 11.5772 11.5772 11.5907 11.5907 12.8710 12.8710 k = 0.5000 0.5000 0.4861 ( 7260 PWs) bands (ev): -15.8628 -15.8628 -15.8553 -15.8553 -15.8552 -15.8552 -12.3411 -12.3411 -1.9263 -1.9263 -1.8741 -1.8741 -1.8731 -1.8731 -1.3577 -1.3577 -1.3575 -1.3575 -0.2728 -0.2728 -0.2380 -0.2380 0.0867 0.0867 0.0872 0.0872 3.3030 3.3030 3.3322 3.3322 3.3327 3.3327 3.3390 3.3390 3.5616 3.5616 3.5620 3.5620 4.4389 4.4389 4.4420 4.4420 11.4559 11.4559 11.5787 11.5787 11.5822 11.5822 12.8589 12.8589 k = 0.5000 0.5000 0.5000 ( 7208 PWs) bands (ev): -15.8628 -15.8628 -15.8552 -15.8552 -15.8552 -15.8552 -12.3410 -12.3410 -1.9271 -1.9271 -1.8741 -1.8741 -1.8741 -1.8741 -1.3584 -1.3584 -1.3584 -1.3584 -0.2725 -0.2725 -0.2389 -0.2389 0.0870 0.0870 0.0870 0.0870 3.3035 3.3035 3.3330 3.3330 3.3330 3.3330 3.3396 3.3396 3.5626 3.5626 3.5626 3.5626 4.4420 4.4420 4.4420 4.4420 11.4548 11.4548 11.5794 11.5794 11.5794 11.5794 12.8549 12.8549 Writing output data file CsCdF3.save init_run : 0.77s CPU 1.20s WALL ( 1 calls) electrons : 192.74s CPU 195.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.03s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 192.74s CPU 195.82s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 275 calls) cegterg : 178.83s CPU 180.68s WALL ( 467 calls) Called by sum_band: Called by *egterg: h_psi : 107.96s CPU 109.42s WALL ( 7715 calls) s_psi : 3.91s CPU 3.94s WALL ( 7715 calls) g_psi : 0.30s CPU 0.35s WALL ( 6973 calls) cdiaghg : 53.56s CPU 54.45s WALL ( 7248 calls) cegterg:over : 8.10s CPU 8.06s WALL ( 6973 calls) cegterg:upda : 8.14s CPU 8.09s WALL ( 6973 calls) cegterg:last : 3.24s CPU 3.25s WALL ( 1017 calls) cdiaghg:chol : 3.05s CPU 3.12s WALL ( 7248 calls) cdiaghg:inve : 2.24s CPU 2.13s WALL ( 7248 calls) cdiaghg:para : 3.02s CPU 3.24s WALL ( 14496 calls) Called by h_psi: h_psi:vloc : 94.88s CPU 95.96s WALL ( 7715 calls) h_psi:vnl : 12.76s CPU 13.15s WALL ( 7715 calls) add_vuspsi : 7.19s CPU 7.40s WALL ( 7715 calls) General routines calbec : 5.54s CPU 5.73s WALL ( 7715 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.49s CPU 89.48s WALL ( 670968 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.28s WALL ( 550 calls) Parallel routines fft_scatter : 30.18s CPU 30.51s WALL ( 670991 calls) PWSCF : 3m31.41s CPU 4m 2.75s WALL This run was terminated on: 16:48:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=