Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:32:55 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: ./CsPbF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 57 57 16 1971 1971 300 Max 58 58 17 1976 1976 303 Sum 2077 2077 593 71015 71015 10827 bravais-lattice index = 14 lattice parameter (alat) = 9.0231 a.u. unit-cell volume = 734.6188 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.023064 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 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. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 F 7.00 18.99840 F( 1.00) Pb 14.00 207.20000 Pb( 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= 256 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438596 0.0438596), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192982 0.2192982), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561403 0.4561403), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807018 0.2807018), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 Dense grid: 71015 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 488, 52) NL pseudopotentials 0.51 Mb ( 244, 138) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 1974) G-vector shells 0.00 Mb ( 436) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.55 Mb ( 488, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 138, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CsPbF3.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 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.1 secs Computing kpt #: 10 total cpu time spent up to now is 10.9 secs Computing kpt #: 11 total cpu time spent up to now is 11.7 secs Computing kpt #: 12 total cpu time spent up to now is 12.5 secs Computing kpt #: 13 total cpu time spent up to now is 13.4 secs Computing kpt #: 14 total cpu time spent up to now is 14.3 secs Computing kpt #: 15 total cpu time spent up to now is 15.5 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.2 secs Computing kpt #: 18 total cpu time spent up to now is 18.1 secs Computing kpt #: 19 total cpu time spent up to now is 18.9 secs Computing kpt #: 20 total cpu time spent up to now is 19.7 secs Computing kpt #: 21 total cpu time spent up to now is 20.3 secs Computing kpt #: 22 total cpu time spent up to now is 21.0 secs Computing kpt #: 23 total cpu time spent up to now is 21.7 secs Computing kpt #: 24 total cpu time spent up to now is 22.3 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 23.6 secs Computing kpt #: 27 total cpu time spent up to now is 24.3 secs Computing kpt #: 28 total cpu time spent up to now is 24.9 secs Computing kpt #: 29 total cpu time spent up to now is 25.5 secs Computing kpt #: 30 total cpu time spent up to now is 26.1 secs Computing kpt #: 31 total cpu time spent up to now is 26.7 secs Computing kpt #: 32 total cpu time spent up to now is 27.3 secs Computing kpt #: 33 total cpu time spent up to now is 27.9 secs Computing kpt #: 34 total cpu time spent up to now is 28.5 secs Computing kpt #: 35 total cpu time spent up to now is 29.1 secs Computing kpt #: 36 total cpu time spent up to now is 29.7 secs Computing kpt #: 37 total cpu time spent up to now is 30.3 secs Computing kpt #: 38 total cpu time spent up to now is 30.9 secs Computing kpt #: 39 total cpu time spent up to now is 31.5 secs Computing kpt #: 40 total cpu time spent up to now is 32.1 secs Computing kpt #: 41 total cpu time spent up to now is 32.8 secs Computing kpt #: 42 total cpu time spent up to now is 33.4 secs Computing kpt #: 43 total cpu time spent up to now is 34.0 secs Computing kpt #: 44 total cpu time spent up to now is 34.7 secs Computing kpt #: 45 total cpu time spent up to now is 35.3 secs Computing kpt #: 46 total cpu time spent up to now is 35.9 secs Computing kpt #: 47 total cpu time spent up to now is 36.6 secs Computing kpt #: 48 total cpu time spent up to now is 37.2 secs Computing kpt #: 49 total cpu time spent up to now is 37.9 secs Computing kpt #: 50 total cpu time spent up to now is 38.5 secs Computing kpt #: 51 total cpu time spent up to now is 39.2 secs Computing kpt #: 52 total cpu time spent up to now is 39.8 secs Computing kpt #: 53 total cpu time spent up to now is 40.5 secs Computing kpt #: 54 total cpu time spent up to now is 41.2 secs Computing kpt #: 55 total cpu time spent up to now is 41.9 secs Computing kpt #: 56 total cpu time spent up to now is 42.5 secs Computing kpt #: 57 total cpu time spent up to now is 43.2 secs Computing kpt #: 58 total cpu time spent up to now is 43.9 secs Computing kpt #: 59 total cpu time spent up to now is 44.6 secs Computing kpt #: 60 total cpu time spent up to now is 45.3 secs Computing kpt #: 61 total cpu time spent up to now is 46.2 secs Computing kpt #: 62 total cpu time spent up to now is 47.0 secs Computing kpt #: 63 total cpu time spent up to now is 47.8 secs Computing kpt #: 64 total cpu time spent up to now is 48.6 secs Computing kpt #: 65 total cpu time spent up to now is 49.4 secs Computing kpt #: 66 total cpu time spent up to now is 50.3 secs Computing kpt #: 67 total cpu time spent up to now is 51.2 secs Computing kpt #: 68 total cpu time spent up to now is 52.1 secs Computing kpt #: 69 total cpu time spent up to now is 53.0 secs Computing kpt #: 70 total cpu time spent up to now is 53.9 secs Computing kpt #: 71 total cpu time spent up to now is 54.8 secs Computing kpt #: 72 total cpu time spent up to now is 55.6 secs Computing kpt #: 73 total cpu time spent up to now is 56.5 secs Computing kpt #: 74 total cpu time spent up to now is 57.3 secs Computing kpt #: 75 total cpu time spent up to now is 58.1 secs Computing kpt #: 76 total cpu time spent up to now is 58.9 secs Computing kpt #: 77 total cpu time spent up to now is 59.6 secs Computing kpt #: 78 total cpu time spent up to now is 60.3 secs Computing kpt #: 79 total cpu time spent up to now is 61.0 secs Computing kpt #: 80 total cpu time spent up to now is 61.7 secs Computing kpt #: 81 total cpu time spent up to now is 62.4 secs Computing kpt #: 82 total cpu time spent up to now is 63.1 secs Computing kpt #: 83 total cpu time spent up to now is 63.8 secs Computing kpt #: 84 total cpu time spent up to now is 64.5 secs Computing kpt #: 85 total cpu time spent up to now is 65.2 secs Computing kpt #: 86 total cpu time spent up to now is 65.9 secs Computing kpt #: 87 total cpu time spent up to now is 66.6 secs Computing kpt #: 88 total cpu time spent up to now is 67.3 secs Computing kpt #: 89 total cpu time spent up to now is 68.1 secs Computing kpt #: 90 total cpu time spent up to now is 68.8 secs Computing kpt #: 91 total cpu time spent up to now is 69.5 secs Computing kpt #: 92 total cpu time spent up to now is 70.2 secs Computing kpt #: 93 total cpu time spent up to now is 70.9 secs Computing kpt #: 94 total cpu time spent up to now is 71.6 secs Computing kpt #: 95 total cpu time spent up to now is 72.3 secs Computing kpt #: 96 total cpu time spent up to now is 73.0 secs Computing kpt #: 97 total cpu time spent up to now is 73.7 secs Computing kpt #: 98 total cpu time spent up to now is 74.4 secs Computing kpt #: 99 total cpu time spent up to now is 75.1 secs Computing kpt #: 100 total cpu time spent up to now is 75.8 secs Computing kpt #: 101 total cpu time spent up to now is 76.5 secs Computing kpt #: 102 total cpu time spent up to now is 77.2 secs Computing kpt #: 103 total cpu time spent up to now is 77.9 secs Computing kpt #: 104 total cpu time spent up to now is 78.7 secs Computing kpt #: 105 total cpu time spent up to now is 79.4 secs Computing kpt #: 106 total cpu time spent up to now is 80.1 secs Computing kpt #: 107 total cpu time spent up to now is 80.8 secs Computing kpt #: 108 total cpu time spent up to now is 81.5 secs Computing kpt #: 109 total cpu time spent up to now is 82.2 secs Computing kpt #: 110 total cpu time spent up to now is 83.0 secs Computing kpt #: 111 total cpu time spent up to now is 83.7 secs Computing kpt #: 112 total cpu time spent up to now is 84.4 secs Computing kpt #: 113 total cpu time spent up to now is 85.1 secs Computing kpt #: 114 total cpu time spent up to now is 85.8 secs Computing kpt #: 115 total cpu time spent up to now is 86.6 secs Computing kpt #: 116 total cpu time spent up to now is 87.2 secs Computing kpt #: 117 total cpu time spent up to now is 87.9 secs Computing kpt #: 118 total cpu time spent up to now is 88.6 secs Computing kpt #: 119 total cpu time spent up to now is 89.4 secs Computing kpt #: 120 total cpu time spent up to now is 90.1 secs Computing kpt #: 121 total cpu time spent up to now is 90.8 secs Computing kpt #: 122 total cpu time spent up to now is 91.5 secs Computing kpt #: 123 total cpu time spent up to now is 92.2 secs Computing kpt #: 124 total cpu time spent up to now is 92.9 secs Computing kpt #: 125 total cpu time spent up to now is 93.6 secs Computing kpt #: 126 total cpu time spent up to now is 94.3 secs Computing kpt #: 127 total cpu time spent up to now is 95.0 secs Computing kpt #: 128 total cpu time spent up to now is 95.7 secs Computing kpt #: 129 total cpu time spent up to now is 96.4 secs Computing kpt #: 130 total cpu time spent up to now is 97.1 secs Computing kpt #: 131 total cpu time spent up to now is 97.8 secs Computing kpt #: 132 total cpu time spent up to now is 98.5 secs Computing kpt #: 133 total cpu time spent up to now is 99.2 secs Computing kpt #: 134 total cpu time spent up to now is 100.0 secs Computing kpt #: 135 total cpu time spent up to now is 100.7 secs Computing kpt #: 136 total cpu time spent up to now is 101.4 secs Computing kpt #: 137 total cpu time spent up to now is 102.1 secs Computing kpt #: 138 total cpu time spent up to now is 102.9 secs Computing kpt #: 139 total cpu time spent up to now is 103.6 secs Computing kpt #: 140 total cpu time spent up to now is 104.3 secs Computing kpt #: 141 total cpu time spent up to now is 105.2 secs Computing kpt #: 142 total cpu time spent up to now is 106.0 secs Computing kpt #: 143 total cpu time spent up to now is 106.8 secs Computing kpt #: 144 total cpu time spent up to now is 107.6 secs Computing kpt #: 145 total cpu time spent up to now is 108.4 secs Computing kpt #: 146 total cpu time spent up to now is 109.3 secs Computing kpt #: 147 total cpu time spent up to now is 110.1 secs Computing kpt #: 148 total cpu time spent up to now is 110.9 secs Computing kpt #: 149 total cpu time spent up to now is 111.9 secs Computing kpt #: 150 total cpu time spent up to now is 112.8 secs Computing kpt #: 151 total cpu time spent up to now is 113.7 secs Computing kpt #: 152 total cpu time spent up to now is 114.7 secs Computing kpt #: 153 total cpu time spent up to now is 115.6 secs Computing kpt #: 154 total cpu time spent up to now is 116.5 secs Computing kpt #: 155 total cpu time spent up to now is 117.4 secs Computing kpt #: 156 total cpu time spent up to now is 118.5 secs Computing kpt #: 157 total cpu time spent up to now is 119.4 secs Computing kpt #: 158 total cpu time spent up to now is 120.3 secs Computing kpt #: 159 total cpu time spent up to now is 121.1 secs Computing kpt #: 160 total cpu time spent up to now is 122.0 secs Computing kpt #: 161 total cpu time spent up to now is 122.9 secs Computing kpt #: 162 total cpu time spent up to now is 123.8 secs Computing kpt #: 163 total cpu time spent up to now is 124.6 secs Computing kpt #: 164 total cpu time spent up to now is 125.5 secs Computing kpt #: 165 total cpu time spent up to now is 126.4 secs Computing kpt #: 166 total cpu time spent up to now is 127.3 secs Computing kpt #: 167 total cpu time spent up to now is 128.1 secs Computing kpt #: 168 total cpu time spent up to now is 129.0 secs Computing kpt #: 169 total cpu time spent up to now is 129.8 secs Computing kpt #: 170 total cpu time spent up to now is 130.7 secs Computing kpt #: 171 total cpu time spent up to now is 131.5 secs Computing kpt #: 172 total cpu time spent up to now is 132.3 secs Computing kpt #: 173 total cpu time spent up to now is 133.1 secs Computing kpt #: 174 total cpu time spent up to now is 133.9 secs Computing kpt #: 175 total cpu time spent up to now is 134.7 secs Computing kpt #: 176 total cpu time spent up to now is 135.5 secs Computing kpt #: 177 total cpu time spent up to now is 136.4 secs Computing kpt #: 178 total cpu time spent up to now is 137.2 secs Computing kpt #: 179 total cpu time spent up to now is 138.1 secs Computing kpt #: 180 total cpu time spent up to now is 138.9 secs Computing kpt #: 181 total cpu time spent up to now is 139.8 secs Computing kpt #: 182 total cpu time spent up to now is 140.7 secs Computing kpt #: 183 total cpu time spent up to now is 141.6 secs Computing kpt #: 184 total cpu time spent up to now is 142.7 secs Computing kpt #: 185 total cpu time spent up to now is 143.7 secs Computing kpt #: 186 total cpu time spent up to now is 144.8 secs Computing kpt #: 187 total cpu time spent up to now is 145.9 secs Computing kpt #: 188 total cpu time spent up to now is 147.1 secs Computing kpt #: 189 total cpu time spent up to now is 148.8 secs Computing kpt #: 190 total cpu time spent up to now is 150.4 secs Computing kpt #: 191 total cpu time spent up to now is 151.7 secs Computing kpt #: 192 total cpu time spent up to now is 152.8 secs Computing kpt #: 193 total cpu time spent up to now is 153.7 secs Computing kpt #: 194 total cpu time spent up to now is 154.5 secs Computing kpt #: 195 total cpu time spent up to now is 155.4 secs Computing kpt #: 196 total cpu time spent up to now is 156.2 secs Computing kpt #: 197 total cpu time spent up to now is 157.0 secs Computing kpt #: 198 total cpu time spent up to now is 157.9 secs Computing kpt #: 199 total cpu time spent up to now is 158.7 secs Computing kpt #: 200 total cpu time spent up to now is 159.5 secs Computing kpt #: 201 total cpu time spent up to now is 160.3 secs Computing kpt #: 202 total cpu time spent up to now is 161.1 secs Computing kpt #: 203 total cpu time spent up to now is 161.9 secs Computing kpt #: 204 total cpu time spent up to now is 162.6 secs Computing kpt #: 205 total cpu time spent up to now is 163.3 secs Computing kpt #: 206 total cpu time spent up to now is 164.0 secs Computing kpt #: 207 total cpu time spent up to now is 164.6 secs Computing kpt #: 208 total cpu time spent up to now is 165.3 secs Computing kpt #: 209 total cpu time spent up to now is 165.9 secs Computing kpt #: 210 total cpu time spent up to now is 166.6 secs Computing kpt #: 211 total cpu time spent up to now is 167.2 secs Computing kpt #: 212 total cpu time spent up to now is 167.9 secs Computing kpt #: 213 total cpu time spent up to now is 168.5 secs Computing kpt #: 214 total cpu time spent up to now is 169.1 secs Computing kpt #: 215 total cpu time spent up to now is 169.8 secs Computing kpt #: 216 total cpu time spent up to now is 170.4 secs Computing kpt #: 217 total cpu time spent up to now is 171.0 secs Computing kpt #: 218 total cpu time spent up to now is 171.6 secs Computing kpt #: 219 total cpu time spent up to now is 172.2 secs Computing kpt #: 220 total cpu time spent up to now is 172.8 secs Computing kpt #: 221 total cpu time spent up to now is 173.4 secs Computing kpt #: 222 total cpu time spent up to now is 174.0 secs Computing kpt #: 223 total cpu time spent up to now is 174.9 secs Computing kpt #: 224 total cpu time spent up to now is 175.8 secs Computing kpt #: 225 total cpu time spent up to now is 176.6 secs Computing kpt #: 226 total cpu time spent up to now is 177.3 secs Computing kpt #: 227 total cpu time spent up to now is 178.0 secs Computing kpt #: 228 total cpu time spent up to now is 178.7 secs Computing kpt #: 229 total cpu time spent up to now is 179.4 secs Computing kpt #: 230 total cpu time spent up to now is 180.0 secs Computing kpt #: 231 total cpu time spent up to now is 180.7 secs Computing kpt #: 232 total cpu time spent up to now is 181.3 secs Computing kpt #: 233 total cpu time spent up to now is 182.0 secs Computing kpt #: 234 total cpu time spent up to now is 182.6 secs Computing kpt #: 235 total cpu time spent up to now is 183.3 secs Computing kpt #: 236 total cpu time spent up to now is 183.9 secs Computing kpt #: 237 total cpu time spent up to now is 184.5 secs Computing kpt #: 238 total cpu time spent up to now is 185.2 secs Computing kpt #: 239 total cpu time spent up to now is 185.8 secs Computing kpt #: 240 total cpu time spent up to now is 186.5 secs Computing kpt #: 241 total cpu time spent up to now is 187.1 secs Computing kpt #: 242 total cpu time spent up to now is 187.8 secs Computing kpt #: 243 total cpu time spent up to now is 188.5 secs Computing kpt #: 244 total cpu time spent up to now is 189.2 secs Computing kpt #: 245 total cpu time spent up to now is 190.0 secs Computing kpt #: 246 total cpu time spent up to now is 190.8 secs Computing kpt #: 247 total cpu time spent up to now is 191.7 secs Computing kpt #: 248 total cpu time spent up to now is 192.5 secs Computing kpt #: 249 total cpu time spent up to now is 193.4 secs Computing kpt #: 250 total cpu time spent up to now is 194.2 secs Computing kpt #: 251 total cpu time spent up to now is 195.1 secs Computing kpt #: 252 total cpu time spent up to now is 195.9 secs Computing kpt #: 253 total cpu time spent up to now is 196.8 secs Computing kpt #: 254 total cpu time spent up to now is 197.6 secs Computing kpt #: 255 total cpu time spent up to now is 198.4 secs Computing kpt #: 256 total cpu time spent up to now is 199.2 secs ethr = 2.27E-08, avg # of iterations = 23.3 total cpu time spent up to now is 199.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8829 PWs) bands (ev): -16.5952 -16.5952 -16.4210 -16.4210 -16.4210 -16.4210 -13.7119 -13.7119 -11.1241 -11.1241 -11.1241 -11.1241 -8.6717 -8.6717 -8.4994 -8.4994 -8.4994 -8.4994 -2.5204 -2.5204 -1.1516 -1.1516 -1.1516 -1.1516 0.3928 0.3928 0.4656 0.4656 0.8923 0.8923 0.8923 0.8923 2.3229 2.3229 2.3229 2.3229 2.3512 2.3512 2.4192 2.4192 2.5493 2.5493 2.5493 2.5493 10.6325 10.6325 10.6325 10.6325 10.9176 10.9176 11.3487 11.3487 k = 0.0000 0.0152-0.0000 ( 8877 PWs) bands (ev): -16.5950 -16.5950 -16.4210 -16.4210 -16.4209 -16.4209 -13.7119 -13.7119 -11.1243 -11.1243 -11.1241 -11.1241 -8.6717 -8.6717 -8.4999 -8.4999 -8.4994 -8.4994 -2.5204 -2.5204 -1.1520 -1.1520 -1.1513 -1.1513 0.3556 0.3556 0.4918 0.4918 0.8921 0.8921 0.9053 0.9053 2.3227 2.3227 2.3227 2.3227 2.3510 2.3510 2.4193 2.4193 2.5491 2.5491 2.5495 2.5495 10.6338 10.6338 10.6341 10.6341 10.9161 10.9161 11.3492 11.3492 k = 0.0000 0.0303-0.0000 ( 8877 PWs) bands (ev): -16.5945 -16.5945 -16.4210 -16.4210 -16.4207 -16.4207 -13.7120 -13.7120 -11.1249 -11.1249 -11.1241 -11.1241 -8.6718 -8.6718 -8.5012 -8.5012 -8.4994 -8.4994 -2.5203 -2.5203 -1.1533 -1.1533 -1.1501 -1.1501 0.2903 0.2903 0.5259 0.5259 0.8917 0.8917 0.9430 0.9430 2.3221 2.3221 2.3223 2.3223 2.3506 2.3506 2.4197 2.4197 2.5484 2.5484 2.5501 2.5501 10.6379 10.6379 10.6384 10.6384 10.9123 10.9123 11.3507 11.3507 k = 0.0000 0.0455-0.0000 ( 8869 PWs) bands (ev): -16.5936 -16.5936 -16.4210 -16.4210 -16.4204 -16.4204 -13.7121 -13.7121 -11.1260 -11.1260 -11.1241 -11.1241 -8.6719 -8.6719 -8.5035 -8.5035 -8.4994 -8.4994 -2.5201 -2.5201 -1.1553 -1.1553 -1.1483 -1.1483 0.2182 0.2182 0.5505 0.5505 0.8910 0.8910 1.0008 1.0008 2.3211 2.3211 2.3217 2.3217 2.3498 2.3498 2.4203 2.4203 2.5472 2.5472 2.5513 2.5513 10.6436 10.6436 10.6446 10.6446 10.9081 10.9081 11.3530 11.3530 k = 0.0000 0.0606-0.0000 ( 8889 PWs) bands (ev): -16.5924 -16.5924 -16.4209 -16.4209 -16.4199 -16.4199 -13.7123 -13.7123 -11.1274 -11.1274 -11.1241 -11.1241 -8.6720 -8.6720 -8.5067 -8.5067 -8.4994 -8.4994 -2.5199 -2.5199 -1.1582 -1.1582 -1.1457 -1.1457 0.1441 0.1441 0.5667 0.5667 0.8900 0.8900 1.0729 1.0729 2.3198 2.3198 2.3208 2.3208 2.3487 2.3487 2.4212 2.4212 2.5456 2.5456 2.5533 2.5533 10.6466 10.6466 10.6539 10.6539 10.9069 10.9069 11.3556 11.3556 k = 0.0000 0.0758-0.0000 ( 8885 PWs) bands (ev): -16.5909 -16.5909 -16.4209 -16.4209 -16.4193 -16.4193 -13.7125 -13.7125 -11.1293 -11.1293 -11.1241 -11.1241 -8.6722 -8.6722 -8.5108 -8.5108 -8.4995 -8.4995 -2.5196 -2.5196 -1.1620 -1.1620 -1.1424 -1.1424 0.0701 0.0701 0.5769 0.5769 0.8887 0.8887 1.1539 1.1539 2.3181 2.3181 2.3197 2.3197 2.3474 2.3474 2.4223 2.4223 2.5436 2.5436 2.5567 2.5567 10.6431 10.6431 10.6658 10.6658 10.9135 10.9135 11.3584 11.3584 k = 0.0000 0.0909-0.0000 ( 8897 PWs) bands (ev): -16.5891 -16.5891 -16.4209 -16.4209 -16.4186 -16.4186 -13.7128 -13.7128 -11.1315 -11.1315 -11.1242 -11.1242 -8.6724 -8.6724 -8.5156 -8.5156 -8.4995 -8.4995 -2.5192 -2.5192 -1.1666 -1.1666 -1.1384 -1.1384 -0.0025 -0.0025 0.5834 0.5834 0.8871 0.8871 1.2399 1.2399 2.3160 2.3160 2.3184 2.3184 2.3458 2.3458 2.4238 2.4238 2.5412 2.5412 2.5620 2.5620 10.6297 10.6297 10.6801 10.6801 10.9315 10.9315 11.3609 11.3609 k = 0.0000 0.1061-0.0000 ( 8897 PWs) bands (ev): -16.5869 -16.5869 -16.4209 -16.4209 -16.4177 -16.4177 -13.7132 -13.7132 -11.1342 -11.1342 -11.1242 -11.1242 -8.6727 -8.6727 -8.5212 -8.5212 -8.4996 -8.4996 -2.5188 -2.5188 -1.1722 -1.1722 -1.1338 -1.1338 -0.0728 -0.0728 0.5876 0.5876 0.8852 0.8852 1.3277 1.3277 2.3136 2.3136 2.3169 2.3169 2.3441 2.3441 2.4254 2.4254 2.5384 2.5384 2.5703 2.5703 10.6051 10.6051 10.6969 10.6969 10.9624 10.9624 11.3632 11.3632 k = 0.0000 0.1212-0.0000 ( 8881 PWs) bands (ev): -16.5846 -16.5846 -16.4208 -16.4208 -16.4167 -16.4167 -13.7135 -13.7135 -11.1371 -11.1371 -11.1243 -11.1243 -8.6730 -8.6730 -8.5276 -8.5276 -8.4996 -8.4996 -2.5184 -2.5184 -1.1788 -1.1788 -1.1285 -1.1285 -0.1403 -0.1403 0.5901 0.5901 0.8830 0.8830 1.4148 1.4148 2.3108 2.3108 2.3152 2.3152 2.3421 2.3421 2.4270 2.4270 2.5352 2.5352 2.5828 2.5828 10.5704 10.5704 10.7159 10.7159 11.0048 11.0048 11.3654 11.3654 k = 0.0000 0.1364-0.0000 ( 8869 PWs) bands (ev): -16.5819 -16.5819 -16.4208 -16.4208 -16.4156 -16.4156 -13.7140 -13.7140 -11.1404 -11.1404 -11.1243 -11.1243 -8.6733 -8.6733 -8.5345 -8.5345 -8.4997 -8.4997 -2.5180 -2.5180 -1.1864 -1.1864 -1.1226 -1.1226 -0.2045 -0.2045 0.5916 0.5916 0.8806 0.8806 1.4991 1.4991 2.3077 2.3077 2.3133 2.3133 2.3400 2.3400 2.4284 2.4284 2.5317 2.5317 2.6009 2.6009 10.5275 10.5275 10.7370 10.7370 11.0564 11.0564 11.3681 11.3681 k = 0.0000 0.1515-0.0000 ( 8869 PWs) bands (ev): -16.5791 -16.5791 -16.4207 -16.4207 -16.4144 -16.4144 -13.7144 -13.7144 -11.1440 -11.1440 -11.1244 -11.1244 -8.6737 -8.6737 -8.5421 -8.5421 -8.4997 -8.4997 -2.5175 -2.5175 -1.1950 -1.1950 -1.1162 -1.1162 -0.2651 -0.2651 0.5924 0.5924 0.8778 0.8778 1.5783 1.5783 2.3043 2.3043 2.3113 2.3113 2.3378 2.3378 2.4292 2.4292 2.5279 2.5279 2.6264 2.6264 10.4780 10.4780 10.7601 10.7601 11.1136 11.1136 11.3732 11.3732 k = 0.0000 0.1667-0.0000 ( 8866 PWs) bands (ev): -16.5761 -16.5761 -16.4207 -16.4207 -16.4131 -16.4131 -13.7149 -13.7149 -11.1479 -11.1479 -11.1244 -11.1244 -8.6740 -8.6740 -8.5502 -8.5502 -8.4998 -8.4998 -2.5171 -2.5171 -1.2047 -1.2047 -1.1093 -1.1093 -0.3219 -0.3219 0.5926 0.5926 0.8748 0.8748 1.6506 1.6506 2.3006 2.3006 2.3092 2.3092 2.3355 2.3355 2.4292 2.4292 2.5239 2.5239 2.6610 2.6610 10.4231 10.4231 10.7851 10.7851 11.1709 11.1709 11.3851 11.3851 k = 0.0000 0.1818-0.0000 ( 8878 PWs) bands (ev): -16.5729 -16.5729 -16.4206 -16.4206 -16.4117 -16.4117 -13.7154 -13.7154 -11.1520 -11.1520 -11.1245 -11.1245 -8.6744 -8.6744 -8.5587 -8.5587 -8.4998 -8.4998 -2.5167 -2.5167 -1.2154 -1.2154 -1.1020 -1.1020 -0.3747 -0.3747 0.5923 0.5923 0.8715 0.8715 1.7144 1.7144 2.2967 2.2967 2.3070 2.3070 2.3332 2.3332 2.4285 2.4285 2.5197 2.5197 2.7058 2.7058 10.3638 10.3638 10.8117 10.8117 11.2185 11.2185 11.4128 11.4128 k = 0.0000 0.1970-0.0000 ( 8886 PWs) bands (ev): -16.5696 -16.5696 -16.4206 -16.4206 -16.4101 -16.4101 -13.7159 -13.7159 -11.1564 -11.1564 -11.1246 -11.1246 -8.6748 -8.6748 -8.5675 -8.5675 -8.4999 -8.4999 -2.5163 -2.5163 -1.2272 -1.2272 -1.0942 -1.0942 -0.4235 -0.4235 0.5918 0.5918 0.8679 0.8679 1.7687 1.7687 2.2925 2.2925 2.3048 2.3048 2.3309 2.3309 2.4268 2.4268 2.5152 2.5152 2.7615 2.7615 10.3007 10.3007 10.8397 10.8397 11.2462 11.2462 11.4658 11.4658 k = 0.0000 0.2121-0.0000 ( 8874 PWs) bands (ev): -16.5662 -16.5662 -16.4205 -16.4205 -16.4085 -16.4085 -13.7165 -13.7165 -11.1609 -11.1609 -11.1246 -11.1246 -8.6753 -8.6753 -8.5767 -8.5767 -8.5000 -8.5000 -2.5160 -2.5160 -1.2400 -1.2400 -1.0862 -1.0862 -0.4683 -0.4683 0.5909 0.5909 0.8641 0.8641 1.8131 1.8131 2.2882 2.2882 2.3025 2.3025 2.3286 2.3286 2.4245 2.4245 2.5107 2.5107 2.8278 2.8278 10.2344 10.2344 10.8689 10.8689 11.2554 11.2554 11.5425 11.5425 k = 0.0000 0.2273-0.0000 ( 8866 PWs) bands (ev): -16.5628 -16.5628 -16.4205 -16.4205 -16.4068 -16.4068 -13.7171 -13.7171 -11.1655 -11.1655 -11.1247 -11.1247 -8.6757 -8.6757 -8.5860 -8.5860 -8.5000 -8.5000 -2.5157 -2.5157 -1.2537 -1.2537 -1.0779 -1.0779 -0.5089 -0.5089 0.5898 0.5898 0.8601 0.8601 1.8481 1.8481 2.2838 2.2838 2.3003 2.3003 2.3264 2.3264 2.4216 2.4216 2.5060 2.5060 2.9039 2.9039 10.1654 10.1654 10.8992 10.8992 11.2537 11.2537 11.6347 11.6347 k = 0.0000 0.2424-0.0000 ( 8866 PWs) bands (ev): -16.5594 -16.5594 -16.4204 -16.4204 -16.4051 -16.4051 -13.7176 -13.7176 -11.1702 -11.1702 -11.1248 -11.1248 -8.6761 -8.6761 -8.5954 -8.5954 -8.5001 -8.5001 -2.5155 -2.5155 -1.2682 -1.2682 -1.0693 -1.0693 -0.5456 -0.5456 0.5885 0.5885 0.8559 0.8559 1.8748 1.8748 2.2792 2.2792 2.2981 2.2981 2.3242 2.3242 2.4181 2.4181 2.5013 2.5013 2.9881 2.9881 10.0943 10.0943 10.9302 10.9302 11.2463 11.2463 11.7371 11.7371 k = 0.0000 0.2576-0.0000 ( 8858 PWs) bands (ev): -16.5559 -16.5559 -16.4204 -16.4204 -16.4033 -16.4033 -13.7182 -13.7182 -11.1750 -11.1750 -11.1248 -11.1248 -8.6766 -8.6766 -8.6048 -8.6048 -8.5002 -8.5002 -2.5153 -2.5153 -1.2834 -1.2834 -1.0607 -1.0607 -0.5784 -0.5784 0.5870 0.5870 0.8515 0.8515 1.8945 1.8945 2.2747 2.2747 2.2960 2.2960 2.3221 2.3221 2.4144 2.4144 2.4965 2.4965 3.0788 3.0788 10.0215 10.0215 10.9616 10.9616 11.2356 11.2356 11.8467 11.8467 k = 0.0000 0.2727-0.0000 ( 8858 PWs) bands (ev): -16.5525 -16.5525 -16.4203 -16.4203 -16.4015 -16.4015 -13.7188 -13.7188 -11.1798 -11.1798 -11.1249 -11.1249 -8.6770 -8.6770 -8.6142 -8.6142 -8.5002 -8.5002 -2.5152 -2.5152 -1.2990 -1.2990 -1.0520 -1.0520 -0.6076 -0.6076 0.5854 0.5854 0.8470 0.8470 1.9084 1.9084 2.2701 2.2701 2.2939 2.2939 2.3202 2.3202 2.4104 2.4104 2.4918 2.4918 3.1739 3.1739 9.9475 9.9475 10.9933 10.9933 11.2229 11.2229 11.9618 11.9618 k = 0.0000 0.2879-0.0000 ( 8882 PWs) bands (ev): -16.5492 -16.5492 -16.4202 -16.4202 -16.3996 -16.3996 -13.7194 -13.7194 -11.1846 -11.1846 -11.1250 -11.1250 -8.6775 -8.6775 -8.6234 -8.6234 -8.5003 -8.5003 -2.5152 -2.5152 -1.3149 -1.3149 -1.0434 -1.0434 -0.6334 -0.6334 0.5837 0.5837 0.8424 0.8424 1.9177 1.9177 2.2656 2.2656 2.2920 2.2920 2.3184 2.3184 2.4062 2.4062 2.4871 2.4871 3.2719 3.2719 9.8729 9.8729 11.0250 11.0250 11.2091 11.2091 11.9691 11.9691 k = 0.0000 0.3030-0.0000 ( 8874 PWs) bands (ev): -16.5460 -16.5460 -16.4202 -16.4202 -16.3977 -16.3977 -13.7199 -13.7199 -11.1893 -11.1893 -11.1251 -11.1251 -8.6779 -8.6779 -8.6323 -8.6323 -8.5004 -8.5004 -2.5153 -2.5153 -1.3308 -1.3308 -1.0348 -1.0348 -0.6559 -0.6559 0.5819 0.5819 0.8377 0.8377 1.9235 1.9235 2.2612 2.2612 2.2902 2.2902 2.3168 2.3168 2.4020 2.4020 2.4825 2.4825 3.3709 3.3709 9.7983 9.7983 11.0562 11.0562 11.1948 11.1948 11.9381 11.9381 k = 0.0000 0.3182-0.0000 ( 8870 PWs) bands (ev): -16.5429 -16.5429 -16.4201 -16.4201 -16.3959 -16.3959 -13.7204 -13.7204 -11.1938 -11.1938 -11.1251 -11.1251 -8.6783 -8.6783 -8.6409 -8.6409 -8.5004 -8.5004 -2.5154 -2.5154 -1.3464 -1.3464 -1.0265 -1.0265 -0.6756 -0.6756 0.5801 0.5801 0.8331 0.8331 1.9267 1.9267 2.2569 2.2569 2.2886 2.2886 2.3153 2.3153 2.3977 2.3977 2.4780 2.4780 3.4696 3.4696 9.7243 9.7243 11.0868 11.0868 11.1802 11.1802 11.9094 11.9094 k = 0.0000 0.3333-0.0000 ( 8854 PWs) bands (ev): -16.5400 -16.5400 -16.4201 -16.4201 -16.3941 -16.3941 -13.7210 -13.7210 -11.1982 -11.1982 -11.1252 -11.1252 -8.6787 -8.6787 -8.6492 -8.6492 -8.5005 -8.5005 -2.5155 -2.5155 -1.3617 -1.3617 -1.0184 -1.0184 -0.6926 -0.6926 0.5782 0.5782 0.8285 0.8285 1.9279 1.9279 2.2528 2.2528 2.2872 2.2872 2.3140 2.3140 2.3935 2.3935 2.4737 2.4737 3.5665 3.5665 9.6517 9.6517 11.1164 11.1164 11.1658 11.1658 11.8830 11.8830 k = 0.0000 0.3485-0.0000 ( 8862 PWs) bands (ev): -16.5373 -16.5373 -16.4200 -16.4200 -16.3924 -16.3924 -13.7214 -13.7214 -11.2024 -11.2024 -11.1252 -11.1252 -8.6791 -8.6791 -8.6569 -8.6569 -8.5005 -8.5005 -2.5158 -2.5158 -1.3763 -1.3763 -1.0107 -1.0107 -0.7073 -0.7073 0.5764 0.5764 0.8241 0.8241 1.9277 1.9277 2.2489 2.2489 2.2860 2.2860 2.3129 2.3129 2.3895 2.3895 2.4696 2.4696 3.6604 3.6604 9.5811 9.5811 11.1448 11.1448 11.1519 11.1519 11.8588 11.8588 k = 0.0000 0.3636-0.0000 ( 8862 PWs) bands (ev): -16.5348 -16.5348 -16.4200 -16.4200 -16.3907 -16.3907 -13.7219 -13.7219 -11.2063 -11.2063 -11.1253 -11.1253 -8.6794 -8.6794 -8.6642 -8.6642 -8.5006 -8.5006 -2.5160 -2.5160 -1.3900 -1.3900 -1.0035 -1.0035 -0.7197 -0.7197 0.5746 0.5746 0.8198 0.8198 1.9265 1.9265 2.2453 2.2453 2.2849 2.2849 2.3119 2.3119 2.3856 2.3856 2.4657 2.4657 3.7500 3.7500 9.5134 9.5134 11.1387 11.1387 11.1716 11.1716 11.8370 11.8370 k = 0.0000 0.3788-0.0000 ( 8874 PWs) bands (ev): -16.5325 -16.5325 -16.4200 -16.4200 -16.3891 -16.3891 -13.7223 -13.7223 -11.2099 -11.2099 -11.1254 -11.1254 -8.6797 -8.6797 -8.6708 -8.6708 -8.5006 -8.5006 -2.5163 -2.5163 -1.4027 -1.4027 -0.9967 -0.9967 -0.7303 -0.7303 0.5729 0.5729 0.8158 0.8158 1.9246 1.9246 2.2420 2.2420 2.2841 2.2841 2.3112 2.3112 2.3819 2.3819 2.4621 2.4621 3.8342 3.8342 9.4495 9.4495 11.1264 11.1264 11.1965 11.1965 11.8174 11.8174 k = 0.0000 0.3939-0.0000 ( 8866 PWs) bands (ev): -16.5304 -16.5304 -16.4199 -16.4199 -16.3877 -16.3877 -13.7227 -13.7227 -11.2132 -11.2132 -11.1254 -11.1254 -8.6800 -8.6800 -8.6768 -8.6768 -8.5007 -8.5007 -2.5166 -2.5166 -1.4143 -1.4143 -0.9906 -0.9906 -0.7392 -0.7392 0.5714 0.5714 0.8121 0.8121 1.9225 1.9225 2.2389 2.2389 2.2834 2.2834 2.3105 2.3105 2.3785 2.3785 2.4588 2.4588 3.9118 3.9118 9.3902 9.3902 11.1152 11.1152 11.2192 11.2192 11.8001 11.8001 k = 0.0000 0.4091-0.0000 ( 8866 PWs) bands (ev): -16.5286 -16.5286 -16.4199 -16.4199 -16.3864 -16.3864 -13.7230 -13.7230 -11.2162 -11.2162 -11.1254 -11.1254 -8.6821 -8.6821 -8.6803 -8.6803 -8.5007 -8.5007 -2.5169 -2.5169 -1.4245 -1.4245 -0.9851 -0.9851 -0.7465 -0.7465 0.5699 0.5699 0.8088 0.8088 1.9202 1.9202 2.2363 2.2363 2.2828 2.2828 2.3100 2.3100 2.3754 2.3754 2.4558 2.4558 3.9817 3.9817 9.3364 9.3364 11.1052 11.1052 11.2395 11.2395 11.7851 11.7851 k = 0.0000 0.4242-0.0000 ( 8886 PWs) bands (ev): -16.5271 -16.5271 -16.4199 -16.4199 -16.3853 -16.3853 -13.7233 -13.7233 -11.2187 -11.2187 -11.1255 -11.1255 -8.6867 -8.6867 -8.6805 -8.6805 -8.5008 -8.5008 -2.5171 -2.5171 -1.4333 -1.4333 -0.9804 -0.9804 -0.7525 -0.7525 0.5687 0.5687 0.8058 0.8058 1.9180 1.9180 2.2340 2.2340 2.2824 2.2824 2.3096 2.3096 2.3727 2.3727 2.4532 2.4532 4.0430 4.0430 9.2891 9.2891 11.0965 11.0965 11.2572 11.2572 11.7724 11.7724 k = 0.0000 0.4394-0.0000 ( 8886 PWs) bands (ev): -16.5258 -16.5258 -16.4198 -16.4198 -16.3843 -16.3843 -13.7236 -13.7236 -11.2208 -11.2208 -11.1255 -11.1255 -8.6905 -8.6905 -8.6807 -8.6807 -8.5008 -8.5008 -2.5174 -2.5174 -1.4406 -1.4406 -0.9764 -0.9764 -0.7572 -0.7572 0.5676 0.5676 0.8033 0.8033 1.9160 1.9160 2.2320 2.2320 2.2821 2.2821 2.3094 2.3094 2.3705 2.3705 2.4511 2.4511 4.0946 4.0946 9.2490 9.2490 11.0893 11.0893 11.2720 11.2720 11.7621 11.7621 k = 0.0000 0.4545-0.0000 ( 8878 PWs) bands (ev): -16.5248 -16.5248 -16.4198 -16.4198 -16.3836 -16.3836 -13.7237 -13.7237 -11.2225 -11.2225 -11.1255 -11.1255 -8.6934 -8.6934 -8.6809 -8.6809 -8.5008 -8.5008 -2.5175 -2.5175 -1.4464 -1.4464 -0.9733 -0.9733 -0.7607 -0.7607 0.5668 0.5668 0.8014 0.8014 1.9143 1.9143 2.2305 2.2305 2.2819 2.2819 2.3092 2.3092 2.3686 2.3686 2.4494 2.4494 4.1357 4.1357 9.2169 9.2169 11.0836 11.0836 11.2836 11.2836 11.7540 11.7540 k = 0.0000 0.4697-0.0000 ( 8882 PWs) bands (ev): -16.5241 -16.5241 -16.4198 -16.4198 -16.3830 -16.3830 -13.7239 -13.7239 -11.2237 -11.2237 -11.1255 -11.1255 -8.6956 -8.6956 -8.6810 -8.6810 -8.5008 -8.5008 -2.5177 -2.5177 -1.4505 -1.4505 -0.9710 -0.9710 -0.7632 -0.7632 0.5661 0.5661 0.7999 0.7999 1.9131 1.9131 2.2294 2.2294 2.2818 2.2818 2.3090 2.3090 2.3673 2.3673 2.4481 2.4481 4.1656 4.1656 9.1935 9.1935 11.0795 11.0795 11.2921 11.2921 11.7482 11.7482 k = 0.0000 0.4848-0.0000 ( 8862 PWs) bands (ev): -16.5236 -16.5236 -16.4198 -16.4198 -16.3827 -16.3827 -13.7240 -13.7240 -11.2244 -11.2244 -11.1256 -11.1256 -8.6969 -8.6969 -8.6810 -8.6810 -8.5008 -8.5008 -2.5178 -2.5178 -1.4530 -1.4530 -0.9696 -0.9696 -0.7646 -0.7646 0.5658 0.5658 0.7991 0.7991 1.9123 1.9123 2.2288 2.2288 2.2817 2.2817 2.3090 2.3090 2.3665 2.3665 2.4474 2.4474 4.1837 4.1837 9.1793 9.1793 11.0770 11.0770 11.2972 11.2972 11.7448 11.7448 k = 0.0000 0.5000-0.0000 ( 8858 PWs) bands (ev): -16.5235 -16.5235 -16.4198 -16.4198 -16.3826 -16.3826 -13.7240 -13.7240 -11.2247 -11.2247 -11.1256 -11.1256 -8.6973 -8.6973 -8.6810 -8.6810 -8.5008 -8.5008 -2.5178 -2.5178 -1.4538 -1.4538 -0.9692 -0.9692 -0.7651 -0.7651 0.5656 0.5656 0.7988 0.7988 1.9121 1.9121 2.2286 2.2286 2.2817 2.2817 2.3089 2.3089 2.3662 2.3662 2.4471 2.4471 4.1898 4.1898 9.1745 9.1745 11.0762 11.0762 11.2989 11.2989 11.7436 11.7436 k = 0.0000 0.5000-0.0000 ( 8858 PWs) bands (ev): -16.5235 -16.5235 -16.4198 -16.4198 -16.3826 -16.3826 -13.7240 -13.7240 -11.2247 -11.2247 -11.1256 -11.1256 -8.6973 -8.6973 -8.6810 -8.6810 -8.5008 -8.5008 -2.5178 -2.5178 -1.4538 -1.4538 -0.9692 -0.9692 -0.7651 -0.7651 0.5656 0.5656 0.7988 0.7988 1.9121 1.9121 2.2286 2.2286 2.2817 2.2817 2.3089 2.3089 2.3662 2.3662 2.4471 2.4471 4.1898 4.1898 9.1745 9.1745 11.0762 11.0762 11.2989 11.2989 11.7436 11.7436 k = 0.0152 0.5000-0.0000 ( 8874 PWs) bands (ev): -16.5233 -16.5233 -16.4197 -16.4197 -16.3825 -16.3825 -13.7240 -13.7240 -11.2247 -11.2247 -11.1257 -11.1257 -8.6974 -8.6974 -8.6811 -8.6811 -8.5012 -8.5012 -2.5180 -2.5180 -1.4555 -1.4555 -0.9695 -0.9695 -0.7688 -0.7688 0.5693 0.5693 0.8021 0.8021 1.9120 1.9120 2.2286 2.2286 2.2819 2.2819 2.3090 2.3090 2.3665 2.3665 2.4472 2.4472 4.1911 4.1911 9.1753 9.1753 11.0753 11.0753 11.3009 11.3009 11.7427 11.7427 k = 0.0303 0.5000-0.0000 ( 8878 PWs) bands (ev): -16.5228 -16.5228 -16.4196 -16.4196 -16.3825 -16.3825 -13.7240 -13.7240 -11.2249 -11.2249 -11.1262 -11.1262 -8.6976 -8.6976 -8.6811 -8.6811 -8.5022 -8.5022 -2.5184 -2.5184 -1.4605 -1.4605 -0.9704 -0.9704 -0.7796 -0.7796 0.5796 0.5796 0.8122 0.8122 1.9119 1.9119 2.2285 2.2285 2.2823 2.2823 2.3093 2.3093 2.3674 2.3674 2.4473 2.4473 4.1951 4.1951 9.1779 9.1779 11.0726 11.0726 11.3068 11.3068 11.7400 11.7400 k = 0.0455 0.5000-0.0000 ( 8874 PWs) bands (ev): -16.5220 -16.5220 -16.4193 -16.4193 -16.3824 -16.3824 -13.7240 -13.7240 -11.2251 -11.2251 -11.1270 -11.1270 -8.6980 -8.6980 -8.6812 -8.6812 -8.5039 -8.5039 -2.5192 -2.5192 -1.4688 -1.4688 -0.9720 -0.9720 -0.7966 -0.7966 0.5946 0.5946 0.8303 0.8303 1.9117 1.9117 2.2286 2.2286 2.2829 2.2829 2.3098 2.3098 2.3688 2.3688 2.4477 2.4477 4.2018 4.2018 9.1820 9.1820 11.0680 11.0680 11.3166 11.3166 11.7358 11.7358 k = 0.0606 0.5000-0.0000 ( 8874 PWs) bands (ev): -16.5209 -16.5209 -16.4189 -16.4189 -16.3822 -16.3822 -13.7240 -13.7240 -11.2255 -11.2255 -11.1281 -11.1281 -8.6986 -8.6986 -8.6813 -8.6813 -8.5063 -8.5063 -2.5202 -2.5202 -1.4805 -1.4805 -0.9741 -0.9741 -0.8186 -0.8186 0.6119 0.6119 0.8575 0.8575 1.9114 1.9114 2.2288 2.2288 2.2836 2.2836 2.3108 2.3108 2.3702 2.3702 2.4486 2.4486 4.2112 4.2112 9.1877 9.1877 11.0614 11.0614 11.3303 11.3303 11.7303 11.7303 k = 0.0758 0.5000-0.0000 ( 8878 PWs) bands (ev): -16.5195 -16.5195 -16.4185 -16.4185 -16.3821 -16.3821 -13.7239 -13.7239 -11.2259 -11.2259 -11.1294 -11.1294 -8.6994 -8.6994 -8.6815 -8.6815 -8.5093 -8.5093 -2.5215 -2.5215 -1.4956 -1.4956 -0.9769 -0.9769 -0.8440 -0.8440 0.6289 0.6289 0.8947 0.8947 1.9109 1.9109 2.2293 2.2293 2.2840 2.2840 2.3124 2.3124 2.3715 2.3715 2.4500 2.4500 4.2233 4.2233 9.1948 9.1948 11.0525 11.0525 11.3477 11.3477 11.7238 11.7238 k = 0.0909 0.5000-0.0000 ( 8872 PWs) bands (ev): -16.5177 -16.5177 -16.4179 -16.4179 -16.3819 -16.3819 -13.7239 -13.7239 -11.2265 -11.2265 -11.1311 -11.1311 -8.7003 -8.7003 -8.6816 -8.6816 -8.5128 -8.5128 -2.5230 -2.5230 -1.5141 -1.5141 -0.9804 -0.9804 -0.8714 -0.8714 0.6444 0.6444 0.9417 0.9417 1.9101 1.9101 2.2302 2.2302 2.2841 2.2841 2.3148 2.3148 2.3722 2.3722 2.4524 2.4524 4.2383 4.2383 9.2031 9.2031 11.0411 11.0411 11.3688 11.3688 11.7169 11.7169 k = 0.1061 0.5000-0.0000 ( 8880 PWs) bands (ev): -16.5158 -16.5158 -16.4171 -16.4171 -16.3816 -16.3816 -13.7239 -13.7239 -11.2272 -11.2272 -11.1329 -11.1329 -8.7014 -8.7014 -8.6818 -8.6818 -8.5169 -8.5169 -2.5248 -2.5248 -1.5359 -1.5359 -0.9850 -0.9850 -0.8992 -0.8992 0.6578 0.6578 0.9975 0.9975 1.9090 1.9090 2.2315 2.2315 2.2838 2.2838 2.3181 2.3181 2.3721 2.3721 2.4558 2.4558 4.2562 4.2562 9.2124 9.2124 11.0272 11.0272 11.3932 11.3932 11.7100 11.7100 k = 0.1212 0.5000-0.0000 ( 8880 PWs) bands (ev): -16.5136 -16.5136 -16.4163 -16.4163 -16.3813 -16.3813 -13.7239 -13.7239 -11.2280 -11.2280 -11.1350 -11.1350 -8.7027 -8.7027 -8.6821 -8.6821 -8.5214 -8.5214 -2.5269 -2.5269 -1.5609 -1.5609 -0.9912 -0.9912 -0.9257 -0.9257 0.6694 0.6694 1.0604 1.0604 1.9076 1.9076 2.2335 2.2335 2.2830 2.2830 2.3221 2.3221 2.3710 2.3710 2.4605 2.4605 4.2771 4.2771 9.2225 9.2225 11.0104 11.0104 11.4206 11.4206 11.7039 11.7039 k = 0.1364 0.5000-0.0000 ( 8884 PWs) bands (ev): -16.5112 -16.5112 -16.4153 -16.4153 -16.3810 -16.3810 -13.7239 -13.7239 -11.2289 -11.2289 -11.1373 -11.1373 -8.7043 -8.7043 -8.6823 -8.6823 -8.5263 -8.5263 -2.5291 -2.5291 -1.5888 -1.5888 -1.0007 -1.0007 -0.9483 -0.9483 0.6797 0.6797 1.1287 1.1287 1.9059 1.9059 2.2360 2.2360 2.2817 2.2817 2.3267 2.3267 2.3690 2.3690 2.4662 2.4662 4.3011 4.3011 9.2331 9.2331 10.9908 10.9908 11.4505 11.4505 11.6990 11.6990 k = 0.1515 0.5000-0.0000 ( 8876 PWs) bands (ev): -16.5087 -16.5087 -16.4142 -16.4142 -16.3807 -16.3807 -13.7238 -13.7238 -11.2300 -11.2300 -11.1398 -11.1398 -8.7061 -8.7061 -8.6826 -8.6826 -8.5316 -8.5316 -2.5315 -2.5315 -1.6193 -1.6193 -1.0156 -1.0156 -0.9646 -0.9646 0.6889 0.6889 1.2007 1.2007 1.9037 1.9037 2.2392 2.2392 2.2801 2.2801 2.3316 2.3316 2.3664 2.3664 2.4730 2.4730 4.3283 4.3283 9.2438 9.2438 10.9683 10.9683 11.4822 11.4822 11.6961 11.6961 k = 0.1667 0.5000-0.0000 ( 8882 PWs) bands (ev): -16.5060 -16.5060 -16.4130 -16.4130 -16.3803 -16.3803 -13.7238 -13.7238 -11.2312 -11.2312 -11.1423 -11.1423 -8.7081 -8.7081 -8.6829 -8.6829 -8.5371 -8.5371 -2.5340 -2.5340 -1.6520 -1.6520 -1.0352 -1.0352 -0.9747 -0.9747 0.6976 0.6976 1.2752 1.2752 1.9012 1.9012 2.2431 2.2431 2.2781 2.2781 2.3362 2.3362 2.3637 2.3637 2.4807 2.4807 4.3587 4.3587 9.2544 9.2544 10.9429 10.9429 11.5147 11.5147 11.6961 11.6961 k = 0.1818 0.5000-0.0000 ( 8882 PWs) bands (ev): -16.5033 -16.5033 -16.4116 -16.4116 -16.3799 -16.3799 -13.7238 -13.7238 -11.2326 -11.2326 -11.1450 -11.1450 -8.7103 -8.7103 -8.6832 -8.6832 -8.5427 -8.5427 -2.5367 -2.5367 -1.6864 -1.6864 -1.0568 -1.0568 -0.9810 -0.9810 0.7059 0.7059 1.3510 1.3510 1.8983 1.8983 2.2475 2.2475 2.2759 2.2759 2.3392 2.3392 2.3623 2.3623 2.4890 2.4890 4.3924 4.3924 9.2645 9.2645 10.9150 10.9150 11.5467 11.5467 11.6999 11.6999 k = 0.1970 0.5000-0.0000 ( 8878 PWs) bands (ev): -16.5005 -16.5005 -16.4101 -16.4101 -16.3795 -16.3795 -13.7237 -13.7237 -11.2341 -11.2341 -11.1477 -11.1477 -8.7128 -8.7128 -8.6835 -8.6835 -8.5484 -8.5484 -2.5394 -2.5394 -1.7220 -1.7220 -1.0787 -1.0787 -0.9855 -0.9855 0.7139 0.7139 1.4270 1.4270 1.8951 1.8951 2.2523 2.2523 2.2735 2.2735 2.3391 2.3391 2.3639 2.3639 2.4978 2.4978 4.4295 4.4295 9.2736 9.2736 10.8847 10.8847 11.5761 11.5761 11.7090 11.7090 k = 0.2121 0.5000-0.0000 ( 8882 PWs) bands (ev): -16.4977 -16.4977 -16.4084 -16.4084 -16.3791 -16.3791 -13.7237 -13.7237 -11.2358 -11.2358 -11.1504 -11.1504 -8.7156 -8.7156 -8.6838 -8.6838 -8.5542 -8.5542 -2.5422 -2.5422 -1.7583 -1.7583 -1.0998 -1.0998 -0.9890 -0.9890 0.7217 0.7217 1.5024 1.5024 1.8916 1.8916 2.2573 2.2573 2.2710 2.2710 2.3358 2.3358 2.3684 2.3684 2.5070 2.5070 4.4698 4.4698 9.2814 9.2814 10.8526 10.8526 11.6012 11.6012 11.7244 11.7244 k = 0.2273 0.5000-0.0000 ( 8882 PWs) bands (ev): -16.4949 -16.4949 -16.4066 -16.4066 -16.3786 -16.3786 -13.7236 -13.7236 -11.2377 -11.2377 -11.1531 -11.1531 -8.7186 -8.7186 -8.6842 -8.6842 -8.5598 -8.5598 -2.5450 -2.5450 -1.7949 -1.7949 -1.1200 -1.1200 -0.9918 -0.9918 0.7294 0.7294 1.5764 1.5764 1.8880 1.8880 2.2619 2.2619 2.2691 2.2691 2.3310 2.3310 2.3745 2.3745 2.5164 2.5164 4.5135 4.5135 9.2874 9.2874 10.8191 10.8191 11.6211 11.6211 11.7461 11.7461 k = 0.2424 0.5000-0.0000 ( 8886 PWs) bands (ev): -16.4922 -16.4922 -16.4046 -16.4046 -16.3782 -16.3782 -13.7236 -13.7236 -11.2397 -11.2397 -11.1557 -11.1557 -8.7219 -8.7219 -8.6845 -8.6845 -8.5653 -8.5653 -2.5478 -2.5478 -1.8313 -1.8313 -1.1392 -1.1392 -0.9942 -0.9942 0.7369 0.7369 1.6484 1.6484 1.8843 1.8843 2.2630 2.2630 2.2704 2.2704 2.3257 2.3257 2.3811 2.3811 2.5258 2.5258 4.5602 4.5602 9.2913 9.2913 10.7848 10.7848 11.6367 11.6367 11.7722 11.7722 k = 0.2576 0.5000-0.0000 ( 8884 PWs) bands (ev): -16.4896 -16.4896 -16.4026 -16.4026 -16.3777 -16.3777 -13.7236 -13.7236 -11.2419 -11.2419 -11.1582 -11.1582 -8.7254 -8.7254 -8.6848 -8.6848 -8.5706 -8.5706 -2.5505 -2.5505 -1.8672 -1.8672 -1.1572 -1.1572 -0.9961 -0.9961 0.7443 0.7443 1.7174 1.7174 1.8811 1.8811 2.2608 2.2608 2.2743 2.2743 2.3209 2.3209 2.3879 2.3879 2.5353 2.5353 4.6100 4.6100 9.2926 9.2926 10.7503 10.7503 11.6496 11.6496 11.8001 11.8001 k = 0.2727 0.5000-0.0000 ( 8884 PWs) bands (ev): -16.4871 -16.4871 -16.4004 -16.4004 -16.3772 -16.3772 -13.7235 -13.7235 -11.2441 -11.2441 -11.1606 -11.1606 -8.7291 -8.7291 -8.6852 -8.6852 -8.5756 -8.5756 -2.5531 -2.5531 -1.9022 -1.9022 -1.1742 -1.1742 -0.9977 -0.9977 0.7516 0.7516 1.7820 1.7820 1.8793 1.8793 2.2580 2.2580 2.2774 2.2774 2.3172 2.3172 2.3946 2.3946 2.5446 2.5446 4.6624 4.6624 9.2909 9.2909 10.7163 10.7163 11.6611 11.6611 11.8276 11.8276 k = 0.2879 0.5000-0.0000 ( 8886 PWs) bands (ev): -16.4848 -16.4848 -16.3982 -16.3982 -16.3767 -16.3767 -13.7235 -13.7235 -11.2465 -11.2465 -11.1629 -11.1629 -8.7330 -8.7330 -8.6855 -8.6855 -8.5803 -8.5803 -2.5556 -2.5556 -1.9359 -1.9359 -1.1902 -1.1902 -0.9990 -0.9990 0.7588 0.7588 1.8353 1.8353 1.8855 1.8855 2.2550 2.2550 2.2784 2.2784 2.3159 2.3159 2.4009 2.4009 2.5537 2.5537 4.7171 4.7171 9.2859 9.2859 10.6834 10.6834 11.6718 11.6718 11.8534 11.8534 k = 0.3030 0.5000-0.0000 ( 8886 PWs) bands (ev): -16.4826 -16.4826 -16.3959 -16.3959 -16.3762 -16.3762 -13.7235 -13.7235 -11.2490 -11.2490 -11.1650 -11.1650 -8.7370 -8.7370 -8.6858 -8.6858 -8.5846 -8.5846 -2.5580 -2.5580 -1.9683 -1.9683 -1.2051 -1.2051 -1.0000 -1.0000 0.7657 0.7657 1.8544 1.8544 1.9225 1.9225 2.2519 2.2519 2.2768 2.2768 2.3173 2.3173 2.4068 2.4068 2.5625 2.5625 4.7736 4.7736 9.2776 9.2776 10.6522 10.6522 11.6820 11.6820 11.8769 11.8769 k = 0.3182 0.5000-0.0000 ( 8886 PWs) bands (ev): -16.4806 -16.4806 -16.3937 -16.3937 -16.3757 -16.3757 -13.7234 -13.7234 -11.2515 -11.2515 -11.1669 -11.1669 -8.7410 -8.7410 -8.6862 -8.6862 -8.5886 -8.5886 -2.5602 -2.5602 -1.9990 -1.9990 -1.2190 -1.2190 -1.0008 -1.0008 0.7723 0.7723 1.8548 1.8548 1.9747 1.9747 2.2489 2.2489 2.2730 2.2730 2.3208 2.3208 2.4120 2.4120 2.5710 2.5710 4.8315 4.8315 9.2657 9.2657 10.6232 10.6232 11.6914 11.6914 11.8979 11.8979 k = 0.3333 0.5000-0.0000 ( 8870 PWs) bands (ev): -16.4787 -16.4787 -16.3914 -16.3914 -16.3751 -16.3751 -13.7234 -13.7234 -11.2541 -11.2541 -11.1687 -11.1687 -8.7451 -8.7451 -8.6865 -8.6865 -8.5922 -8.5922 -2.5621 -2.5621 -2.0279 -2.0279 -1.2319 -1.2319 -1.0014 -1.0014 0.7786 0.7786 1.8521 1.8521 2.0262 2.0262 2.2459 2.2459 2.2682 2.2682 2.3255 2.3255 2.4164 2.4164 2.5790 2.5790 4.8899 4.8899 9.2505 9.2505 10.5969 10.5969 11.7000 11.7000 11.9168 11.9168 k = 0.3485 0.5000-0.0000 ( 8882 PWs) bands (ev): -16.4771 -16.4771 -16.3893 -16.3893 -16.3745 -16.3745 -13.7234 -13.7234 -11.2566 -11.2566 -11.1702 -11.1702 -8.7491 -8.7491 -8.6868 -8.6868 -8.5955 -8.5955 -2.5639 -2.5639 -2.0548 -2.0548 -1.2437 -1.2437 -1.0018 -1.0018 0.7846 0.7846 1.8489 1.8489 2.0746 2.0746 2.2430 2.2430 2.2630 2.2630 2.3306 2.3306 2.4199 2.4199 2.5866 2.5866 4.9481 4.9481 9.2323 9.2323 10.5734 10.5734 11.7072 11.7072 11.9341 11.9341 k = 0.3636 0.5000-0.0000 ( 8878 PWs) bands (ev): -16.4756 -16.4756 -16.3872 -16.3872 -16.3739 -16.3739 -13.7233 -13.7233 -11.2590 -11.2590 -11.1716 -11.1716 -8.7530 -8.7530 -8.6871 -8.6871 -8.5983 -8.5983 -2.5655 -2.5655 -2.0795 -2.0795 -1.2545 -1.2545 -1.0021 -1.0021 0.7902 0.7902 1.8455 1.8455 2.1196 2.1196 2.2402 2.2402 2.2577 2.2577 2.3357 2.3357 2.4224 2.4224 2.5936 2.5936 5.0052 5.0052 9.2115 9.2115 10.5530 10.5530 11.7130 11.7130 11.9504 11.9504 k = 0.3788 0.5000-0.0000 ( 8892 PWs) bands (ev): -16.4743 -16.4743 -16.3854 -16.3854 -16.3733 -16.3733 -13.7233 -13.7233 -11.2613 -11.2613 -11.1729 -11.1729 -8.7567 -8.7567 -8.6873 -8.6873 -8.6009 -8.6009 -2.5668 -2.5668 -2.1020 -2.1020 -1.2642 -1.2642 -1.0023 -1.0023 0.7954 0.7954 1.8423 1.8423 2.1608 2.1608 2.2376 2.2376 2.2528 2.2528 2.3407 2.3407 2.4236 2.4236 2.6001 2.6001 5.0603 5.0603 9.1888 9.1888 10.5357 10.5357 11.7170 11.7170 11.9663 11.9663 k = 0.3939 0.5000-0.0000 ( 8898 PWs) bands (ev): -16.4731 -16.4731 -16.3838 -16.3838 -16.3726 -16.3726 -13.7233 -13.7233 -11.2635 -11.2635 -11.1739 -11.1739 -8.7602 -8.7602 -8.6875 -8.6875 -8.6030 -8.6030 -2.5679 -2.5679 -2.1222 -2.1222 -1.2729 -1.2729 -1.0024 -1.0024 0.8001 0.8001 1.8393 1.8393 2.1982 2.1982 2.2352 2.2352 2.2484 2.2484 2.3454 2.3454 2.4236 2.4236 2.6059 2.6059 5.1123 5.1123 9.1653 9.1653 10.5213 10.5213 11.7192 11.7192 11.9819 11.9819 k = 0.4091 0.5000-0.0000 ( 8894 PWs) bands (ev): -16.4722 -16.4722 -16.3824 -16.3824 -16.3719 -16.3719 -13.7233 -13.7233 -11.2655 -11.2655 -11.1748 -11.1748 -8.7633 -8.7633 -8.6878 -8.6878 -8.6049 -8.6049 -2.5688 -2.5688 -2.1399 -2.1399 -1.2804 -1.2804 -1.0024 -1.0024 0.8042 0.8042 1.8366 1.8366 2.2284 2.2284 2.2364 2.2364 2.2448 2.2448 2.3496 2.3496 2.4220 2.4220 2.6110 2.6110 5.1603 5.1603 9.1418 9.1418 10.5096 10.5096 11.7198 11.7198 11.9971 11.9971 k = 0.4242 0.5000-0.0000 ( 8890 PWs) bands (ev): -16.4713 -16.4713 -16.3813 -16.3813 -16.3712 -16.3712 -13.7232 -13.7232 -11.2672 -11.2672 -11.1756 -11.1756 -8.7660 -8.7660 -8.6879 -8.6879 -8.6064 -8.6064 -2.5695 -2.5695 -2.1550 -2.1550 -1.2869 -1.2869 -1.0024 -1.0024 0.8078 0.8078 1.8343 1.8343 2.2295 2.2295 2.2410 2.2410 2.2641 2.2641 2.3532 2.3532 2.4189 2.4189 2.6154 2.6154 5.2031 5.2031 9.1195 9.1195 10.5004 10.5004 11.7193 11.7193 12.0114 12.0114 k = 0.4394 0.5000-0.0000 ( 8880 PWs) bands (ev): -16.4707 -16.4707 -16.3804 -16.3804 -16.3705 -16.3705 -13.7232 -13.7232 -11.2687 -11.2687 -11.1762 -11.1762 -8.7683 -8.7683 -8.6881 -8.6881 -8.6076 -8.6076 -2.5700 -2.5700 -2.1675 -2.1675 -1.2921 -1.2921 -1.0024 -1.0024 0.8108 0.8108 1.8323 1.8323 2.2277 2.2277 2.2385 2.2385 2.2910 2.2910 2.3564 2.3564 2.4141 2.4141 2.6190 2.6190 5.2398 5.2398 9.0994 9.0994 10.4934 10.4934 11.7178 11.7178 12.0238 12.0238 k = 0.4545 0.5000-0.0000 ( 8884 PWs) bands (ev): -16.4702 -16.4702 -16.3798 -16.3798 -16.3700 -16.3700 -13.7232 -13.7232 -11.2698 -11.2698 -11.1767 -11.1767 -8.7702 -8.7702 -8.6882 -8.6882 -8.6086 -8.6086 -2.5704 -2.5704 -2.1773 -2.1773 -1.2963 -1.2963 -1.0023 -1.0023 0.8131 0.8131 1.8308 1.8308 2.2260 2.2260 2.2366 2.2366 2.3148 2.3148 2.3590 2.3590 2.4074 2.4074 2.6219 2.6219 5.2694 5.2694 9.0826 9.0826 10.4883 10.4883 11.7161 11.7161 12.0327 12.0327 k = 0.4697 0.5000-0.0000 ( 8876 PWs) bands (ev): -16.4698 -16.4698 -16.3793 -16.3793 -16.3695 -16.3695 -13.7232 -13.7232 -11.2707 -11.2707 -11.1770 -11.1770 -8.7715 -8.7715 -8.6883 -8.6883 -8.6092 -8.6092 -2.5707 -2.5707 -2.1843 -2.1843 -1.2992 -1.2992 -1.0023 -1.0023 0.8148 0.8148 1.8297 1.8297 2.2247 2.2247 2.2352 2.2352 2.3351 2.3351 2.3614 2.3614 2.3990 2.3990 2.6239 2.6239 5.2911 5.2911 9.0699 9.0699 10.4849 10.4849 11.7145 11.7145 12.0364 12.0364 k = 0.4848 0.5000-0.0000 ( 8868 PWs) bands (ev): -16.4696 -16.4696 -16.3791 -16.3791 -16.3692 -16.3692 -13.7232 -13.7232 -11.2712 -11.2712 -11.1772 -11.1772 -8.7723 -8.7723 -8.6883 -8.6883 -8.6096 -8.6096 -2.5708 -2.5708 -2.1886 -2.1886 -1.3010 -1.3010 -1.0023 -1.0023 0.8158 0.8158 1.8290 1.8290 2.2239 2.2239 2.2345 2.2345 2.3499 2.3499 2.3650 2.3650 2.3891 2.3891 2.6252 2.6252 5.3044 5.3044 9.0620 9.0620 10.4829 10.4829 11.7133 11.7133 12.0362 12.0362 k = 0.5000 0.5000-0.0000 ( 8868 PWs) bands (ev): -16.4695 -16.4695 -16.3790 -16.3790 -16.3691 -16.3691 -13.7232 -13.7232 -11.2714 -11.2714 -11.1773 -11.1773 -8.7726 -8.7726 -8.6884 -8.6884 -8.6098 -8.6098 -2.5708 -2.5708 -2.1900 -2.1900 -1.3016 -1.3016 -1.0022 -1.0022 0.8162 0.8162 1.8288 1.8288 2.2236 2.2236 2.2342 2.2342 2.3549 2.3549 2.3704 2.3704 2.3815 2.3815 2.6256 2.6256 5.3089 5.3089 9.0593 9.0593 10.4822 10.4822 11.7129 11.7129 12.0355 12.0355 k = 0.5000 0.5000-0.0000 ( 8868 PWs) bands (ev): -16.4695 -16.4695 -16.3790 -16.3790 -16.3691 -16.3691 -13.7232 -13.7232 -11.2714 -11.2714 -11.1773 -11.1773 -8.7726 -8.7726 -8.6884 -8.6884 -8.6098 -8.6098 -2.5708 -2.5708 -2.1900 -2.1900 -1.3016 -1.3016 -1.0022 -1.0022 0.8162 0.8162 1.8288 1.8288 2.2236 2.2236 2.2342 2.2342 2.3549 2.3549 2.3704 2.3704 2.3815 2.3815 2.6256 2.6256 5.3089 5.3089 9.0593 9.0593 10.4822 10.4822 11.7129 11.7129 12.0355 12.0355 k = 0.4894 0.4894-0.0000 ( 8868 PWs) bands (ev): -16.4696 -16.4696 -16.3791 -16.3791 -16.3692 -16.3692 -13.7232 -13.7232 -11.2712 -11.2712 -11.1772 -11.1772 -8.7723 -8.7723 -8.6883 -8.6883 -8.6096 -8.6096 -2.5708 -2.5708 -2.1886 -2.1886 -1.3010 -1.3010 -1.0023 -1.0023 0.8158 0.8158 1.8290 1.8290 2.2239 2.2239 2.2345 2.2345 2.3502 2.3502 2.3648 2.3648 2.3891 2.3891 2.6252 2.6252 5.3045 5.3045 9.0619 9.0619 10.4829 10.4829 11.7133 11.7133 12.0361 12.0361 k = 0.4787 0.4787-0.0000 ( 8878 PWs) bands (ev): -16.4698 -16.4698 -16.3793 -16.3793 -16.3695 -16.3695 -13.7232 -13.7232 -11.2707 -11.2707 -11.1770 -11.1770 -8.7715 -8.7715 -8.6883 -8.6883 -8.6092 -8.6092 -2.5707 -2.5707 -2.1844 -2.1844 -1.2992 -1.2992 -1.0023 -1.0023 0.8148 0.8148 1.8297 1.8297 2.2247 2.2247 2.2353 2.2353 2.3364 2.3364 2.3598 2.3598 2.3995 2.3995 2.6240 2.6240 5.2913 5.2913 9.0699 9.0699 10.4848 10.4848 11.7144 11.7144 12.0362 12.0362 k = 0.4681 0.4681-0.0000 ( 8886 PWs) bands (ev): -16.4702 -16.4702 -16.3797 -16.3797 -16.3700 -16.3700 -13.7232 -13.7232 -11.2698 -11.2698 -11.1767 -11.1767 -8.7702 -8.7702 -8.6882 -8.6882 -8.6086 -8.6086 -2.5704 -2.5704 -2.1775 -2.1775 -1.2963 -1.2963 -1.0023 -1.0023 0.8132 0.8132 1.8308 1.8308 2.2259 2.2259 2.2366 2.2366 2.3179 2.3179 2.3551 2.3551 2.4088 2.4088 2.6220 2.6220 5.2694 5.2694 9.0830 9.0830 10.4882 10.4882 11.7160 11.7160 12.0319 12.0319 k = 0.4574 0.4574-0.0000 ( 8896 PWs) bands (ev): -16.4707 -16.4707 -16.3803 -16.3803 -16.3706 -16.3706 -13.7232 -13.7232 -11.2686 -11.2686 -11.1762 -11.1762 -8.7683 -8.7683 -8.6881 -8.6881 -8.6077 -8.6077 -2.5700 -2.5700 -2.1678 -2.1678 -1.2923 -1.2923 -1.0024 -1.0024 0.8109 0.8109 1.8323 1.8323 2.2273 2.2273 2.2387 2.2387 2.2963 2.2963 2.3495 2.3495 2.4167 2.4167 2.6194 2.6194 5.2391 5.2391 9.1011 9.1011 10.4930 10.4930 11.7176 11.7176 12.0225 12.0225 k = 0.4468 0.4468-0.0000 ( 8900 PWs) bands (ev): -16.4713 -16.4713 -16.3810 -16.3810 -16.3714 -16.3714 -13.7232 -13.7232 -11.2671 -11.2671 -11.1757 -11.1757 -8.7659 -8.7659 -8.6879 -8.6879 -8.6066 -8.6066 -2.5695 -2.5695 -2.1555 -2.1555 -1.2872 -1.2872 -1.0025 -1.0025 0.8080 0.8080 1.8341 1.8341 2.2289 2.2289 2.2415 2.2415 2.2721 2.2721 2.3427 2.3427 2.4233 2.4233 2.6163 2.6163 5.2007 5.2007 9.1240 9.1240 10.4995 10.4995 11.7188 11.7188 12.0099 12.0099 k = 0.4362 0.4362-0.0000 ( 8904 PWs) bands (ev): -16.4722 -16.4722 -16.3820 -16.3820 -16.3724 -16.3724 -13.7232 -13.7232 -11.2653 -11.2653 -11.1750 -11.1750 -8.7630 -8.7630 -8.6877 -8.6877 -8.6052 -8.6052 -2.5687 -2.5687 -2.1406 -2.1406 -1.2810 -1.2810 -1.0025 -1.0025 0.8046 0.8046 1.8363 1.8363 2.2301 2.2301 2.2433 2.2433 2.2475 2.2475 2.3347 2.3347 2.4285 2.4285 2.6128 2.6128 5.1546 5.1546 9.1514 9.1514 10.5078 10.5078 11.7194 11.7194 11.9960 11.9960 k = 0.4255 0.4255-0.0000 ( 8896 PWs) bands (ev): -16.4732 -16.4732 -16.3830 -16.3830 -16.3734 -16.3734 -13.7232 -13.7232 -11.2632 -11.2632 -11.1742 -11.1742 -8.7596 -8.7596 -8.6875 -8.6875 -8.6035 -8.6035 -2.5678 -2.5678 -2.1233 -2.1233 -1.2738 -1.2738 -1.0026 -1.0026 0.8008 0.8008 1.8388 1.8388 2.2142 2.2142 2.2335 2.2335 2.2497 2.2497 2.3259 2.3259 2.4325 2.4325 2.6090 2.6090 5.1011 5.1011 9.1830 9.1830 10.5181 10.5181 11.7190 11.7190 11.9819 11.9819 k = 0.4149 0.4149-0.0000 ( 8890 PWs) bands (ev): -16.4743 -16.4743 -16.3843 -16.3843 -16.3745 -16.3745 -13.7232 -13.7232 -11.2607 -11.2607 -11.1733 -11.1733 -8.7556 -8.7556 -8.6873 -8.6873 -8.6017 -8.6017 -2.5666 -2.5666 -2.1034 -2.1034 -1.2657 -1.2657 -1.0026 -1.0026 0.7965 0.7965 1.8415 1.8415 2.1826 2.1826 2.2350 2.2350 2.2545 2.2545 2.3164 2.3164 2.4353 2.4353 2.6050 2.6050 5.0408 5.0408 9.2184 9.2184 10.5304 10.5304 11.7174 11.7174 11.9686 11.9686 k = 0.4043 0.4043-0.0000 ( 8886 PWs) bands (ev): -16.4757 -16.4757 -16.3857 -16.3857 -16.3758 -16.3758 -13.7232 -13.7232 -11.2580 -11.2580 -11.1722 -11.1722 -8.7512 -8.7512 -8.6870 -8.6870 -8.5996 -8.5996 -2.5652 -2.5652 -2.0813 -2.0813 -1.2567 -1.2567 -1.0026 -1.0026 0.7918 0.7918 1.8444 1.8444 2.1481 2.1481 2.2370 2.2370 2.2593 2.2593 2.3069 2.3069 2.4370 2.4370 2.6010 2.6010 4.9742 4.9742 9.2573 9.2573 10.5447 10.5447 11.7145 11.7145 11.9566 11.9566 k = 0.3936 0.3936-0.0000 ( 8886 PWs) bands (ev): -16.4773 -16.4773 -16.3872 -16.3872 -16.3770 -16.3770 -13.7232 -13.7232 -11.2550 -11.2550 -11.1711 -11.1711 -8.7463 -8.7463 -8.6867 -8.6867 -8.5973 -8.5973 -2.5636 -2.5636 -2.0568 -2.0568 -1.2469 -1.2469 -1.0025 -1.0025 0.7869 0.7869 1.8472 1.8472 2.1113 2.1113 2.2391 2.2391 2.2633 2.2633 2.2983 2.2983 2.4377 2.4377 2.5970 2.5970 4.9017 4.9017 9.2993 9.2993 10.5611 10.5611 11.7104 11.7104 11.9463 11.9463 k = 0.3830 0.3830-0.0000 ( 8886 PWs) bands (ev): -16.4791 -16.4791 -16.3889 -16.3889 -16.3784 -16.3784 -13.7232 -13.7232 -11.2517 -11.2517 -11.1699 -11.1699 -8.7410 -8.7410 -8.6863 -8.6863 -8.5949 -8.5949 -2.5617 -2.5617 -2.0302 -2.0302 -1.2364 -1.2364 -1.0024 -1.0024 0.7818 0.7818 1.8499 1.8499 2.0723 2.0723 2.2412 2.2412 2.2640 2.2640 2.2933 2.2933 2.4375 2.4375 2.5931 2.5931 4.8239 4.8239 9.3441 9.3441 10.5794 10.5794 11.7051 11.7051 11.9377 11.9377 k = 0.3723 0.3723-0.0000 ( 8872 PWs) bands (ev): -16.4811 -16.4811 -16.3906 -16.3906 -16.3797 -16.3797 -13.7231 -13.7231 -11.2482 -11.2482 -11.1686 -11.1686 -8.7352 -8.7352 -8.6860 -8.6860 -8.5922 -8.5922 -2.5596 -2.5596 -2.0015 -2.0015 -1.2253 -1.2253 -1.0020 -1.0020 0.7765 0.7765 1.8523 1.8523 2.0315 2.0315 2.2434 2.2434 2.2596 2.2596 2.2942 2.2942 2.4364 2.4364 2.5893 2.5893 4.7412 4.7412 9.3912 9.3912 10.5996 10.5996 11.6989 11.6989 11.9307 11.9307 k = 0.3617 0.3617-0.0000 ( 8888 PWs) bands (ev): -16.4834 -16.4834 -16.3924 -16.3924 -16.3812 -16.3812 -13.7231 -13.7231 -11.2444 -11.2444 -11.1672 -11.1672 -8.7290 -8.7290 -8.6856 -8.6856 -8.5894 -8.5894 -2.5573 -2.5573 -1.9707 -1.9707 -1.2138 -1.2138 -1.0014 -1.0014 0.7711 0.7711 1.8538 1.8538 1.9895 1.9895 2.2446 2.2446 2.2526 2.2526 2.2993 2.2993 2.4347 2.4347 2.5857 2.5857 4.6543 4.6543 9.4403 9.4403 10.6215 10.6215 11.6919 11.6919 11.9250 11.9250 k = 0.3511 0.3511-0.0000 ( 8888 PWs) bands (ev): -16.4859 -16.4859 -16.3943 -16.3943 -16.3826 -16.3826 -13.7230 -13.7230 -11.2405 -11.2405 -11.1657 -11.1657 -8.7224 -8.7224 -8.6851 -8.6851 -8.5864 -8.5864 -2.5548 -2.5548 -1.9380 -1.9380 -1.2020 -1.2020 -1.0005 -1.0005 0.7657 0.7657 1.8534 1.8534 1.9474 1.9474 2.2397 2.2397 2.2508 2.2508 2.3062 2.3062 2.4323 2.4323 2.5823 2.5823 4.5635 4.5635 9.4911 9.4911 10.6448 10.6448 11.6842 11.6842 11.9203 11.9203 k = 0.3404 0.3404-0.0000 ( 8900 PWs) bands (ev): -16.4886 -16.4886 -16.3961 -16.3961 -16.3841 -16.3841 -13.7229 -13.7229 -11.2363 -11.2363 -11.1642 -11.1642 -8.7154 -8.7154 -8.6847 -8.6847 -8.5833 -8.5833 -2.5522 -2.5522 -1.9034 -1.9034 -1.1901 -1.1901 -0.9992 -0.9992 0.7604 0.7604 1.8472 1.8472 1.9092 1.9092 2.2312 2.2312 2.2530 2.2530 2.3140 2.3140 2.4294 2.4294 2.5790 2.5790 4.4693 4.4693 9.5431 9.5431 10.6692 10.6692 11.6759 11.6759 11.9161 11.9161 k = 0.3298 0.3298-0.0000 ( 8904 PWs) bands (ev): -16.4917 -16.4917 -16.3979 -16.3979 -16.3856 -16.3856 -13.7227 -13.7227 -11.2320 -11.2320 -11.1626 -11.1626 -8.7081 -8.7081 -8.6842 -8.6842 -8.5800 -8.5800 -2.5495 -2.5495 -1.8671 -1.8671 -1.1783 -1.1783 -0.9972 -0.9972 0.7551 0.7551 1.8244 1.8244 1.8860 1.8860 2.2229 2.2229 2.2557 2.2557 2.3223 2.3223 2.4260 2.4260 2.5759 2.5759 4.3722 4.3722 9.5962 9.5962 10.6944 10.6944 11.6670 11.6670 11.9118 11.9118 k = 0.3191 0.3191-0.0000 ( 8904 PWs) bands (ev): -16.4949 -16.4949 -16.3997 -16.3997 -16.3872 -16.3872 -13.7226 -13.7226 -11.2275 -11.2275 -11.1610 -11.1610 -8.7005 -8.7005 -8.6836 -8.6836 -8.5766 -8.5766 -2.5467 -2.5467 -1.8292 -1.8292 -1.1668 -1.1668 -0.9944 -0.9944 0.7500 0.7500 1.7844 1.7844 1.8786 1.8786 2.2157 2.2157 2.2587 2.2587 2.3307 2.3307 2.4223 2.4223 2.5729 2.5729 4.2727 4.2727 9.6500 9.6500 10.7200 10.7200 11.6571 11.6571 11.9069 11.9069 k = 0.3085 0.3085-0.0000 ( 8894 PWs) bands (ev): -16.4984 -16.4984 -16.4014 -16.4014 -16.3887 -16.3887 -13.7224 -13.7224 -11.2229 -11.2229 -11.1593 -11.1593 -8.6928 -8.6928 -8.6828 -8.6828 -8.5732 -8.5732 -2.5439 -2.5439 -1.7897 -1.7897 -1.1559 -1.1559 -0.9905 -0.9905 0.7451 0.7451 1.7378 1.7378 1.8763 1.8763 2.2096 2.2096 2.2618 2.2618 2.3393 2.3393 2.4184 2.4184 2.5700 2.5700 4.1711 4.1711 9.7042 9.7042 10.7456 10.7456 11.6459 11.6459 11.9008 11.9008 k = 0.2979 0.2979-0.0000 ( 8884 PWs) bands (ev): -16.5021 -16.5021 -16.4031 -16.4031 -16.3903 -16.3903 -13.7221 -13.7221 -11.2182 -11.2182 -11.1576 -11.1576 -8.6859 -8.6859 -8.6810 -8.6810 -8.5696 -8.5696 -2.5411 -2.5411 -1.7490 -1.7490 -1.1458 -1.1458 -0.9852 -0.9852 0.7403 0.7403 1.6890 1.6890 1.8751 1.8751 2.2050 2.2050 2.2650 2.2650 2.3479 2.3479 2.4142 2.4142 2.5673 2.5673 4.0679 4.0679 9.7587 9.7587 10.7709 10.7709 11.6328 11.6328 11.8928 11.8928 k = 0.2872 0.2872-0.0000 ( 8880 PWs) bands (ev): -16.5061 -16.5061 -16.4046 -16.4046 -16.3919 -16.3919 -13.7219 -13.7219 -11.2134 -11.2134 -11.1558 -11.1558 -8.6831 -8.6831 -8.6747 -8.6747 -8.5660 -8.5660 -2.5384 -2.5384 -1.7070 -1.7070 -1.1369 -1.1369 -0.9783 -0.9783 0.7358 0.7358 1.6393 1.6393 1.8739 1.8739 2.2020 2.2020 2.2683 2.2683 2.3563 2.3563 2.4100 2.4100 2.5647 2.5647 3.9636 3.9636 9.8131 9.8131 10.7954 10.7954 11.6170 11.6170 11.8820 11.8820 k = 0.2766 0.2766-0.0000 ( 8888 PWs) bands (ev): -16.5102 -16.5102 -16.4061 -16.4061 -16.3935 -16.3935 -13.7216 -13.7216 -11.2085 -11.2085 -11.1540 -11.1540 -8.6822 -8.6822 -8.6663 -8.6663 -8.5624 -8.5624 -2.5358 -2.5358 -1.6642 -1.6642 -1.1293 -1.1293 -0.9692 -0.9692 0.7314 0.7314 1.5892 1.5892 1.8724 1.8724 2.2005 2.2005 2.2717 2.2717 2.3645 2.3645 2.4059 2.4059 2.5621 2.5621 3.8584 3.8584 9.8674 9.8674 10.8186 10.8186 11.5978 11.5978 11.8677 11.8677 k = 0.2660 0.2660-0.0000 ( 8878 PWs) bands (ev): -16.5145 -16.5145 -16.4075 -16.4075 -16.3951 -16.3951 -13.7213 -13.7213 -11.2036 -11.2036 -11.1523 -11.1523 -8.6816 -8.6816 -8.6576 -8.6576 -8.5587 -8.5587 -2.5333 -2.5333 -1.6208 -1.6208 -1.1232 -1.1232 -0.9579 -0.9579 0.7273 0.7273 1.5391 1.5391 1.8704 1.8704 2.2005 2.2005 2.2751 2.2751 2.3721 2.3721 2.4021 2.4021 2.5597 2.5597 3.7530 3.7530 9.9213 9.9213 10.8401 10.8401 11.5744 11.5744 11.8493 11.8493 k = 0.2553 0.2553-0.0000 ( 8866 PWs) bands (ev): -16.5189 -16.5189 -16.4087 -16.4087 -16.3968 -16.3968 -13.7209 -13.7209 -11.1987 -11.1987 -11.1505 -11.1505 -8.6809 -8.6809 -8.6486 -8.6486 -8.5550 -8.5550 -2.5309 -2.5309 -1.5771 -1.5771 -1.1185 -1.1185 -0.9439 -0.9439 0.7234 0.7234 1.4895 1.4895 1.8677 1.8677 2.2019 2.2019 2.2785 2.2785 2.3787 2.3787 2.3991 2.3991 2.5574 2.5574 3.6476 3.6476 9.9747 9.9747 10.8596 10.8596 11.5462 11.5462 11.8262 11.8262 k = 0.2447 0.2447-0.0000 ( 8862 PWs) bands (ev): -16.5235 -16.5235 -16.4099 -16.4099 -16.3984 -16.3984 -13.7206 -13.7206 -11.1938 -11.1938 -11.1487 -11.1487 -8.6803 -8.6803 -8.6396 -8.6396 -8.5513 -8.5513 -2.5287 -2.5287 -1.5335 -1.5335 -1.1153 -1.1153 -0.9270 -0.9270 0.7196 0.7196 1.4405 1.4405 1.8642 1.8642 2.2046 2.2046 2.2820 2.2820 2.3824 2.3824 2.3988 2.3988 2.5552 2.5552 3.5429 3.5429 10.0275 10.0275 10.8766 10.8766 11.5132 11.5132 11.7984 11.7984 k = 0.2340 0.2340-0.0000 ( 8868 PWs) bands (ev): -16.5281 -16.5281 -16.4110 -16.4110 -16.4000 -16.4000 -13.7202 -13.7202 -11.1889 -11.1889 -11.1469 -11.1469 -8.6798 -8.6798 -8.6305 -8.6305 -8.5476 -8.5476 -2.5267 -2.5267 -1.4906 -1.4906 -1.1134 -1.1134 -0.9070 -0.9070 0.7159 0.7159 1.3924 1.3924 1.8598 1.8598 2.2084 2.2084 2.2854 2.2854 2.3820 2.3820 2.4023 2.4023 2.5531 2.5531 3.4394 3.4394 10.0796 10.0796 10.8907 10.8907 11.4756 11.4756 11.7660 11.7660 k = 0.2234 0.2234-0.0000 ( 8854 PWs) bands (ev): -16.5327 -16.5327 -16.4120 -16.4120 -16.4016 -16.4016 -13.7197 -13.7197 -11.1840 -11.1840 -11.1452 -11.1452 -8.6792 -8.6792 -8.6213 -8.6213 -8.5440 -8.5440 -2.5249 -2.5249 -1.4489 -1.4489 -1.1125 -1.1125 -0.8835 -0.8835 0.7123 0.7123 1.3455 1.3455 1.8541 1.8541 2.2132 2.2132 2.2889 2.2889 2.3792 2.3792 2.4079 2.4079 2.5512 2.5512 3.3377 3.3377 10.1309 10.1309 10.9016 10.9016 11.4340 11.4340 11.7300 11.7300 k = 0.2128 0.2128-0.0000 ( 8858 PWs) bands (ev): -16.5374 -16.5374 -16.4130 -16.4130 -16.4031 -16.4031 -13.7193 -13.7193 -11.1793 -11.1793 -11.1435 -11.1435 -8.6786 -8.6786 -8.6122 -8.6122 -8.5404 -8.5404 -2.5233 -2.5233 -1.4091 -1.4091 -1.1126 -1.1126 -0.8560 -0.8560 0.7087 0.7087 1.2999 1.2999 1.8467 1.8467 2.2188 2.2188 2.2923 2.2923 2.3758 2.3758 2.4140 2.4140 2.5494 2.5494 3.2385 3.2385 10.1812 10.1812 10.9089 10.9089 11.3891 11.3891 11.6916 11.6916 k = 0.2021 0.2021-0.0000 ( 8874 PWs) bands (ev): -16.5420 -16.5420 -16.4138 -16.4138 -16.4046 -16.4046 -13.7188 -13.7188 -11.1746 -11.1746 -11.1418 -11.1418 -8.6780 -8.6780 -8.6031 -8.6031 -8.5369 -8.5369 -2.5219 -2.5219 -1.3718 -1.3718 -1.1134 -1.1134 -0.8243 -0.8243 0.7050 0.7050 1.2561 1.2561 1.8371 1.8371 2.2251 2.2251 2.2956 2.2956 2.3722 2.3722 2.4198 2.4198 2.5478 2.5478 3.1426 3.1426 10.2305 10.2305 10.9124 10.9124 11.3419 11.3419 11.6522 11.6522 k = 0.1915 0.1915-0.0000 ( 8858 PWs) bands (ev): -16.5466 -16.5466 -16.4147 -16.4147 -16.4061 -16.4061 -13.7183 -13.7183 -11.1700 -11.1700 -11.1402 -11.1402 -8.6775 -8.6775 -8.5942 -8.5942 -8.5335 -8.5335 -2.5207 -2.5207 -1.3374 -1.3374 -1.1148 -1.1148 -0.7879 -0.7879 0.7012 0.7012 1.2141 1.2141 1.8245 1.8245 2.2318 2.2318 2.2988 2.2988 2.3686 2.3686 2.4252 2.4252 2.5464 2.5464 3.0510 3.0510 10.2788 10.2788 10.9117 10.9117 11.2934 11.2934 11.6133 11.6133 k = 0.1809 0.1809-0.0000 ( 8848 PWs) bands (ev): -16.5512 -16.5512 -16.4154 -16.4154 -16.4076 -16.4076 -13.7178 -13.7178 -11.1655 -11.1655 -11.1386 -11.1386 -8.6769 -8.6769 -8.5854 -8.5854 -8.5302 -8.5302 -2.5198 -2.5198 -1.3065 -1.3065 -1.1167 -1.1167 -0.7466 -0.7466 0.6970 0.6970 1.1743 1.1743 1.8079 1.8079 2.2389 2.2389 2.3020 2.3020 2.3652 2.3652 2.4301 2.4301 2.5452 2.5452 2.9647 2.9647 10.3257 10.3257 10.9068 10.9068 11.2443 11.2443 11.5761 11.5761 k = 0.1702 0.1702-0.0000 ( 8848 PWs) bands (ev): -16.5556 -16.5556 -16.4161 -16.4161 -16.4090 -16.4090 -13.7173 -13.7173 -11.1612 -11.1612 -11.1371 -11.1371 -8.6764 -8.6764 -8.5768 -8.5768 -8.5270 -8.5270 -2.5191 -2.5191 -1.2792 -1.2792 -1.1189 -1.1189 -0.7002 -0.7002 0.6924 0.6924 1.1367 1.1367 1.7864 1.7864 2.2461 2.2461 2.3050 2.3050 2.3620 2.3620 2.4342 2.4342 2.5441 2.5441 2.8851 2.8851 10.3714 10.3714 10.8977 10.8977 11.1954 11.1954 11.5416 11.5416 k = 0.1596 0.1596-0.0000 ( 8854 PWs) bands (ev): -16.5599 -16.5599 -16.4167 -16.4167 -16.4103 -16.4103 -13.7168 -13.7168 -11.1570 -11.1570 -11.1356 -11.1356 -8.6759 -8.6759 -8.5685 -8.5685 -8.5239 -8.5239 -2.5185 -2.5185 -1.2556 -1.2556 -1.1214 -1.1214 -0.6487 -0.6487 0.6873 0.6873 1.1018 1.1018 1.7589 1.7589 2.2535 2.2535 2.3079 2.3079 2.3590 2.3590 2.4374 2.4374 2.5434 2.5434 2.8132 2.8132 10.4154 10.4154 10.8845 10.8845 11.1474 11.1474 11.5104 11.5104 k = 0.1489 0.1489-0.0000 ( 8862 PWs) bands (ev): -16.5640 -16.5640 -16.4173 -16.4173 -16.4116 -16.4116 -13.7163 -13.7163 -11.1531 -11.1531 -11.1342 -11.1342 -8.6754 -8.6754 -8.5605 -8.5605 -8.5209 -8.5209 -2.5182 -2.5182 -1.2354 -1.2354 -1.1241 -1.1241 -0.5925 -0.5925 0.6816 0.6816 1.0695 1.0695 1.7244 1.7244 2.2609 2.2609 2.3106 2.3106 2.3563 2.3563 2.4396 2.4396 2.5428 2.5428 2.7503 2.7503 10.4577 10.4577 10.8678 10.8678 11.1011 11.1011 11.4828 11.4828 k = 0.1383 0.1383-0.0000 ( 8852 PWs) bands (ev): -16.5680 -16.5680 -16.4178 -16.4178 -16.4128 -16.4128 -13.7158 -13.7158 -11.1493 -11.1493 -11.1329 -11.1329 -8.6749 -8.6749 -8.5528 -8.5528 -8.5181 -8.5181 -2.5180 -2.5180 -1.2185 -1.2185 -1.1269 -1.1269 -0.5318 -0.5318 0.6751 0.6751 1.0401 1.0401 1.6820 1.6820 2.2682 2.2682 2.3131 2.3131 2.3539 2.3539 2.4407 2.4407 2.5425 2.5425 2.6972 2.6972 10.4978 10.4978 10.8480 10.8480 11.0570 11.0570 11.4589 11.4589 k = 0.1277 0.1277-0.0000 ( 8852 PWs) bands (ev): -16.5718 -16.5718 -16.4183 -16.4183 -16.4140 -16.4140 -13.7153 -13.7153 -11.1458 -11.1458 -11.1316 -11.1316 -8.6745 -8.6745 -8.5454 -8.5454 -8.5155 -8.5155 -2.5179 -2.5179 -1.2045 -1.2045 -1.1298 -1.1298 -0.4672 -0.4672 0.6679 0.6679 1.0137 1.0137 1.6317 1.6317 2.2753 2.2753 2.3153 2.3153 2.3518 2.3518 2.4405 2.4405 2.5424 2.5424 2.6541 2.6541 10.5353 10.5353 10.8260 10.8260 11.0159 11.0159 11.4385 11.4385 k = 0.1170 0.1170-0.0000 ( 8854 PWs) bands (ev): -16.5753 -16.5753 -16.4187 -16.4187 -16.4150 -16.4150 -13.7148 -13.7148 -11.1424 -11.1424 -11.1305 -11.1305 -8.6741 -8.6741 -8.5385 -8.5385 -8.5130 -8.5130 -2.5180 -2.5180 -1.1929 -1.1929 -1.1326 -1.1326 -0.3990 -0.3990 0.6598 0.6598 0.9904 0.9904 1.5736 1.5736 2.2822 2.2822 2.3173 2.3173 2.3501 2.3501 2.4391 2.4391 2.5426 2.5426 2.6209 2.6209 10.5696 10.5696 10.8026 10.8026 10.9786 10.9786 11.4212 11.4212 k = 0.1064 0.1064-0.0000 ( 8862 PWs) bands (ev): -16.5786 -16.5786 -16.4191 -16.4191 -16.4160 -16.4160 -13.7143 -13.7143 -11.1394 -11.1394 -11.1294 -11.1294 -8.6737 -8.6737 -8.5321 -8.5321 -8.5107 -8.5107 -2.5182 -2.5182 -1.1834 -1.1834 -1.1354 -1.1354 -0.3277 -0.3277 0.6508 0.6508 0.9701 0.9701 1.5087 1.5087 2.2888 2.2888 2.3190 2.3190 2.3488 2.3488 2.4366 2.4366 2.5429 2.5429 2.5965 2.5965 10.5998 10.5998 10.7786 10.7786 10.9462 10.9462 11.4065 11.4065 k = 0.0957 0.0957-0.0000 ( 8876 PWs) bands (ev): -16.5817 -16.5817 -16.4195 -16.4195 -16.4170 -16.4170 -13.7139 -13.7139 -11.1365 -11.1365 -11.1284 -11.1284 -8.6733 -8.6733 -8.5261 -8.5261 -8.5086 -8.5086 -2.5184 -2.5184 -1.1757 -1.1757 -1.1382 -1.1382 -0.2537 -0.2537 0.6410 0.6410 0.9527 0.9527 1.4380 1.4380 2.2950 2.2950 2.3203 2.3203 2.3479 2.3479 2.4335 2.4335 2.5435 2.5435 2.5794 2.5794 10.6246 10.6246 10.7548 10.7548 10.9198 10.9198 11.3943 11.3943 k = 0.0851 0.0851-0.0000 ( 8880 PWs) bands (ev): -16.5844 -16.5844 -16.4198 -16.4198 -16.4178 -16.4178 -13.7135 -13.7135 -11.1340 -11.1340 -11.1275 -11.1275 -8.6730 -8.6730 -8.5207 -8.5207 -8.5067 -8.5067 -2.5187 -2.5187 -1.1696 -1.1696 -1.1407 -1.1407 -0.1775 -0.1775 0.6304 0.6304 0.9381 0.9381 1.3631 1.3631 2.3008 2.3008 2.3213 2.3213 2.3475 2.3475 2.4302 2.4302 2.5441 2.5441 2.5679 2.5679 10.6428 10.6428 10.7318 10.7318 10.9009 10.9009 11.3839 11.3839 k = 0.0745 0.0745-0.0000 ( 8881 PWs) bands (ev): -16.5869 -16.5869 -16.4201 -16.4201 -16.4185 -16.4185 -13.7131 -13.7131 -11.1317 -11.1317 -11.1267 -11.1267 -8.6727 -8.6727 -8.5158 -8.5158 -8.5050 -8.5050 -2.5190 -2.5190 -1.1646 -1.1646 -1.1431 -1.1431 -0.0996 -0.0996 0.6189 0.6189 0.9260 0.9260 1.2856 1.2856 2.3059 2.3059 2.3221 2.3221 2.3475 2.3475 2.4272 2.4272 2.5449 2.5449 2.5604 2.5604 10.6534 10.6534 10.7103 10.7103 10.8904 10.8904 11.3752 11.3752 k = 0.0638 0.0638-0.0000 ( 8873 PWs) bands (ev): -16.5891 -16.5891 -16.4203 -16.4203 -16.4192 -16.4192 -13.7128 -13.7128 -11.1297 -11.1297 -11.1260 -11.1260 -8.6724 -8.6724 -8.5115 -8.5115 -8.5036 -8.5036 -2.5193 -2.5193 -1.1607 -1.1607 -1.1453 -1.1453 -0.0205 -0.0205 0.6064 0.6064 0.9161 0.9161 1.2073 1.2073 2.3105 2.3105 2.3225 2.3225 2.3478 2.3478 2.4247 2.4247 2.5458 2.5458 2.5557 2.5557 10.6566 10.6566 10.6908 10.6908 10.8878 10.8878 11.3680 11.3680 k = 0.0532 0.0532-0.0000 ( 8879 PWs) bands (ev): -16.5909 -16.5909 -16.4205 -16.4205 -16.4197 -16.4197 -13.7125 -13.7125 -11.1280 -11.1280 -11.1254 -11.1254 -8.6722 -8.6722 -8.5079 -8.5079 -8.5023 -8.5023 -2.5196 -2.5196 -1.1577 -1.1577 -1.1471 -1.1471 0.0592 0.0592 0.5923 0.5923 0.9083 0.9083 1.1303 1.1303 2.3143 2.3143 2.3228 2.3228 2.3484 2.3484 2.4227 2.4227 2.5467 2.5467 2.5529 2.5529 10.6542 10.6542 10.6736 10.6736 10.8912 10.8912 11.3620 11.3620 k = 0.0426 0.0426-0.0000 ( 8883 PWs) bands (ev): -16.5924 -16.5924 -16.4207 -16.4207 -16.4202 -16.4202 -13.7123 -13.7123 -11.1266 -11.1266 -11.1249 -11.1249 -8.6720 -8.6720 -8.5048 -8.5048 -8.5013 -8.5013 -2.5199 -2.5199 -1.1554 -1.1554 -1.1487 -1.1487 0.1384 0.1384 0.5756 0.5756 0.9022 0.9022 1.0573 1.0573 2.3175 2.3175 2.3229 2.3229 2.3492 2.3492 2.4213 2.4213 2.5475 2.5475 2.5512 2.5512 10.6488 10.6488 10.6592 10.6592 10.8978 10.8978 11.3572 11.3572 k = 0.0319 0.0319-0.0000 ( 8879 PWs) bands (ev): -16.5936 -16.5936 -16.4208 -16.4208 -16.4205 -16.4205 -13.7121 -13.7121 -11.1255 -11.1255 -11.1246 -11.1246 -8.6719 -8.6719 -8.5025 -8.5025 -8.5004 -8.5004 -2.5201 -2.5201 -1.1537 -1.1537 -1.1500 -1.1500 0.2161 0.2161 0.5546 0.5546 0.8977 0.8977 0.9919 0.9919 2.3199 2.3199 2.3229 2.3229 2.3499 2.3499 2.4203 2.4203 2.5482 2.5482 2.5502 2.5502 10.6426 10.6426 10.6476 10.6476 10.9053 10.9053 11.3535 11.3535 k = 0.0213 0.0213-0.0000 ( 8877 PWs) bands (ev): -16.5945 -16.5945 -16.4209 -16.4209 -16.4208 -16.4208 -13.7120 -13.7120 -11.1247 -11.1247 -11.1243 -11.1243 -8.6718 -8.6718 -8.5008 -8.5008 -8.4999 -8.4999 -2.5203 -2.5203 -1.1525 -1.1525 -1.1509 -1.1509 0.2901 0.2901 0.5269 0.5269 0.8946 0.8946 0.9391 0.9391 2.3215 2.3215 2.3229 2.3229 2.3506 2.3506 2.4197 2.4197 2.5488 2.5488 2.5497 2.5497 10.6373 10.6373 10.6393 10.6393 10.9118 10.9118 11.3508 11.3508 k = 0.0106 0.0106-0.0000 ( 8877 PWs) bands (ev): -16.5950 -16.5950 -16.4210 -16.4210 -16.4209 -16.4209 -13.7119 -13.7119 -11.1242 -11.1242 -11.1241 -11.1241 -8.6717 -8.6717 -8.4997 -8.4997 -8.4995 -8.4995 -2.5204 -2.5204 -1.1519 -1.1519 -1.1514 -1.1514 0.3559 0.3559 0.4917 0.4917 0.8928 0.8928 0.9044 0.9044 2.3225 2.3225 2.3229 2.3229 2.3510 2.3510 2.4193 2.4193 2.5492 2.5492 2.5494 2.5494 10.6337 10.6337 10.6342 10.6342 10.9161 10.9161 11.3492 11.3492 k = 0.0000 0.0000 0.0000 ( 8829 PWs) bands (ev): -16.5952 -16.5952 -16.4210 -16.4210 -16.4210 -16.4210 -13.7119 -13.7119 -11.1241 -11.1241 -11.1241 -11.1241 -8.6717 -8.6717 -8.4994 -8.4994 -8.4994 -8.4994 -2.5204 -2.5204 -1.1516 -1.1516 -1.1516 -1.1516 0.3928 0.3928 0.4656 0.4656 0.8923 0.8923 0.8923 0.8923 2.3229 2.3229 2.3229 2.3229 2.3512 2.3512 2.4192 2.4192 2.5493 2.5493 2.5493 2.5493 10.6325 10.6325 10.6325 10.6325 10.9176 10.9176 11.3487 11.3487 k = 0.0000 0.0000 0.0000 ( 8829 PWs) bands (ev): -16.5952 -16.5952 -16.4210 -16.4210 -16.4210 -16.4210 -13.7119 -13.7119 -11.1241 -11.1241 -11.1241 -11.1241 -8.6717 -8.6717 -8.4994 -8.4994 -8.4994 -8.4994 -2.5204 -2.5204 -1.1516 -1.1516 -1.1516 -1.1516 0.3928 0.3928 0.4656 0.4656 0.8923 0.8923 0.8923 0.8923 2.3229 2.3229 2.3229 2.3229 2.3512 2.3512 2.4192 2.4192 2.5493 2.5493 2.5493 2.5493 10.6325 10.6325 10.6325 10.6325 10.9176 10.9176 11.3487 11.3487 k = 0.0088 0.0088 0.0088 ( 8865 PWs) bands (ev): -16.5950 -16.5950 -16.4210 -16.4210 -16.4209 -16.4209 -13.7119 -13.7119 -11.1242 -11.1242 -11.1242 -11.1242 -8.6717 -8.6717 -8.4996 -8.4996 -8.4996 -8.4996 -2.5204 -2.5204 -1.1517 -1.1517 -1.1516 -1.1516 0.3553 0.3553 0.4921 0.4921 0.8931 0.8931 0.9043 0.9043 2.3225 2.3225 2.3229 2.3229 2.3510 2.3510 2.4193 2.4193 2.5493 2.5493 2.5493 2.5493 10.6337 10.6337 10.6342 10.6342 10.9161 10.9161 11.3492 11.3492 k = 0.0175 0.0175 0.0175 ( 8877 PWs) bands (ev): -16.5945 -16.5945 -16.4209 -16.4209 -16.4208 -16.4208 -13.7120 -13.7120 -11.1245 -11.1245 -11.1245 -11.1245 -8.6718 -8.6718 -8.5003 -8.5003 -8.5003 -8.5003 -2.5203 -2.5203 -1.1520 -1.1520 -1.1514 -1.1514 0.2883 0.2883 0.5280 0.5280 0.8957 0.8957 0.9388 0.9388 2.3214 2.3214 2.3230 2.3230 2.3506 2.3506 2.4197 2.4197 2.5492 2.5492 2.5492 2.5492 10.6374 10.6374 10.6395 10.6395 10.9115 10.9115 11.3509 11.3509 k = 0.0263 0.0263 0.0263 ( 8889 PWs) bands (ev): -16.5936 -16.5936 -16.4207 -16.4207 -16.4206 -16.4206 -13.7121 -13.7121 -11.1250 -11.1250 -11.1250 -11.1250 -8.6719 -8.6719 -8.5015 -8.5015 -8.5015 -8.5015 -2.5201 -2.5201 -1.1525 -1.1525 -1.1511 -1.1511 0.2126 0.2126 0.5569 0.5569 0.9001 0.9001 0.9911 0.9911 2.3197 2.3197 2.3230 2.3230 2.3500 2.3500 2.4204 2.4204 2.5491 2.5491 2.5493 2.5493 10.6433 10.6433 10.6483 10.6483 10.9041 10.9041 11.3537 11.3537 k = 0.0351 0.0351 0.0351 ( 8874 PWs) bands (ev): -16.5924 -16.5924 -16.4205 -16.4205 -16.4204 -16.4204 -13.7123 -13.7123 -11.1258 -11.1258 -11.1258 -11.1258 -8.6720 -8.6720 -8.5031 -8.5031 -8.5031 -8.5031 -2.5199 -2.5199 -1.1534 -1.1534 -1.1508 -1.1508 0.1326 0.1326 0.5800 0.5800 0.9062 0.9062 1.0555 1.0555 2.3173 2.3173 2.3228 2.3228 2.3494 2.3494 2.4214 2.4214 2.5489 2.5489 2.5497 2.5497 10.6510 10.6510 10.6604 10.6604 10.8944 10.8944 11.3579 11.3579 k = 0.0439 0.0439 0.0439 ( 8880 PWs) bands (ev): -16.5908 -16.5908 -16.4202 -16.4202 -16.4200 -16.4200 -13.7125 -13.7125 -11.1268 -11.1268 -11.1267 -11.1267 -8.6722 -8.6722 -8.5052 -8.5052 -8.5052 -8.5052 -2.5196 -2.5196 -1.1546 -1.1546 -1.1504 -1.1504 0.0505 0.0505 0.5997 0.5997 0.9140 0.9140 1.1271 1.1271 2.3142 2.3142 2.3221 2.3221 2.3491 2.3491 2.4230 2.4230 2.5487 2.5487 2.5506 2.5506 10.6599 10.6599 10.6759 10.6759 10.8831 10.8831 11.3634 11.3634 k = 0.0526 0.0526 0.0526 ( 8874 PWs) bands (ev): -16.5889 -16.5889 -16.4198 -16.4198 -16.4196 -16.4196 -13.7128 -13.7128 -11.1280 -11.1280 -11.1279 -11.1279 -8.6724 -8.6724 -8.5078 -8.5078 -8.5077 -8.5077 -2.5193 -2.5193 -1.1565 -1.1565 -1.1499 -1.1499 -0.0326 -0.0326 0.6180 0.6180 0.9236 0.9236 1.2023 1.2023 2.3106 2.3106 2.3208 2.3208 2.3493 2.3493 2.4252 2.4252 2.5484 2.5484 2.5527 2.5527 10.6687 10.6687 10.6945 10.6945 10.8713 10.8713 11.3703 11.3703 k = 0.0614 0.0614 0.0614 ( 8871 PWs) bands (ev): -16.5867 -16.5867 -16.4194 -16.4194 -16.4191 -16.4191 -13.7131 -13.7131 -11.1294 -11.1294 -11.1293 -11.1293 -8.6727 -8.6727 -8.5107 -8.5107 -8.5107 -8.5107 -2.5190 -2.5190 -1.1591 -1.1591 -1.1494 -1.1494 -0.1157 -0.1157 0.6362 0.6362 0.9348 0.9348 1.2786 1.2786 2.3065 2.3065 2.3186 2.3186 2.3502 2.3502 2.4282 2.4282 2.5481 2.5481 2.5564 2.5564 10.6758 10.6758 10.7162 10.7162 10.8610 10.8610 11.3788 11.3788 k = 0.0702 0.0702 0.0702 ( 8880 PWs) bands (ev): -16.5841 -16.5841 -16.4190 -16.4190 -16.4185 -16.4185 -13.7135 -13.7135 -11.1310 -11.1310 -11.1309 -11.1309 -8.6730 -8.6730 -8.5141 -8.5141 -8.5141 -8.5141 -2.5187 -2.5187 -1.1628 -1.1628 -1.1490 -1.1490 -0.1980 -0.1980 0.6550 0.6550 0.9478 0.9478 1.3539 1.3539 2.3020 2.3020 2.3156 2.3156 2.3519 2.3519 2.4321 2.4321 2.5478 2.5478 2.5627 2.5627 10.6784 10.6784 10.7408 10.7408 10.8545 10.8545 11.3888 11.3888 k = 0.0789 0.0789 0.0789 ( 8880 PWs) bands (ev): -16.5812 -16.5812 -16.4185 -16.4185 -16.4179 -16.4179 -13.7139 -13.7139 -11.1328 -11.1328 -11.1326 -11.1326 -8.6734 -8.6734 -8.5179 -8.5179 -8.5179 -8.5179 -2.5185 -2.5185 -1.1679 -1.1679 -1.1485 -1.1485 -0.2791 -0.2791 0.6749 0.6749 0.9625 0.9625 1.4265 1.4265 2.2971 2.2971 2.3119 2.3119 2.3544 2.3544 2.4366 2.4366 2.5474 2.5474 2.5726 2.5726 10.6740 10.6740 10.7679 10.7679 10.8547 10.8547 11.4003 11.4003 k = 0.0877 0.0877 0.0877 ( 8862 PWs) bands (ev): -16.5780 -16.5780 -16.4179 -16.4179 -16.4172 -16.4172 -13.7143 -13.7143 -11.1347 -11.1347 -11.1346 -11.1346 -8.6737 -8.6737 -8.5221 -8.5221 -8.5221 -8.5221 -2.5184 -2.5184 -1.1747 -1.1747 -1.1482 -1.1482 -0.3581 -0.3581 0.6962 0.6962 0.9788 0.9788 1.4949 1.4949 2.2919 2.2919 2.3075 2.3075 2.3576 2.3576 2.4416 2.4416 2.5471 2.5471 2.5877 2.5877 10.6612 10.6612 10.7974 10.7974 10.8625 10.8625 11.4134 11.4134 k = 0.0965 0.0965 0.0965 ( 8856 PWs) bands (ev): -16.5746 -16.5746 -16.4172 -16.4172 -16.4164 -16.4164 -13.7148 -13.7148 -11.1369 -11.1369 -11.1368 -11.1368 -8.6741 -8.6741 -8.5267 -8.5267 -8.5267 -8.5267 -2.5183 -2.5183 -1.1839 -1.1839 -1.1480 -1.1480 -0.4346 -0.4346 0.7190 0.7190 0.9968 0.9968 1.5576 1.5576 2.2865 2.2865 2.3027 2.3027 2.3614 2.3614 2.4466 2.4466 2.5466 2.5466 2.6096 2.6096 10.6408 10.6408 10.8288 10.8288 10.8769 10.8769 11.4280 11.4280 k = 0.1053 0.1053 0.1053 ( 8850 PWs) bands (ev): -16.5708 -16.5708 -16.4165 -16.4165 -16.4155 -16.4155 -13.7153 -13.7153 -11.1393 -11.1393 -11.1391 -11.1391 -8.6746 -8.6746 -8.5316 -8.5316 -8.5316 -8.5316 -2.5184 -2.5184 -1.1960 -1.1960 -1.1480 -1.1480 -0.5078 -0.5078 0.7434 0.7434 1.0164 1.0164 1.6137 1.6137 2.2810 2.2810 2.2975 2.2975 2.3656 2.3656 2.4512 2.4512 2.5462 2.5462 2.6398 2.6398 10.6142 10.6142 10.8618 10.8618 10.8959 10.8959 11.4444 11.4444 k = 0.1140 0.1140 0.1140 ( 8856 PWs) bands (ev): -16.5668 -16.5668 -16.4158 -16.4158 -16.4146 -16.4146 -13.7157 -13.7157 -11.1418 -11.1418 -11.1416 -11.1416 -8.6751 -8.6751 -8.5369 -8.5369 -8.5369 -8.5369 -2.5187 -2.5187 -1.2118 -1.2118 -1.1482 -1.1482 -0.5770 -0.5770 0.7695 0.7695 1.0376 1.0376 1.6623 1.6623 2.2756 2.2756 2.2922 2.2922 2.3704 2.3704 2.4551 2.4551 2.5458 2.5458 2.6794 2.6794 10.5828 10.5828 10.8958 10.8958 10.9176 10.9176 11.4627 11.4627 k = 0.1228 0.1228 0.1228 ( 8850 PWs) bands (ev): -16.5625 -16.5625 -16.4150 -16.4150 -16.4136 -16.4136 -13.7162 -13.7162 -11.1445 -11.1445 -11.1443 -11.1443 -8.6756 -8.6756 -8.5425 -8.5425 -8.5424 -8.5424 -2.5191 -2.5191 -1.2321 -1.2321 -1.1487 -1.1487 -0.6411 -0.6411 0.7972 0.7972 1.0604 1.0604 1.7031 1.7031 2.2702 2.2702 2.2867 2.2867 2.3755 2.3755 2.4583 2.4583 2.5454 2.5454 2.7287 2.7287 10.5476 10.5476 10.9302 10.9302 10.9402 10.9402 11.4833 11.4833 k = 0.1316 0.1316 0.1316 ( 8838 PWs) bands (ev): -16.5579 -16.5579 -16.4142 -16.4142 -16.4126 -16.4126 -13.7167 -13.7167 -11.1474 -11.1474 -11.1471 -11.1471 -8.6761 -8.6761 -8.5483 -8.5483 -8.5483 -8.5483 -2.5198 -2.5198 -1.2578 -1.2578 -1.1494 -1.1494 -0.6995 -0.6995 0.8267 0.8267 1.0847 1.0847 1.7364 1.7364 2.2650 2.2650 2.2811 2.2811 2.3811 2.3811 2.4608 2.4608 2.5449 2.5449 2.7876 2.7876 10.5089 10.5089 10.9624 10.9624 10.9642 10.9642 11.5066 11.5066 k = 0.1404 0.1404 0.1404 ( 8844 PWs) bands (ev): -16.5532 -16.5532 -16.4133 -16.4133 -16.4115 -16.4115 -13.7172 -13.7172 -11.1504 -11.1504 -11.1501 -11.1501 -8.6766 -8.6766 -8.5545 -8.5545 -8.5545 -8.5545 -2.5208 -2.5208 -1.2896 -1.2896 -1.1505 -1.1505 -0.7515 -0.7515 0.8578 0.8578 1.1106 1.1106 1.7628 1.7628 2.2600 2.2600 2.2757 2.2757 2.3869 2.3869 2.4628 2.4628 2.5445 2.5445 2.8553 2.8553 10.4670 10.4670 10.9833 10.9833 10.9967 10.9967 11.5332 11.5332 k = 0.1491 0.1491 0.1491 ( 8856 PWs) bands (ev): -16.5482 -16.5482 -16.4123 -16.4123 -16.4104 -16.4104 -13.7176 -13.7176 -11.1535 -11.1535 -11.1533 -11.1533 -8.6772 -8.6772 -8.5609 -8.5609 -8.5609 -8.5609 -2.5220 -2.5220 -1.3277 -1.3277 -1.1520 -1.1520 -0.7966 -0.7966 0.8906 0.8906 1.1380 1.1380 1.7834 1.7834 2.2554 2.2554 2.2703 2.2703 2.3931 2.3931 2.4645 2.4645 2.5441 2.5441 2.9309 2.9309 10.4219 10.4219 11.0018 11.0018 11.0265 11.0265 11.5636 11.5636 k = 0.1579 0.1579 0.1579 ( 8853 PWs) bands (ev): -16.5430 -16.5430 -16.4113 -16.4113 -16.4092 -16.4092 -13.7180 -13.7180 -11.1568 -11.1568 -11.1566 -11.1566 -8.6778 -8.6778 -8.5676 -8.5676 -8.5675 -8.5675 -2.5235 -2.5235 -1.3720 -1.3720 -1.1539 -1.1539 -0.8353 -0.8353 0.9251 0.9251 1.1667 1.1667 1.7992 1.7992 2.2513 2.2513 2.2652 2.2652 2.3996 2.3996 2.4660 2.4660 2.5438 2.5438 3.0131 3.0131 10.3737 10.3737 11.0173 11.0173 11.0520 11.0520 11.5982 11.5982 k = 0.1667 0.1667 0.1667 ( 8868 PWs) bands (ev): -16.5376 -16.5376 -16.4103 -16.4103 -16.4079 -16.4079 -13.7184 -13.7184 -11.1602 -11.1602 -11.1600 -11.1600 -8.6784 -8.6784 -8.5745 -8.5745 -8.5743 -8.5743 -2.5254 -2.5254 -1.4219 -1.4219 -1.1562 -1.1562 -0.8680 -0.8680 0.9611 0.9611 1.1969 1.1969 1.8113 1.8113 2.2476 2.2476 2.2603 2.2603 2.4064 2.4064 2.4674 2.4674 2.5435 2.5435 3.1009 3.1009 10.3222 10.3222 11.0295 11.0295 11.0713 11.0713 11.6373 11.6373 k = 0.1754 0.1754 0.1754 ( 8862 PWs) bands (ev): -16.5321 -16.5321 -16.4093 -16.4093 -16.4067 -16.4067 -13.7188 -13.7188 -11.1638 -11.1638 -11.1635 -11.1635 -8.6791 -8.6791 -8.5815 -8.5815 -8.5814 -8.5814 -2.5276 -2.5276 -1.4763 -1.4763 -1.1590 -1.1590 -0.8958 -0.8958 0.9986 0.9986 1.2285 1.2285 1.8209 1.8209 2.2445 2.2445 2.2557 2.2557 2.4134 2.4134 2.4688 2.4688 2.5432 2.5432 3.1934 3.1934 10.2675 10.2675 11.0382 11.0382 11.0825 11.0825 11.6810 11.6810 k = 0.1842 0.1842 0.1842 ( 8862 PWs) bands (ev): -16.5264 -16.5264 -16.4082 -16.4082 -16.4053 -16.4053 -13.7191 -13.7191 -11.1674 -11.1674 -11.1672 -11.1672 -8.6797 -8.6797 -8.5887 -8.5887 -8.5885 -8.5885 -2.5302 -2.5302 -1.5341 -1.5341 -1.1624 -1.1624 -0.9197 -0.9197 1.0376 1.0376 1.2613 1.2613 1.8287 1.8287 2.2420 2.2420 2.2515 2.2515 2.4206 2.4206 2.4702 2.4702 2.5430 2.5430 3.2895 3.2895 10.2095 10.2095 11.0434 11.0434 11.0838 11.0838 11.7292 11.7292 k = 0.1930 0.1930 0.1930 ( 8862 PWs) bands (ev): -16.5206 -16.5206 -16.4071 -16.4071 -16.4040 -16.4040 -13.7194 -13.7194 -11.1711 -11.1711 -11.1709 -11.1709 -8.6804 -8.6804 -8.5961 -8.5961 -8.5958 -8.5958 -2.5332 -2.5332 -1.5945 -1.5945 -1.1662 -1.1662 -0.9408 -0.9408 1.0780 1.0780 1.2953 1.2953 1.8356 1.8356 2.2402 2.2402 2.2478 2.2478 2.4281 2.4281 2.4717 2.4717 2.5429 2.5429 3.3886 3.3886 10.1482 10.1482 11.0452 11.0452 11.0738 11.0738 11.7816 11.7816 k = 0.2018 0.2018 0.2018 ( 8874 PWs) bands (ev): -16.5147 -16.5147 -16.4059 -16.4059 -16.4026 -16.4026 -13.7196 -13.7196 -11.1750 -11.1750 -11.1748 -11.1748 -8.6811 -8.6811 -8.6035 -8.6035 -8.6032 -8.6032 -2.5365 -2.5365 -1.6565 -1.6565 -1.1705 -1.1705 -0.9598 -0.9598 1.1197 1.1197 1.3306 1.3306 1.8421 1.8421 2.2391 2.2391 2.2444 2.2444 2.4356 2.4356 2.4733 2.4733 2.5428 2.5428 3.4900 3.4900 10.0837 10.0837 11.0436 11.0436 11.0518 11.0518 11.8379 11.8379 k = 0.2105 0.2105 0.2105 ( 8886 PWs) bands (ev): -16.5087 -16.5087 -16.4048 -16.4048 -16.4012 -16.4012 -13.7198 -13.7198 -11.1789 -11.1789 -11.1787 -11.1787 -8.6818 -8.6818 -8.6110 -8.6110 -8.6107 -8.6107 -2.5403 -2.5403 -1.7194 -1.7194 -1.1753 -1.1753 -0.9775 -0.9775 1.1627 1.1627 1.3669 1.3669 1.8487 1.8487 2.2387 2.2387 2.2416 2.2416 2.4433 2.4433 2.4752 2.4752 2.5429 2.5429 3.5933 3.5933 10.0161 10.0161 11.0184 11.0184 11.0387 11.0387 11.8976 11.8976 k = 0.2193 0.2193 0.2193 ( 8880 PWs) bands (ev): -16.5027 -16.5027 -16.4036 -16.4036 -16.3997 -16.3997 -13.7199 -13.7199 -11.1828 -11.1828 -11.1827 -11.1827 -8.6825 -8.6825 -8.6186 -8.6186 -8.6183 -8.6183 -2.5444 -2.5444 -1.7825 -1.7825 -1.1807 -1.1807 -0.9943 -0.9943 1.2069 1.2069 1.4042 1.4042 1.8558 1.8558 2.2391 2.2391 2.2393 2.2393 2.4510 2.4510 2.4773 2.4773 2.5430 2.5430 3.6979 3.6979 9.9455 9.9455 10.9746 10.9746 11.0301 11.0301 11.9604 11.9604 k = 0.2281 0.2281 0.2281 ( 8880 PWs) bands (ev): -16.4966 -16.4966 -16.4024 -16.4024 -16.3983 -16.3983 -13.7199 -13.7199 -11.1868 -11.1868 -11.1867 -11.1867 -8.6833 -8.6833 -8.6262 -8.6262 -8.6258 -8.6258 -2.5489 -2.5489 -1.8455 -1.8455 -1.1866 -1.1866 -1.0107 -1.0107 1.2522 1.2522 1.4425 1.4425 1.8637 1.8637 2.2374 2.2374 2.2401 2.2401 2.4586 2.4586 2.4797 2.4797 2.5433 2.5433 3.8036 3.8036 9.8722 9.8722 10.9220 10.9220 11.0176 11.0176 12.0260 12.0260 k = 0.2368 0.2368 0.2368 ( 8862 PWs) bands (ev): -16.4904 -16.4904 -16.4011 -16.4011 -16.3968 -16.3968 -13.7199 -13.7199 -11.1909 -11.1909 -11.1908 -11.1908 -8.6840 -8.6840 -8.6339 -8.6339 -8.6334 -8.6334 -2.5538 -2.5538 -1.9080 -1.9080 -1.1930 -1.1930 -1.0269 -1.0269 1.2984 1.2984 1.4817 1.4817 1.8726 1.8726 2.2361 2.2361 2.2419 2.2419 2.4660 2.4660 2.4826 2.4826 2.5437 2.5437 3.9100 3.9100 9.7963 9.7963 10.8621 10.8621 11.0006 11.0006 12.0938 12.0938 k = 0.2456 0.2456 0.2456 ( 8862 PWs) bands (ev): -16.4843 -16.4843 -16.3999 -16.3999 -16.3953 -16.3953 -13.7197 -13.7197 -11.1950 -11.1950 -11.1949 -11.1949 -8.6848 -8.6848 -8.6415 -8.6415 -8.6410 -8.6410 -2.5591 -2.5591 -1.9698 -1.9698 -1.1998 -1.1998 -1.0430 -1.0430 1.3456 1.3456 1.5216 1.5216 1.8826 1.8826 2.2353 2.2353 2.2444 2.2444 2.4729 2.4729 2.4863 2.4863 2.5443 2.5443 4.0167 4.0167 9.7181 9.7181 10.7963 10.7963 10.9785 10.9785 12.1636 12.1636 k = 0.2544 0.2544 0.2544 ( 8862 PWs) bands (ev): -16.4781 -16.4781 -16.3987 -16.3987 -16.3938 -16.3938 -13.7196 -13.7196 -11.1991 -11.1991 -11.1990 -11.1990 -8.6855 -8.6855 -8.6491 -8.6491 -8.6486 -8.6486 -2.5647 -2.5647 -2.0304 -2.0304 -1.2071 -1.2071 -1.0593 -1.0593 1.3935 1.3935 1.5622 1.5622 1.8938 1.8938 2.2350 2.2350 2.2476 2.2476 2.4789 2.4789 2.4912 2.4912 2.5451 2.5451 4.1236 4.1236 9.6379 9.6379 10.7260 10.7260 10.9506 10.9506 12.2350 12.2350 k = 0.2632 0.2632 0.2632 ( 8856 PWs) bands (ev): -16.4720 -16.4720 -16.3974 -16.3974 -16.3923 -16.3923 -13.7193 -13.7193 -11.2032 -11.2032 -11.2032 -11.2032 -8.6863 -8.6863 -8.6566 -8.6566 -8.6561 -8.6561 -2.5707 -2.5707 -2.0899 -2.0899 -1.2147 -1.2147 -1.0757 -1.0757 1.4421 1.4421 1.6034 1.6034 1.9063 1.9063 2.2353 2.2353 2.2514 2.2514 2.4838 2.4838 2.4975 2.4975 2.5460 2.5460 4.2304 4.2304 9.5560 9.5560 10.6523 10.6523 10.9161 10.9161 12.3076 12.3076 k = 0.2719 0.2719 0.2719 ( 8841 PWs) bands (ev): -16.4659 -16.4659 -16.3961 -16.3961 -16.3908 -16.3908 -13.7190 -13.7190 -11.2073 -11.2073 -11.2073 -11.2073 -8.6871 -8.6871 -8.6641 -8.6641 -8.6635 -8.6635 -2.5771 -2.5771 -2.1479 -2.1479 -1.2228 -1.2228 -1.0923 -1.0923 1.4913 1.4913 1.6450 1.6450 1.9200 1.9200 2.2360 2.2360 2.2557 2.2557 2.4880 2.4880 2.5046 2.5046 2.5472 2.5472 4.3369 4.3369 9.4727 9.4727 10.5761 10.5761 10.8744 10.8744 12.3808 12.3808 k = 0.2807 0.2807 0.2807 ( 8853 PWs) bands (ev): -16.4599 -16.4599 -16.3949 -16.3949 -16.3893 -16.3893 -13.7186 -13.7186 -11.2114 -11.2114 -11.2114 -11.2114 -8.6879 -8.6879 -8.6714 -8.6714 -8.6708 -8.6708 -2.5837 -2.5837 -2.2044 -2.2044 -1.2311 -1.2311 -1.1090 -1.1090 1.5409 1.5409 1.6869 1.6869 1.9350 1.9350 2.2372 2.2372 2.2606 2.2606 2.4920 2.4920 2.5122 2.5122 2.5486 2.5486 4.4428 4.4428 9.3881 9.3881 10.4981 10.4981 10.8251 10.8251 12.4540 12.4540 k = 0.2895 0.2895 0.2895 ( 8865 PWs) bands (ev): -16.4540 -16.4540 -16.3936 -16.3936 -16.3878 -16.3878 -13.7181 -13.7181 -11.2155 -11.2155 -11.2154 -11.2154 -8.6887 -8.6887 -8.6787 -8.6787 -8.6780 -8.6780 -2.5908 -2.5908 -2.2591 -2.2591 -1.2398 -1.2398 -1.1259 -1.1259 1.5907 1.5907 1.7290 1.7290 1.9510 1.9510 2.2388 2.2388 2.2659 2.2659 2.4961 2.4961 2.5200 2.5200 2.5503 2.5503 4.5481 4.5481 9.3027 9.3027 10.4189 10.4189 10.7681 10.7681 12.5259 12.5259 k = 0.2982 0.2982 0.2982 ( 8865 PWs) bands (ev): -16.4482 -16.4482 -16.3924 -16.3924 -16.3864 -16.3864 -13.7176 -13.7176 -11.2195 -11.2195 -11.2194 -11.2194 -8.6895 -8.6895 -8.6857 -8.6857 -8.6850 -8.6850 -2.5981 -2.5981 -2.3120 -2.3120 -1.2486 -1.2486 -1.1429 -1.1429 1.6406 1.6406 1.7712 1.7712 1.9680 1.9680 2.2408 2.2408 2.2716 2.2716 2.5002 2.5002 2.5278 2.5278 2.5522 2.5522 4.6525 4.6525 9.2168 9.2168 10.3393 10.3393 10.7036 10.7036 12.5944 12.5944 k = 0.3070 0.3070 0.3070 ( 8868 PWs) bands (ev): -16.4425 -16.4425 -16.3911 -16.3911 -16.3849 -16.3849 -13.7170 -13.7170 -11.2235 -11.2235 -11.2234 -11.2234 -8.6927 -8.6927 -8.6921 -8.6921 -8.6901 -8.6901 -2.6059 -2.6059 -2.3628 -2.3628 -1.2576 -1.2576 -1.1599 -1.1599 1.6906 1.6906 1.8133 1.8133 1.9858 1.9858 2.2433 2.2433 2.2777 2.2777 2.5046 2.5046 2.5356 2.5356 2.5544 2.5544 4.7558 4.7558 9.1305 9.1305 10.2595 10.2595 10.6321 10.6321 12.6561 12.6561 k = 0.3158 0.3158 0.3158 ( 8868 PWs) bands (ev): -16.4369 -16.4369 -16.3899 -16.3899 -16.3835 -16.3835 -13.7164 -13.7164 -11.2274 -11.2274 -11.2273 -11.2273 -8.6994 -8.6994 -8.6988 -8.6988 -8.6909 -8.6909 -2.6142 -2.6142 -2.4113 -2.4113 -1.2668 -1.2668 -1.1769 -1.1769 1.7402 1.7402 1.8551 1.8551 2.0044 2.0044 2.2461 2.2461 2.2839 2.2839 2.5091 2.5091 2.5433 2.5433 2.5569 2.5569 4.8579 4.8579 9.0443 9.0443 10.1802 10.1802 10.5543 10.5543 12.7093 12.7093 k = 0.3246 0.3246 0.3246 ( 8868 PWs) bands (ev): -16.4316 -16.4316 -16.3887 -16.3887 -16.3822 -16.3822 -13.7157 -13.7157 -11.2313 -11.2313 -11.2311 -11.2311 -8.7059 -8.7059 -8.7053 -8.7053 -8.6917 -8.6917 -2.6233 -2.6233 -2.4573 -2.4573 -1.2760 -1.2760 -1.1937 -1.1937 1.7895 1.7895 1.8966 1.8966 2.0234 2.0234 2.2493 2.2493 2.2902 2.2902 2.5139 2.5139 2.5509 2.5509 2.5598 2.5598 4.9586 4.9586 8.9583 8.9583 10.1017 10.1017 10.4713 10.4713 12.7569 12.7569 k = 0.3333 0.3333 0.3333 ( 8862 PWs) bands (ev): -16.4264 -16.4264 -16.3875 -16.3875 -16.3808 -16.3808 -13.7150 -13.7150 -11.2350 -11.2350 -11.2348 -11.2348 -8.7123 -8.7123 -8.7116 -8.7116 -8.6925 -8.6925 -2.6334 -2.6334 -2.5001 -2.5001 -1.2852 -1.2852 -1.2104 -1.2104 1.8383 1.8383 1.9374 1.9374 2.0428 2.0428 2.2530 2.2530 2.2966 2.2966 2.5190 2.5190 2.5583 2.5583 2.5630 2.5630 5.0578 5.0578 8.8729 8.8729 10.0244 10.0244 10.3842 10.3842 12.8036 12.8036 k = 0.3421 0.3421 0.3421 ( 8880 PWs) bands (ev): -16.4214 -16.4214 -16.3863 -16.3863 -16.3795 -16.3795 -13.7142 -13.7142 -11.2386 -11.2386 -11.2384 -11.2384 -8.7184 -8.7184 -8.7178 -8.7178 -8.6932 -8.6932 -2.6456 -2.6456 -2.5388 -2.5388 -1.2943 -1.2943 -1.2267 -1.2267 1.8862 1.8862 1.9776 1.9776 2.0623 2.0623 2.2570 2.2570 2.3030 2.3030 2.5243 2.5243 2.5656 2.5656 2.5665 2.5665 5.1552 5.1552 8.7884 8.7884 9.9486 9.9486 10.2940 10.2940 12.8524 12.8524 k = 0.3509 0.3509 0.3509 ( 8898 PWs) bands (ev): -16.4166 -16.4166 -16.3851 -16.3851 -16.3782 -16.3782 -13.7134 -13.7134 -11.2421 -11.2421 -11.2419 -11.2419 -8.7242 -8.7242 -8.7236 -8.7236 -8.6940 -8.6940 -2.6611 -2.6611 -2.5720 -2.5720 -1.3034 -1.3034 -1.2426 -1.2426 1.9331 1.9331 2.0168 2.0168 2.0816 2.0816 2.2614 2.2614 2.3093 2.3093 2.5298 2.5298 2.5704 2.5704 2.5726 2.5726 5.2508 5.2508 8.7049 8.7049 9.8748 9.8748 10.2020 10.2020 12.9044 12.9044 k = 0.3596 0.3596 0.3596 ( 8898 PWs) bands (ev): -16.4120 -16.4120 -16.3839 -16.3839 -16.3770 -16.3770 -13.7126 -13.7126 -11.2455 -11.2455 -11.2453 -11.2453 -8.7298 -8.7298 -8.7293 -8.7293 -8.6947 -8.6947 -2.6816 -2.6816 -2.5980 -2.5980 -1.3122 -1.3122 -1.2581 -1.2581 1.9788 1.9788 2.0549 2.0549 2.1005 2.1005 2.2664 2.2664 2.3155 2.3155 2.5355 2.5355 2.5746 2.5746 2.5794 2.5794 5.3443 5.3443 8.6228 8.6228 9.8031 9.8031 10.1092 10.1092 12.9594 12.9594 k = 0.3684 0.3684 0.3684 ( 8892 PWs) bands (ev): -16.4078 -16.4078 -16.3827 -16.3827 -16.3758 -16.3758 -13.7118 -13.7118 -11.2487 -11.2487 -11.2485 -11.2485 -8.7351 -8.7351 -8.7346 -8.7346 -8.6953 -8.6953 -2.7069 -2.7069 -2.6168 -2.6168 -1.3208 -1.3208 -1.2730 -1.2730 2.0230 2.0230 2.0917 2.0917 2.1186 2.1186 2.2719 2.2719 2.3214 2.3214 2.5414 2.5414 2.5792 2.5792 2.5860 2.5860 5.4355 5.4355 8.5424 8.5424 9.7340 9.7340 10.0166 10.0166 13.0166 13.0166 k = 0.3772 0.3772 0.3772 ( 8880 PWs) bands (ev): -16.4038 -16.4038 -16.3815 -16.3815 -16.3747 -16.3747 -13.7109 -13.7109 -11.2518 -11.2518 -11.2516 -11.2516 -8.7402 -8.7402 -8.7397 -8.7397 -8.6960 -8.6960 -2.7350 -2.7350 -2.6303 -2.6303 -1.3292 -1.3292 -1.2873 -1.2873 2.0655 2.0655 2.1270 2.1270 2.1358 2.1358 2.2780 2.2780 2.3270 2.3270 2.5475 2.5475 2.5840 2.5840 2.5922 2.5922 5.5243 5.5243 8.4638 8.4638 9.6677 9.6677 9.9253 9.9253 13.0749 13.0749 k = 0.3860 0.3860 0.3860 ( 8874 PWs) bands (ev): -16.4001 -16.4001 -16.3802 -16.3802 -16.3737 -16.3737 -13.7101 -13.7101 -11.2547 -11.2547 -11.2545 -11.2545 -8.7449 -8.7449 -8.7445 -8.7445 -8.6966 -8.6966 -2.7637 -2.7637 -2.6407 -2.6407 -1.3372 -1.3372 -1.3010 -1.3010 2.1061 2.1061 2.1518 2.1518 2.1606 2.1606 2.2849 2.2849 2.3323 2.3323 2.5537 2.5537 2.5892 2.5892 2.5982 2.5982 5.6104 5.6104 8.3875 8.3875 9.6046 9.6046 9.8360 9.8360 13.1326 13.1326 k = 0.3947 0.3947 0.3947 ( 8871 PWs) bands (ev): -16.3968 -16.3968 -16.3790 -16.3790 -16.3727 -16.3727 -13.7093 -13.7093 -11.2574 -11.2574 -11.2573 -11.2573 -8.7494 -8.7494 -8.7489 -8.7489 -8.6973 -8.6973 -2.7918 -2.7918 -2.6491 -2.6491 -1.3448 -1.3448 -1.3139 -1.3139 2.1443 2.1443 2.1664 2.1664 2.1924 2.1924 2.2926 2.2926 2.3373 2.3373 2.5600 2.5600 2.5946 2.5946 2.6040 2.6040 5.6936 5.6936 8.3137 8.3137 9.5448 9.5448 9.7495 9.7495 13.1882 13.1882 k = 0.4035 0.4035 0.4035 ( 8877 PWs) bands (ev): -16.3938 -16.3938 -16.3777 -16.3777 -16.3718 -16.3718 -13.7085 -13.7085 -11.2600 -11.2600 -11.2599 -11.2599 -8.7535 -8.7535 -8.7531 -8.7531 -8.6978 -8.6978 -2.8184 -2.8184 -2.6563 -2.6563 -1.3520 -1.3520 -1.3259 -1.3259 2.1768 2.1768 2.1824 2.1824 2.2221 2.2221 2.3010 2.3010 2.3420 2.3420 2.5664 2.5664 2.6002 2.6002 2.6094 2.6094 5.7735 5.7735 8.2427 8.2427 9.4887 9.4887 9.6668 9.6668 13.2399 13.2399 k = 0.4123 0.4123 0.4123 ( 8871 PWs) bands (ev): -16.3912 -16.3912 -16.3763 -16.3763 -16.3709 -16.3709 -13.7078 -13.7078 -11.2624 -11.2624 -11.2622 -11.2622 -8.7572 -8.7572 -8.7569 -8.7569 -8.6984 -8.6984 -2.8432 -2.8432 -2.6627 -2.6627 -1.3588 -1.3588 -1.3371 -1.3371 2.1894 2.1894 2.2140 2.2140 2.2495 2.2495 2.3102 2.3102 2.3463 2.3463 2.5727 2.5727 2.6059 2.6059 2.6145 2.6145 5.8499 5.8499 8.1749 8.1749 9.4365 9.4365 9.5884 9.5884 13.2865 13.2865 k = 0.4211 0.4211 0.4211 ( 8870 PWs) bands (ev): -16.3890 -16.3890 -16.3749 -16.3749 -16.3701 -16.3701 -13.7071 -13.7071 -11.2645 -11.2645 -11.2644 -11.2644 -8.7607 -8.7607 -8.7604 -8.7604 -8.6988 -8.6988 -2.8660 -2.8660 -2.6682 -2.6682 -1.3650 -1.3650 -1.3474 -1.3474 2.1987 2.1987 2.2441 2.2441 2.2745 2.2745 2.3199 2.3199 2.3502 2.3502 2.5790 2.5790 2.6116 2.6116 2.6193 2.6193 5.9222 5.9222 8.1106 8.1106 9.3885 9.3885 9.5151 9.5151 13.3271 13.3271 k = 0.4298 0.4298 0.4298 ( 8876 PWs) bands (ev): -16.3872 -16.3872 -16.3735 -16.3735 -16.3694 -16.3694 -13.7064 -13.7064 -11.2665 -11.2665 -11.2664 -11.2664 -8.7638 -8.7638 -8.7636 -8.7636 -8.6993 -8.6993 -2.8866 -2.8866 -2.6732 -2.6732 -1.3706 -1.3706 -1.3567 -1.3567 2.2064 2.2064 2.2710 2.2710 2.2969 2.2969 2.3299 2.3299 2.3539 2.3539 2.5851 2.5851 2.6173 2.6173 2.6238 2.6238 5.9900 5.9900 8.0504 8.0504 9.3449 9.3449 9.4475 9.4475 13.3616 13.3616 k = 0.4386 0.4386 0.4386 ( 8894 PWs) bands (ev): -16.3856 -16.3856 -16.3722 -16.3722 -16.3688 -16.3688 -13.7058 -13.7058 -11.2682 -11.2682 -11.2682 -11.2682 -8.7666 -8.7666 -8.7664 -8.7664 -8.6997 -8.6997 -2.9049 -2.9049 -2.6775 -2.6775 -1.3757 -1.3757 -1.3650 -1.3650 2.2126 2.2126 2.2944 2.2944 2.3164 2.3164 2.3401 2.3401 2.3575 2.3575 2.5909 2.5909 2.6228 2.6228 2.6280 2.6280 6.0528 6.0528 7.9947 7.9947 9.3058 9.3058 9.3863 9.3863 13.3901 13.3901 k = 0.4474 0.4474 0.4474 ( 8900 PWs) bands (ev): -16.3844 -16.3844 -16.3708 -16.3708 -16.3682 -16.3682 -13.7053 -13.7053 -11.2697 -11.2697 -11.2697 -11.2697 -8.7690 -8.7690 -8.7688 -8.7688 -8.7001 -8.7001 -2.9208 -2.9208 -2.6812 -2.6812 -1.3802 -1.3802 -1.3723 -1.3723 2.2176 2.2176 2.3140 2.3140 2.3327 2.3327 2.3502 2.3502 2.3612 2.3612 2.5962 2.5962 2.6279 2.6279 2.6318 2.6318 6.1097 6.1097 7.9441 7.9441 9.2716 9.2716 9.3319 9.3319 13.4133 13.4133 k = 0.4561 0.4561 0.4561 ( 8900 PWs) bands (ev): -16.3835 -16.3835 -16.3697 -16.3697 -16.3678 -16.3678 -13.7049 -13.7049 -11.2710 -11.2710 -11.2710 -11.2710 -8.7710 -8.7710 -8.7709 -8.7709 -8.7004 -8.7004 -2.9344 -2.9344 -2.6844 -2.6844 -1.3840 -1.3840 -1.3785 -1.3785 2.2216 2.2216 2.3298 2.3298 2.3451 2.3451 2.3601 2.3601 2.3658 2.3658 2.6010 2.6010 2.6326 2.6326 2.6353 2.6353 6.1601 6.1601 7.8993 7.8993 9.2423 9.2423 9.2849 9.2849 13.4316 13.4316 k = 0.4649 0.4649 0.4649 ( 8894 PWs) bands (ev): -16.3827 -16.3827 -16.3686 -16.3686 -16.3674 -16.3674 -13.7045 -13.7045 -11.2721 -11.2721 -11.2721 -11.2721 -8.7727 -8.7727 -8.7726 -8.7726 -8.7006 -8.7006 -2.9455 -2.9455 -2.6870 -2.6870 -1.3871 -1.3871 -1.3836 -1.3836 2.2247 2.2247 2.3418 2.3418 2.3529 2.3529 2.3694 2.3694 2.3719 2.3719 2.6051 2.6051 2.6367 2.6367 2.6384 2.6384 6.2031 6.2031 7.8611 7.8611 9.2181 9.2181 9.2458 9.2458 13.4458 13.4458 k = 0.4737 0.4737 0.4737 ( 8900 PWs) bands (ev): -16.3822 -16.3822 -16.3678 -16.3678 -16.3671 -16.3671 -13.7042 -13.7042 -11.2729 -11.2729 -11.2729 -11.2729 -8.7740 -8.7740 -8.7740 -8.7740 -8.7008 -8.7008 -2.9542 -2.9542 -2.6890 -2.6890 -1.3896 -1.3896 -1.3876 -1.3876 2.2269 2.2269 2.3504 2.3504 2.3570 2.3570 2.3774 2.3774 2.3785 2.3785 2.6083 2.6083 2.6400 2.6400 2.6409 2.6409 6.2377 6.2377 7.8303 7.8303 9.1992 9.1992 9.2149 9.2149 13.4563 13.4563 k = 0.4825 0.4825 0.4825 ( 8912 PWs) bands (ev): -16.3818 -16.3818 -16.3672 -16.3672 -16.3669 -16.3669 -13.7039 -13.7039 -11.2735 -11.2735 -11.2735 -11.2735 -8.7749 -8.7749 -8.7749 -8.7749 -8.7010 -8.7010 -2.9604 -2.9604 -2.6904 -2.6904 -1.3914 -1.3914 -1.3905 -1.3905 2.2285 2.2285 2.3562 2.3562 2.3592 2.3592 2.3835 2.3835 2.3840 2.3840 2.6107 2.6107 2.6425 2.6425 2.6429 2.6429 6.2632 6.2632 7.8076 7.8076 9.1856 9.1856 9.1927 9.1927 13.4635 13.4635 k = 0.4912 0.4912 0.4912 ( 8951 PWs) bands (ev): -16.3816 -16.3816 -16.3668 -16.3668 -16.3667 -16.3667 -13.7038 -13.7038 -11.2739 -11.2739 -11.2739 -11.2739 -8.7755 -8.7755 -8.7755 -8.7755 -8.7010 -8.7010 -2.9642 -2.9642 -2.6913 -2.6913 -1.3924 -1.3924 -1.3922 -1.3922 2.2294 2.2294 2.3596 2.3596 2.3603 2.3603 2.3874 2.3874 2.3875 2.3875 2.6121 2.6121 2.6440 2.6440 2.6441 2.6441 6.2789 6.2789 7.7937 7.7937 9.1774 9.1774 9.1792 9.1792 13.4678 13.4678 k = 0.5000 0.5000 0.5000 ( 9008 PWs) bands (ev): -16.3815 -16.3815 -16.3667 -16.3667 -16.3667 -16.3667 -13.7038 -13.7038 -11.2740 -11.2740 -11.2740 -11.2740 -8.7757 -8.7757 -8.7757 -8.7757 -8.7011 -8.7011 -2.9654 -2.9654 -2.6916 -2.6916 -1.3928 -1.3928 -1.3928 -1.3928 2.2297 2.2297 2.3606 2.3606 2.3606 2.3606 2.3887 2.3887 2.3887 2.3887 2.6126 2.6126 2.6445 2.6445 2.6445 2.6445 6.2841 6.2841 7.7890 7.7890 9.1747 9.1747 9.1747 9.1747 13.4691 13.4691 k = 0.5000 0.5000 0.5000 ( 9008 PWs) bands (ev): -16.3815 -16.3815 -16.3667 -16.3667 -16.3667 -16.3667 -13.7038 -13.7038 -11.2740 -11.2740 -11.2740 -11.2740 -8.7757 -8.7757 -8.7757 -8.7757 -8.7011 -8.7011 -2.9654 -2.9654 -2.6916 -2.6916 -1.3928 -1.3928 -1.3928 -1.3928 2.2297 2.2297 2.3606 2.3606 2.3606 2.3606 2.3887 2.3887 2.3887 2.3887 2.6126 2.6126 2.6445 2.6445 2.6445 2.6445 6.2841 6.2841 7.7890 7.7890 9.1747 9.1747 9.1747 9.1747 13.4691 13.4691 k = 0.4894 0.5000 0.4894 ( 8958 PWs) bands (ev): -16.3816 -16.3816 -16.3668 -16.3668 -16.3667 -16.3667 -13.7038 -13.7038 -11.2740 -11.2740 -11.2738 -11.2738 -8.7756 -8.7756 -8.7754 -8.7754 -8.7010 -8.7010 -2.9642 -2.9642 -2.6913 -2.6913 -1.3925 -1.3925 -1.3922 -1.3922 2.2294 2.2294 2.3596 2.3596 2.3603 2.3603 2.3869 2.3869 2.3880 2.3880 2.6121 2.6121 2.6440 2.6440 2.6442 2.6442 6.2790 6.2790 7.7936 7.7936 9.1772 9.1772 9.1792 9.1792 13.4678 13.4678 k = 0.4787 0.5000 0.4787 ( 8910 PWs) bands (ev): -16.3818 -16.3818 -16.3672 -16.3672 -16.3668 -16.3668 -13.7039 -13.7039 -11.2738 -11.2738 -11.2733 -11.2733 -8.7753 -8.7753 -8.7746 -8.7746 -8.7010 -8.7010 -2.9605 -2.9605 -2.6904 -2.6904 -1.3916 -1.3916 -1.3903 -1.3903 2.2285 2.2285 2.3564 2.3564 2.3590 2.3590 2.3820 2.3820 2.3859 2.3859 2.6107 2.6107 2.6423 2.6423 2.6431 2.6431 6.2637 6.2637 7.8072 7.8072 9.1848 9.1848 9.1929 9.1929 13.4637 13.4637 k = 0.4681 0.5000 0.4681 ( 8894 PWs) bands (ev): -16.3822 -16.3822 -16.3679 -16.3679 -16.3670 -16.3670 -13.7042 -13.7042 -11.2735 -11.2735 -11.2725 -11.2725 -8.7748 -8.7748 -8.7732 -8.7732 -8.7008 -8.7008 -2.9544 -2.9544 -2.6890 -2.6890 -1.3901 -1.3901 -1.3873 -1.3873 2.2270 2.2270 2.3503 2.3503 2.3563 2.3563 2.3750 2.3750 2.3825 2.3825 2.6083 2.6083 2.6396 2.6396 2.6415 2.6415 6.2388 6.2388 7.8293 7.8293 9.1974 9.1974 9.2155 9.2155 13.4567 13.4567 k = 0.4574 0.5000 0.4574 ( 8890 PWs) bands (ev): -16.3827 -16.3827 -16.3688 -16.3688 -16.3672 -16.3672 -13.7045 -13.7045 -11.2730 -11.2730 -11.2712 -11.2712 -8.7741 -8.7741 -8.7713 -8.7713 -8.7006 -8.7006 -2.9459 -2.9459 -2.6871 -2.6871 -1.3881 -1.3881 -1.3830 -1.3830 2.2248 2.2248 2.3400 2.3400 2.3513 2.3513 2.3683 2.3683 2.3777 2.3777 2.6050 2.6050 2.6360 2.6360 2.6393 2.6393 6.2052 6.2052 7.8593 7.8593 9.2150 9.2150 9.2468 9.2468 13.4466 13.4466 k = 0.4468 0.5000 0.4468 ( 8898 PWs) bands (ev): -16.3835 -16.3835 -16.3698 -16.3698 -16.3674 -16.3674 -13.7048 -13.7048 -11.2725 -11.2725 -11.2697 -11.2697 -8.7733 -8.7733 -8.7688 -8.7688 -8.7004 -8.7004 -2.9350 -2.9350 -2.6845 -2.6845 -1.3854 -1.3854 -1.3775 -1.3775 2.2218 2.2218 2.3237 2.3237 2.3440 2.3440 2.3638 2.3638 2.3716 2.3716 2.6008 2.6008 2.6315 2.6315 2.6367 2.6367 6.1639 6.1639 7.8961 7.8961 9.2373 9.2373 9.2865 9.2865 13.4333 13.4333 k = 0.4362 0.5000 0.4362 ( 8898 PWs) bands (ev): -16.3845 -16.3845 -16.3711 -16.3711 -16.3677 -16.3677 -13.7053 -13.7053 -11.2718 -11.2718 -11.2678 -11.2678 -8.7723 -8.7723 -8.7659 -8.7659 -8.7001 -8.7001 -2.9217 -2.9217 -2.6815 -2.6815 -1.3822 -1.3822 -1.3710 -1.3710 2.2180 2.2180 2.3017 2.3017 2.3350 2.3350 2.3605 2.3605 2.3644 2.3644 2.5956 2.5956 2.6263 2.6263 2.6338 2.6338 6.1159 6.1159 7.9390 7.9390 9.2643 9.2643 9.3343 9.3343 13.4165 13.4165 k = 0.4255 0.5000 0.4255 ( 8886 PWs) bands (ev): -16.3858 -16.3858 -16.3724 -16.3724 -16.3680 -16.3680 -13.7058 -13.7058 -11.2710 -11.2710 -11.2656 -11.2656 -8.7711 -8.7711 -8.7624 -8.7624 -8.6997 -8.6997 -2.9061 -2.9061 -2.6779 -2.6779 -1.3784 -1.3784 -1.3633 -1.3633 2.2131 2.2131 2.2748 2.2748 2.3248 2.3248 2.3560 2.3560 2.3577 2.3577 2.5897 2.5897 2.6203 2.6203 2.6306 2.6306 6.0622 6.0622 7.9870 7.9870 9.2958 9.2958 9.3899 9.3899 13.3959 13.3959 k = 0.4149 0.5000 0.4149 ( 8890 PWs) bands (ev): -16.3874 -16.3874 -16.3738 -16.3738 -16.3684 -16.3684 -13.7064 -13.7064 -11.2702 -11.2702 -11.2631 -11.2631 -8.7697 -8.7697 -8.7584 -8.7584 -8.6993 -8.6993 -2.8881 -2.8881 -2.6737 -2.6737 -1.3740 -1.3740 -1.3545 -1.3545 2.2070 2.2070 2.2436 2.2436 2.3132 2.3132 2.3468 2.3468 2.3549 2.3549 2.5831 2.5831 2.6138 2.6138 2.6272 2.6272 6.0037 6.0037 8.0393 8.0393 9.3316 9.3316 9.4528 9.4528 13.3712 13.3712 k = 0.4043 0.5000 0.4043 ( 8878 PWs) bands (ev): -16.3894 -16.3894 -16.3753 -16.3753 -16.3688 -16.3688 -13.7071 -13.7071 -11.2692 -11.2692 -11.2603 -11.2603 -8.7682 -8.7682 -8.7539 -8.7539 -8.6989 -8.6989 -2.8680 -2.8680 -2.6690 -2.6690 -1.3690 -1.3690 -1.3448 -1.3448 2.1991 2.1991 2.2089 2.2089 2.3004 2.3004 2.3371 2.3371 2.3520 2.3520 2.5758 2.5758 2.6066 2.6066 2.6236 2.6236 5.9415 5.9415 8.0952 8.0952 9.3714 9.3714 9.5225 9.5225 13.3425 13.3425 k = 0.3936 0.5000 0.3936 ( 8870 PWs) bands (ev): -16.3918 -16.3918 -16.3767 -16.3767 -16.3692 -16.3692 -13.7078 -13.7078 -11.2681 -11.2681 -11.2573 -11.2573 -8.7665 -8.7665 -8.7489 -8.7489 -8.6984 -8.6984 -2.8456 -2.8456 -2.6637 -2.6637 -1.3636 -1.3636 -1.3341 -1.3341 2.1688 2.1688 2.1915 2.1915 2.2862 2.2862 2.3271 2.3271 2.3490 2.3490 2.5681 2.5681 2.5990 2.5990 2.6197 2.6197 5.8761 5.8761 8.1542 8.1542 9.4150 9.4150 9.5986 9.5986 13.3095 13.3095 k = 0.3830 0.5000 0.3830 ( 8870 PWs) bands (ev): -16.3945 -16.3945 -16.3781 -16.3781 -16.3696 -16.3696 -13.7085 -13.7085 -11.2669 -11.2669 -11.2539 -11.2539 -8.7647 -8.7647 -8.7435 -8.7435 -8.6979 -8.6979 -2.8213 -2.8213 -2.6577 -2.6577 -1.3575 -1.3575 -1.3226 -1.3226 2.1267 2.1267 2.1810 2.1810 2.2702 2.2702 2.3174 2.3174 2.3458 2.3458 2.5599 2.5599 2.5909 2.5909 2.6156 2.6156 5.8083 5.8083 8.2155 8.2155 9.4622 9.4622 9.6807 9.6807 13.2726 13.2726 k = 0.3723 0.5000 0.3723 ( 8872 PWs) bands (ev): -16.3977 -16.3977 -16.3795 -16.3795 -16.3700 -16.3700 -13.7093 -13.7093 -11.2657 -11.2657 -11.2503 -11.2503 -8.7627 -8.7627 -8.7376 -8.7376 -8.6973 -8.6973 -2.7951 -2.7951 -2.6510 -2.6510 -1.3510 -1.3510 -1.3102 -1.3102 2.0815 2.0815 2.1691 2.1691 2.2524 2.2524 2.3083 2.3083 2.3424 2.3424 2.5514 2.5514 2.5824 2.5824 2.6112 2.6112 5.7386 5.7386 8.2788 8.2788 9.5126 9.5126 9.7683 9.7683 13.2319 13.2319 k = 0.3617 0.5000 0.3617 ( 8872 PWs) bands (ev): -16.4011 -16.4011 -16.3808 -16.3808 -16.3704 -16.3704 -13.7101 -13.7101 -11.2644 -11.2644 -11.2465 -11.2465 -8.7606 -8.7606 -8.7313 -8.7313 -8.6968 -8.6968 -2.7675 -2.7675 -2.6431 -2.6431 -1.3439 -1.3439 -1.2972 -1.2972 2.0336 2.0336 2.1557 2.1557 2.2325 2.2325 2.3002 2.3002 2.3390 2.3390 2.5425 2.5425 2.5735 2.5735 2.6066 2.6066 5.6676 5.6676 8.3434 8.3434 9.5660 9.5660 9.8610 9.8610 13.1878 13.1878 k = 0.3511 0.5000 0.3511 ( 8872 PWs) bands (ev): -16.4049 -16.4049 -16.3822 -16.3822 -16.3708 -16.3708 -13.7109 -13.7109 -11.2630 -11.2630 -11.2425 -11.2425 -8.7585 -8.7585 -8.7245 -8.7245 -8.6961 -8.6961 -2.7391 -2.7391 -2.6337 -2.6337 -1.3363 -1.3363 -1.2835 -1.2835 1.9834 1.9834 2.1410 2.1410 2.2105 2.2105 2.2929 2.2929 2.3354 2.3354 2.5334 2.5334 2.5643 2.5643 2.6018 2.6018 5.5958 5.5958 8.4089 8.4089 9.6220 9.6220 9.9583 9.9583 13.1408 13.1408 k = 0.3404 0.5000 0.3404 ( 8880 PWs) bands (ev): -16.4089 -16.4089 -16.3836 -16.3836 -16.3713 -16.3713 -13.7118 -13.7118 -11.2615 -11.2615 -11.2383 -11.2383 -8.7562 -8.7562 -8.7175 -8.7175 -8.6955 -8.6955 -2.7110 -2.7110 -2.6215 -2.6215 -1.3282 -1.3282 -1.2694 -1.2694 1.9312 1.9312 2.1254 2.1254 2.1861 2.1861 2.2866 2.2866 2.3317 2.3317 2.5240 2.5240 2.5549 2.5549 2.5967 2.5967 5.5235 5.5235 8.4749 8.4749 9.6803 9.6803 10.0598 10.0598 13.0710 13.0710 k = 0.3298 0.5000 0.3298 ( 8880 PWs) bands (ev): -16.4131 -16.4131 -16.3850 -16.3850 -16.3717 -16.3717 -13.7126 -13.7126 -11.2600 -11.2600 -11.2339 -11.2339 -8.7538 -8.7538 -8.7100 -8.7100 -8.6948 -8.6948 -2.6854 -2.6854 -2.6045 -2.6045 -1.3197 -1.3197 -1.2548 -1.2548 1.8773 1.8773 2.1090 2.1090 2.1594 2.1594 2.2810 2.2810 2.3280 2.3280 2.5145 2.5145 2.5453 2.5453 2.5913 2.5913 5.4511 5.4511 8.5410 8.5410 9.7407 9.7407 10.1652 10.1652 12.9749 12.9749 k = 0.3191 0.5000 0.3191 ( 8876 PWs) bands (ev): -16.4175 -16.4175 -16.3865 -16.3865 -16.3721 -16.3721 -13.7135 -13.7135 -11.2584 -11.2584 -11.2294 -11.2294 -8.7514 -8.7514 -8.7023 -8.7023 -8.6941 -8.6941 -2.6645 -2.6645 -2.5807 -2.5807 -1.3106 -1.3106 -1.2398 -1.2398 1.8221 1.8221 2.0922 2.0922 2.1304 2.1304 2.2762 2.2762 2.3243 2.3243 2.5048 2.5048 2.5356 2.5356 2.5857 2.5857 5.3790 5.3790 8.6065 8.6065 9.8027 9.8027 10.2739 10.2739 12.8801 12.8801 k = 0.3085 0.5000 0.3085 ( 8880 PWs) bands (ev): -16.4221 -16.4221 -16.3880 -16.3880 -16.3725 -16.3725 -13.7143 -13.7143 -11.2568 -11.2568 -11.2247 -11.2247 -8.7489 -8.7489 -8.6950 -8.6950 -8.6926 -8.6926 -2.6488 -2.6488 -2.5496 -2.5496 -1.3011 -1.3011 -1.2246 -1.2246 1.7659 1.7659 2.0752 2.0752 2.0990 2.0990 2.2719 2.2719 2.3206 2.3206 2.4950 2.4950 2.5257 2.5257 2.5798 2.5798 5.3074 5.3074 8.6712 8.6712 9.8661 9.8661 10.3856 10.3856 12.7870 12.7870 k = 0.2979 0.5000 0.2979 ( 8880 PWs) bands (ev): -16.4268 -16.4268 -16.3895 -16.3895 -16.3729 -16.3729 -13.7152 -13.7152 -11.2552 -11.2552 -11.2199 -11.2199 -8.7463 -8.7463 -8.6931 -8.6931 -8.6856 -8.6856 -2.6369 -2.6369 -2.5128 -2.5128 -1.2912 -1.2912 -1.2093 -1.2093 1.7088 1.7088 2.0584 2.0584 2.0653 2.0653 2.2680 2.2680 2.3169 2.3169 2.4851 2.4851 2.5159 2.5159 2.5737 2.5737 5.2367 5.2367 8.7344 8.7344 9.9306 9.9306 10.4997 10.4997 12.6957 12.6957 k = 0.2872 0.5000 0.2872 ( 8884 PWs) bands (ev): -16.4317 -16.4317 -16.3910 -16.3910 -16.3734 -16.3734 -13.7160 -13.7160 -11.2536 -11.2536 -11.2151 -11.2151 -8.7437 -8.7437 -8.6923 -8.6923 -8.6771 -8.6771 -2.6271 -2.6271 -2.4720 -2.4720 -1.2808 -1.2808 -1.1940 -1.1940 1.6513 1.6513 2.0288 2.0288 2.0422 2.0422 2.2646 2.2646 2.3134 2.3134 2.4752 2.4752 2.5060 2.5060 2.5674 2.5674 5.1672 5.1672 8.7957 8.7957 9.9958 9.9958 10.6156 10.6156 12.6062 12.6062 k = 0.2766 0.5000 0.2766 ( 8888 PWs) bands (ev): -16.4366 -16.4366 -16.3926 -16.3926 -16.3738 -16.3738 -13.7168 -13.7168 -11.2519 -11.2519 -11.2101 -11.2101 -8.7411 -8.7411 -8.6916 -8.6916 -8.6683 -8.6683 -2.6185 -2.6185 -2.4283 -2.4283 -1.2700 -1.2700 -1.1787 -1.1787 1.5937 1.5937 1.9902 1.9902 2.0264 2.0264 2.2614 2.2614 2.3100 2.3100 2.4653 2.4653 2.4963 2.4963 2.5609 2.5609 5.0990 5.0990 8.8545 8.8545 10.0614 10.0614 10.7327 10.7327 12.5189 12.5189 k = 0.2660 0.5000 0.2660 ( 8892 PWs) bands (ev): -16.4416 -16.4416 -16.3941 -16.3941 -16.3742 -16.3742 -13.7175 -13.7175 -11.2503 -11.2503 -11.2052 -11.2052 -8.7385 -8.7385 -8.6909 -8.6909 -8.6594 -8.6594 -2.6107 -2.6107 -2.3823 -2.3823 -1.2587 -1.2587 -1.1636 -1.1636 1.5360 1.5360 1.9491 1.9491 2.0114 2.0114 2.2584 2.2584 2.3067 2.3067 2.4553 2.4553 2.4867 2.4867 2.5542 2.5542 5.0324 5.0324 8.9105 8.9105 10.1272 10.1272 10.8502 10.8502 12.4337 12.4337 k = 0.2553 0.5000 0.2553 ( 8878 PWs) bands (ev): -16.4466 -16.4466 -16.3957 -16.3957 -16.3747 -16.3747 -13.7182 -13.7182 -11.2486 -11.2486 -11.2002 -11.2002 -8.7359 -8.7359 -8.6902 -8.6902 -8.6504 -8.6504 -2.6033 -2.6033 -2.3343 -2.3343 -1.2469 -1.2469 -1.1488 -1.1488 1.4786 1.4786 1.9055 1.9055 1.9973 1.9973 2.2556 2.2556 2.3037 2.3037 2.4455 2.4455 2.4774 2.4774 2.5473 2.5473 4.9676 4.9676 8.9631 8.9631 10.1929 10.1929 10.9671 10.9671 12.3508 12.3508 k = 0.2447 0.5000 0.2447 ( 8878 PWs) bands (ev): -16.4516 -16.4516 -16.3973 -16.3973 -16.3751 -16.3751 -13.7189 -13.7189 -11.2470 -11.2470 -11.1953 -11.1953 -8.7333 -8.7333 -8.6895 -8.6895 -8.6412 -8.6412 -2.5964 -2.5964 -2.2848 -2.2848 -1.2347 -1.2347 -1.1342 -1.1342 1.4218 1.4218 1.8595 1.8595 1.9843 1.9843 2.2530 2.2530 2.3009 2.3009 2.4356 2.4356 2.4683 2.4683 2.5404 2.5404 4.9048 4.9048 9.0118 9.0118 10.2582 10.2582 11.0821 11.0821 12.2704 12.2704 k = 0.2340 0.5000 0.2340 ( 8878 PWs) bands (ev): -16.4566 -16.4566 -16.3988 -16.3988 -16.3756 -16.3756 -13.7195 -13.7195 -11.2453 -11.2453 -11.1903 -11.1903 -8.7307 -8.7307 -8.6888 -8.6888 -8.6320 -8.6320 -2.5898 -2.5898 -2.2339 -2.2339 -1.2219 -1.2219 -1.1201 -1.1201 1.3656 1.3656 1.8112 1.8112 1.9724 1.9724 2.2504 2.2504 2.2984 2.2984 2.4259 2.4259 2.4596 2.4596 2.5333 2.5333 4.8443 4.8443 9.0562 9.0562 10.3228 10.3228 11.1934 11.1934 12.1925 12.1925 k = 0.2234 0.5000 0.2234 ( 8876 PWs) bands (ev): -16.4616 -16.4616 -16.4004 -16.4004 -16.3760 -16.3760 -13.7201 -13.7201 -11.2437 -11.2437 -11.1854 -11.1854 -8.7281 -8.7281 -8.6882 -8.6882 -8.6228 -8.6228 -2.5835 -2.5835 -2.1819 -2.1819 -1.2087 -1.2087 -1.1065 -1.1065 1.3104 1.3104 1.7606 1.7606 1.9616 1.9616 2.2480 2.2480 2.2961 2.2961 2.4163 2.4163 2.4512 2.4512 2.5262 2.5262 4.7860 4.7860 9.0960 9.0960 10.3866 10.3866 11.2988 11.2988 12.1173 12.1173 k = 0.2128 0.5000 0.2128 ( 8880 PWs) bands (ev): -16.4665 -16.4665 -16.4019 -16.4019 -16.3765 -16.3765 -13.7206 -13.7206 -11.2422 -11.2422 -11.1806 -11.1806 -8.7256 -8.7256 -8.6876 -8.6876 -8.6136 -8.6136 -2.5775 -2.5775 -2.1291 -2.1291 -1.1948 -1.1948 -1.0934 -1.0934 1.2563 1.2563 1.7078 1.7078 1.9521 1.9521 2.2457 2.2457 2.2942 2.2942 2.4068 2.4068 2.4434 2.4434 2.5191 2.5191 4.7302 4.7302 9.1310 9.1310 10.4492 10.4492 11.3956 11.3956 12.0449 12.0449 k = 0.2021 0.5000 0.2021 ( 8882 PWs) bands (ev): -16.4713 -16.4713 -16.4034 -16.4034 -16.3769 -16.3769 -13.7211 -13.7211 -11.2406 -11.2406 -11.1759 -11.1759 -8.7231 -8.7231 -8.6870 -8.6870 -8.6046 -8.6046 -2.5718 -2.5718 -2.0758 -2.0758 -1.1802 -1.1802 -1.0808 -1.0808 1.2034 1.2034 1.6530 1.6530 1.9437 1.9437 2.2435 2.2435 2.2925 2.2925 2.3976 2.3976 2.4360 2.4360 2.5120 2.5120 4.6769 4.6769 9.1609 9.1609 10.5105 10.5105 11.4807 11.4807 11.9754 11.9754 k = 0.1915 0.5000 0.1915 ( 8886 PWs) bands (ev): -16.4761 -16.4761 -16.4049 -16.4049 -16.3774 -16.3774 -13.7216 -13.7216 -11.2391 -11.2391 -11.1713 -11.1713 -8.7207 -8.7207 -8.6864 -8.6864 -8.5956 -8.5956 -2.5663 -2.5663 -2.0222 -2.0222 -1.1649 -1.1649 -1.0689 -1.0689 1.1520 1.1520 1.5964 1.5964 1.9365 1.9365 2.2414 2.2414 2.2911 2.2911 2.3885 2.3885 2.4291 2.4291 2.5049 2.5049 4.6263 4.6263 9.1857 9.1857 10.5702 10.5702 11.5511 11.5511 11.9089 11.9089 k = 0.1809 0.5000 0.1809 ( 8884 PWs) bands (ev): -16.4806 -16.4806 -16.4064 -16.4064 -16.3778 -16.3778 -13.7220 -13.7220 -11.2377 -11.2377 -11.1668 -11.1668 -8.7184 -8.7184 -8.6858 -8.6858 -8.5868 -8.5868 -2.5611 -2.5611 -1.9687 -1.9687 -1.1487 -1.1487 -1.0576 -1.0576 1.1021 1.1021 1.5382 1.5382 1.9305 1.9305 2.2394 2.2394 2.2900 2.2900 2.3797 2.3797 2.4228 2.4228 2.4980 2.4980 4.5784 4.5784 9.2055 9.2055 10.6279 10.6279 11.6053 11.6053 11.8457 11.8457 k = 0.1702 0.5000 0.1702 ( 8884 PWs) bands (ev): -16.4851 -16.4851 -16.4078 -16.4078 -16.3783 -16.3783 -13.7223 -13.7223 -11.2363 -11.2363 -11.1625 -11.1625 -8.7162 -8.7162 -8.6853 -8.6853 -8.5782 -8.5782 -2.5561 -2.5561 -1.9157 -1.9157 -1.1314 -1.1314 -1.0470 -1.0470 1.0540 1.0540 1.4786 1.4786 1.9254 1.9254 2.2376 2.2376 2.2892 2.2892 2.3712 2.3712 2.4169 2.4169 2.4913 2.4913 4.5333 4.5333 9.2205 9.2205 10.6834 10.6834 11.6433 11.6433 11.7860 11.7860 k = 0.1596 0.5000 0.1596 ( 8890 PWs) bands (ev): -16.4894 -16.4894 -16.4091 -16.4091 -16.3787 -16.3787 -13.7226 -13.7226 -11.2350 -11.2350 -11.1584 -11.1584 -8.7141 -8.7141 -8.6848 -8.6848 -8.5699 -8.5699 -2.5515 -2.5515 -1.8636 -1.8636 -1.1129 -1.1129 -1.0370 -1.0370 1.0076 1.0076 1.4180 1.4180 1.9214 1.9214 2.2359 2.2359 2.2885 2.2885 2.3630 2.3630 2.4115 2.4115 2.4849 2.4849 4.4910 4.4910 9.2309 9.2309 10.7362 10.7362 11.6661 11.6661 11.7312 11.7312 k = 0.1489 0.5000 0.1489 ( 8886 PWs) bands (ev): -16.4935 -16.4935 -16.4104 -16.4104 -16.3792 -16.3792 -13.7229 -13.7229 -11.2337 -11.2337 -11.1544 -11.1544 -8.7120 -8.7120 -8.6843 -8.6843 -8.5618 -8.5618 -2.5471 -2.5471 -1.8130 -1.8130 -1.0931 -1.0931 -1.0276 -1.0276 0.9630 0.9630 1.3568 1.3568 1.9182 1.9182 2.2344 2.2344 2.2881 2.2881 2.3552 2.3552 2.4066 2.4066 2.4788 2.4788 4.4516 4.4516 9.2372 9.2372 10.7860 10.7860 11.6620 11.6620 11.6964 11.6964 k = 0.1383 0.5000 0.1383 ( 8886 PWs) bands (ev): -16.4974 -16.4974 -16.4116 -16.4116 -16.3796 -16.3796 -13.7231 -13.7231 -11.2325 -11.2325 -11.1507 -11.1507 -8.7101 -8.7101 -8.6839 -8.6839 -8.5541 -8.5541 -2.5431 -2.5431 -1.7643 -1.7643 -1.0719 -1.0719 -1.0187 -1.0187 0.9204 0.9204 1.2954 1.2954 1.9157 1.9157 2.2330 2.2330 2.2878 2.2878 2.3479 2.3479 2.4020 2.4020 2.4732 2.4732 4.4149 4.4149 9.2398 9.2398 10.8323 10.8323 11.6191 11.6191 11.6970 11.6970 k = 0.1277 0.5000 0.1277 ( 8886 PWs) bands (ev): -16.5010 -16.5010 -16.4127 -16.4127 -16.3800 -16.3800 -13.7233 -13.7233 -11.2314 -11.2314 -11.1471 -11.1471 -8.7083 -8.7083 -8.6835 -8.6835 -8.5468 -8.5468 -2.5393 -2.5393 -1.7180 -1.7180 -1.0492 -1.0492 -1.0101 -1.0101 0.8796 0.8796 1.2343 1.2343 1.9139 1.9139 2.2318 2.2318 2.2876 2.2876 2.3411 2.3411 2.3978 2.3978 2.4680 2.4680 4.3811 4.3811 9.2393 9.2393 10.8749 10.8749 11.5735 11.5735 11.6998 11.6998 k = 0.1170 0.5000 0.1170 ( 8870 PWs) bands (ev): -16.5045 -16.5045 -16.4138 -16.4138 -16.3804 -16.3804 -13.7235 -13.7235 -11.2304 -11.2304 -11.1438 -11.1438 -8.7066 -8.7066 -8.6831 -8.6831 -8.5399 -8.5399 -2.5359 -2.5359 -1.6747 -1.6747 -1.0260 -1.0260 -1.0010 -1.0010 0.8408 0.8408 1.1743 1.1743 1.9127 1.9127 2.2309 2.2309 2.2874 2.2874 2.3348 2.3348 2.3938 2.3938 2.4635 2.4635 4.3502 4.3502 9.2361 9.2361 10.9133 10.9133 11.5305 11.5305 11.7016 11.7016 k = 0.1064 0.5000 0.1064 ( 8876 PWs) bands (ev): -16.5076 -16.5076 -16.4148 -16.4148 -16.3807 -16.3807 -13.7236 -13.7236 -11.2294 -11.2294 -11.1407 -11.1407 -8.7050 -8.7050 -8.6827 -8.6827 -8.5335 -8.5335 -2.5327 -2.5327 -1.6349 -1.6349 -1.0066 -1.0066 -0.9867 -0.9867 0.8038 0.8038 1.1159 1.1159 1.9119 1.9119 2.2301 2.2301 2.2873 2.2873 2.3291 2.3291 2.3900 2.3900 2.4595 2.4595 4.3220 4.3220 9.2310 9.2310 10.9472 10.9472 11.4909 11.4909 11.7033 11.7033 k = 0.0957 0.5000 0.0957 ( 8880 PWs) bands (ev): -16.5106 -16.5106 -16.4157 -16.4157 -16.3810 -16.3810 -13.7237 -13.7237 -11.2285 -11.2285 -11.1379 -11.1379 -8.7036 -8.7036 -8.6824 -8.6824 -8.5275 -8.5275 -2.5299 -2.5299 -1.5989 -1.5989 -0.9963 -0.9963 -0.9625 -0.9625 0.7685 0.7685 1.0601 1.0601 1.9114 1.9114 2.2295 2.2295 2.2871 2.2871 2.3242 2.3242 2.3864 2.3864 2.4562 2.4562 4.2967 4.2967 9.2244 9.2244 10.9766 10.9766 11.4548 11.4548 11.7057 11.7057 k = 0.0851 0.5000 0.0851 ( 8880 PWs) bands (ev): -16.5132 -16.5132 -16.4166 -16.4166 -16.3813 -16.3813 -13.7238 -13.7238 -11.2277 -11.2277 -11.1354 -11.1354 -8.7023 -8.7023 -8.6821 -8.6821 -8.5221 -8.5221 -2.5273 -2.5273 -1.5669 -1.5669 -0.9898 -0.9898 -0.9338 -0.9338 0.7348 0.7348 1.0077 1.0077 1.9112 1.9112 2.2290 2.2290 2.2867 2.2867 2.3200 2.3200 2.3829 2.3829 2.4535 2.4535 4.2741 4.2741 9.2169 9.2169 11.0014 11.0014 11.4224 11.4224 11.7092 11.7092 k = 0.0745 0.5000 0.0745 ( 8878 PWs) bands (ev): -16.5156 -16.5156 -16.4173 -16.4173 -16.3816 -16.3816 -13.7239 -13.7239 -11.2270 -11.2270 -11.1331 -11.1331 -8.7011 -8.7011 -8.6819 -8.6819 -8.5172 -8.5172 -2.5251 -2.5251 -1.5392 -1.5392 -0.9847 -0.9847 -0.9037 -0.9037 0.7028 0.7028 0.9598 0.9598 1.9112 1.9112 2.2287 2.2287 2.2862 2.2862 2.3165 2.3165 2.3796 2.3796 2.4514 2.4514 4.2542 4.2542 9.2090 9.2090 11.0219 11.0219 11.3936 11.3936 11.7138 11.7138 k = 0.0638 0.5000 0.0638 ( 8878 PWs) bands (ev): -16.5177 -16.5177 -16.4180 -16.4180 -16.3819 -16.3819 -13.7239 -13.7239 -11.2264 -11.2264 -11.1311 -11.1311 -8.7001 -8.7001 -8.6816 -8.6816 -8.5130 -8.5130 -2.5232 -2.5232 -1.5156 -1.5156 -0.9804 -0.9804 -0.8737 -0.8737 0.6724 0.6724 0.9172 0.9172 1.9113 1.9113 2.2286 2.2286 2.2856 2.2856 2.3138 2.3138 2.3764 2.3764 2.4499 2.4499 4.2370 4.2370 9.2011 9.2011 11.0384 11.0384 11.3686 11.3686 11.7192 11.7192 k = 0.0532 0.5000 0.0532 ( 8878 PWs) bands (ev): -16.5194 -16.5194 -16.4185 -16.4185 -16.3821 -16.3821 -13.7239 -13.7239 -11.2259 -11.2259 -11.1294 -11.1294 -8.6993 -8.6993 -8.6815 -8.6815 -8.5093 -8.5093 -2.5215 -2.5215 -1.4961 -1.4961 -0.9769 -0.9769 -0.8449 -0.8449 0.6440 0.6440 0.8808 0.8808 1.9114 1.9114 2.2285 2.2285 2.2847 2.2847 2.3119 2.3119 2.3736 2.3736 2.4488 2.4488 4.2226 4.2226 9.1937 9.1937 11.0512 11.0512 11.3474 11.3474 11.7251 11.7251 k = 0.0426 0.5000 0.0426 ( 8880 PWs) bands (ev): -16.5209 -16.5209 -16.4190 -16.4190 -16.3822 -16.3822 -13.7240 -13.7240 -11.2254 -11.2254 -11.1281 -11.1281 -8.6986 -8.6986 -8.6813 -8.6813 -8.5063 -8.5063 -2.5202 -2.5202 -1.4806 -1.4806 -0.9741 -0.9741 -0.8187 -0.8187 0.6185 0.6185 0.8509 0.8509 1.9116 1.9116 2.2285 2.2285 2.2838 2.2838 2.3106 2.3106 2.3711 2.3711 2.4480 2.4480 4.2107 4.2107 9.1872 9.1872 11.0609 11.0609 11.3300 11.3300 11.7309 11.7309 k = 0.0319 0.5000 0.0319 ( 8868 PWs) bands (ev): -16.5220 -16.5220 -16.4193 -16.4193 -16.3824 -16.3824 -13.7240 -13.7240 -11.2251 -11.2251 -11.1270 -11.1270 -8.6980 -8.6980 -8.6812 -8.6812 -8.5039 -8.5039 -2.5191 -2.5191 -1.4687 -1.4687 -0.9719 -0.9719 -0.7965 -0.7965 0.5967 0.5967 0.8279 0.8279 1.9118 1.9118 2.2285 2.2285 2.2830 2.2830 2.3097 2.3097 2.3690 2.3690 2.4476 2.4476 4.2016 4.2016 9.1818 9.1818 11.0679 11.0679 11.3164 11.3164 11.7360 11.7360 k = 0.0213 0.5000 0.0213 ( 8880 PWs) bands (ev): -16.5228 -16.5228 -16.4196 -16.4196 -16.3825 -16.3825 -13.7240 -13.7240 -11.2249 -11.2249 -11.1262 -11.1262 -8.6976 -8.6976 -8.6811 -8.6811 -8.5022 -8.5022 -2.5184 -2.5184 -1.4604 -1.4604 -0.9704 -0.9704 -0.7795 -0.7795 0.5799 0.5799 0.8116 0.8116 1.9119 1.9119 2.2285 2.2285 2.2823 2.2823 2.3093 2.3093 2.3675 2.3675 2.4473 2.4473 4.1950 4.1950 9.1778 9.1778 11.0726 11.0726 11.3067 11.3067 11.7401 11.7401 k = 0.0106 0.5000 0.0106 ( 8874 PWs) bands (ev): -16.5233 -16.5233 -16.4197 -16.4197 -16.3825 -16.3825 -13.7240 -13.7240 -11.2247 -11.2247 -11.1257 -11.1257 -8.6974 -8.6974 -8.6811 -8.6811 -8.5012 -8.5012 -2.5180 -2.5180 -1.4555 -1.4555 -0.9695 -0.9695 -0.7688 -0.7688 0.5693 0.5693 0.8020 0.8020 1.9120 1.9120 2.2285 2.2285 2.2819 2.2819 2.3090 2.3090 2.3665 2.3665 2.4471 2.4471 4.1911 4.1911 9.1753 9.1753 11.0753 11.0753 11.3009 11.3009 11.7427 11.7427 k = 0.0000 0.5000-0.0000 ( 8858 PWs) bands (ev): -16.5235 -16.5235 -16.4198 -16.4198 -16.3826 -16.3826 -13.7240 -13.7240 -11.2247 -11.2247 -11.1256 -11.1256 -8.6973 -8.6973 -8.6810 -8.6810 -8.5008 -8.5008 -2.5178 -2.5178 -1.4538 -1.4538 -0.9692 -0.9692 -0.7651 -0.7651 0.5656 0.5656 0.7988 0.7988 1.9121 1.9121 2.2286 2.2286 2.2817 2.2817 2.3089 2.3089 2.3662 2.3662 2.4471 2.4471 4.1898 4.1898 9.1745 9.1745 11.0762 11.0762 11.2989 11.2989 11.7436 11.7436 k = 0.5000 0.5000-0.0000 ( 8868 PWs) bands (ev): -16.4695 -16.4695 -16.3790 -16.3790 -16.3691 -16.3691 -13.7232 -13.7232 -11.2714 -11.2714 -11.1773 -11.1773 -8.7726 -8.7726 -8.6884 -8.6884 -8.6098 -8.6098 -2.5708 -2.5708 -2.1900 -2.1900 -1.3016 -1.3016 -1.0022 -1.0022 0.8162 0.8162 1.8288 1.8288 2.2236 2.2236 2.2342 2.2342 2.3549 2.3549 2.3704 2.3704 2.3815 2.3815 2.6256 2.6256 5.3089 5.3089 9.0593 9.0593 10.4822 10.4822 11.7129 11.7129 12.0355 12.0355 k = 0.5000 0.5000 0.0152 ( 8868 PWs) bands (ev): -16.4693 -16.4693 -16.3790 -16.3790 -16.3691 -16.3691 -13.7231 -13.7231 -11.2714 -11.2714 -11.1775 -11.1775 -8.7726 -8.7726 -8.6884 -8.6884 -8.6101 -8.6101 -2.5711 -2.5711 -2.1927 -2.1927 -1.3018 -1.3018 -1.0033 -1.0033 0.8207 0.8207 1.8301 1.8301 2.2241 2.2241 2.2342 2.2342 2.3556 2.3556 2.3708 2.3708 2.3816 2.3816 2.6256 2.6256 5.3100 5.3100 9.0565 9.0565 10.4777 10.4777 11.7160 11.7160 11.9509 11.9509 k = 0.5000 0.5000 0.0303 ( 8880 PWs) bands (ev): -16.4687 -16.4687 -16.3789 -16.3789 -16.3691 -16.3691 -13.7230 -13.7230 -11.2714 -11.2714 -11.1781 -11.1781 -8.7726 -8.7726 -8.6885 -8.6885 -8.6113 -8.6113 -2.5719 -2.5719 -2.2006 -2.2006 -1.3024 -1.3024 -1.0066 -1.0066 0.8341 0.8341 1.8340 1.8340 2.2255 2.2255 2.2342 2.2342 2.3577 2.3577 2.3719 2.3719 2.3817 2.3817 2.6257 2.6257 5.3131 5.3131 9.0482 9.0482 10.4641 10.4641 11.7252 11.7252 11.8457 11.8457 k = 0.5000 0.5000 0.0455 ( 8880 PWs) bands (ev): -16.4676 -16.4676 -16.3789 -16.3789 -16.3691 -16.3691 -13.7228 -13.7228 -11.2714 -11.2714 -11.1791 -11.1791 -8.7727 -8.7727 -8.6886 -8.6886 -8.6132 -8.6132 -2.5732 -2.5732 -2.2136 -2.2136 -1.3035 -1.3035 -1.0119 -1.0119 0.8561 0.8561 1.8404 1.8404 2.2279 2.2279 2.2342 2.2342 2.3611 2.3611 2.3737 2.3737 2.3819 2.3819 2.6258 2.6258 5.3183 5.3183 9.0345 9.0345 10.4420 10.4420 11.7384 11.7384 11.7405 11.7405 k = 0.5000 0.5000 0.0606 ( 8888 PWs) bands (ev): -16.4662 -16.4662 -16.3789 -16.3789 -16.3690 -16.3690 -13.7225 -13.7225 -11.2715 -11.2715 -11.1805 -11.1805 -8.7727 -8.7727 -8.6888 -8.6888 -8.6158 -8.6158 -2.5750 -2.5750 -2.2313 -2.2313 -1.3050 -1.3050 -1.0193 -1.0193 0.8864 0.8864 1.8493 1.8493 2.2312 2.2312 2.2342 2.2342 2.3656 2.3656 2.3764 2.3764 2.3824 2.3824 2.6259 2.6259 5.3256 5.3256 9.0156 9.0156 10.4120 10.4120 11.6297 11.6297 11.7619 11.7619 k = 0.5000 0.5000 0.0758 ( 8880 PWs) bands (ev): -16.4643 -16.4643 -16.3788 -16.3788 -16.3690 -16.3690 -13.7221 -13.7221 -11.2715 -11.2715 -11.1823 -11.1823 -8.7728 -8.7728 -8.6891 -8.6891 -8.6191 -8.6191 -2.5773 -2.5773 -2.2533 -2.2533 -1.3069 -1.3069 -1.0285 -1.0285 0.9244 0.9244 1.8605 1.8605 2.2344 2.2344 2.2353 2.2353 2.3708 2.3708 2.3798 2.3798 2.3834 2.3834 2.6261 2.6261 5.3350 5.3350 8.9918 8.9918 10.3749 10.3749 11.5200 11.5200 11.7894 11.7894 k = 0.5000 0.5000 0.0909 ( 8888 PWs) bands (ev): -16.4620 -16.4620 -16.3787 -16.3787 -16.3689 -16.3689 -13.7217 -13.7217 -11.2716 -11.2716 -11.1845 -11.1845 -8.7728 -8.7728 -8.6894 -8.6894 -8.6231 -8.6231 -2.5800 -2.5800 -2.2791 -2.2791 -1.3091 -1.3091 -1.0396 -1.0396 0.9695 0.9695 1.8738 1.8738 2.2347 2.2347 2.2401 2.2401 2.3756 2.3756 2.3840 2.3840 2.3861 2.3861 2.6263 2.6263 5.3467 5.3467 8.9633 8.9633 10.3317 10.3317 11.4095 11.4095 11.8230 11.8230 k = 0.5000 0.5000 0.1061 ( 8888 PWs) bands (ev): -16.4594 -16.4594 -16.3787 -16.3787 -16.3689 -16.3689 -13.7211 -13.7211 -11.2716 -11.2716 -11.1870 -11.1870 -8.7729 -8.7729 -8.6897 -8.6897 -8.6278 -8.6278 -2.5832 -2.5832 -2.3082 -2.3082 -1.3117 -1.3117 -1.0522 -1.0522 1.0210 1.0210 1.8891 1.8891 2.2352 2.2352 2.2456 2.2456 2.3783 2.3783 2.3890 2.3890 2.3918 2.3918 2.6265 2.6265 5.3605 5.3605 8.9305 8.9305 10.2833 10.2833 11.2985 11.2985 11.8626 11.8626 k = 0.5000 0.5000 0.1212 ( 8888 PWs) bands (ev): -16.4564 -16.4564 -16.3786 -16.3786 -16.3688 -16.3688 -13.7205 -13.7205 -11.2717 -11.2717 -11.1899 -11.1899 -8.7730 -8.7730 -8.6901 -8.6901 -8.6330 -8.6330 -2.5868 -2.5868 -2.3400 -2.3400 -1.3147 -1.3147 -1.0663 -1.0663 1.0781 1.0781 1.9061 1.9061 2.2360 2.2360 2.2516 2.2516 2.3795 2.3795 2.3949 2.3949 2.4001 2.4001 2.6268 2.6268 5.3767 5.3767 8.8938 8.8938 10.2307 10.2307 11.1871 11.1871 11.9083 11.9083 k = 0.5000 0.5000 0.1364 ( 8880 PWs) bands (ev): -16.4532 -16.4532 -16.3785 -16.3785 -16.3687 -16.3687 -13.7199 -13.7199 -11.2718 -11.2718 -11.1930 -11.1930 -8.7731 -8.7731 -8.6906 -8.6906 -8.6388 -8.6388 -2.5909 -2.5909 -2.3740 -2.3740 -1.3179 -1.3179 -1.0816 -1.0816 1.1399 1.1399 1.9247 1.9247 2.2370 2.2370 2.2581 2.2581 2.3801 2.3801 2.4015 2.4015 2.4098 2.4098 2.6271 2.6271 5.3953 5.3953 8.8536 8.8536 10.1747 10.1747 11.0755 11.0755 11.9601 11.9601 k = 0.5000 0.5000 0.1515 ( 8884 PWs) bands (ev): -16.4496 -16.4496 -16.3783 -16.3783 -16.3686 -16.3686 -13.7191 -13.7191 -11.2719 -11.2719 -11.1965 -11.1965 -8.7732 -8.7732 -8.6910 -8.6910 -8.6450 -8.6450 -2.5952 -2.5952 -2.4096 -2.4096 -1.3214 -1.3214 -1.0980 -1.0980 1.2059 1.2059 1.9445 1.9445 2.2384 2.2384 2.2649 2.2649 2.3804 2.3804 2.4090 2.4090 2.4205 2.4205 2.6275 2.6275 5.4163 5.4163 8.8102 8.8102 10.1161 10.1161 10.9639 10.9639 12.0178 12.0178 k = 0.5000 0.5000 0.1667 ( 8872 PWs) bands (ev): -16.4458 -16.4458 -16.3782 -16.3782 -16.3685 -16.3685 -13.7184 -13.7184 -11.2720 -11.2720 -11.2002 -11.2002 -8.7734 -8.7734 -8.6916 -8.6916 -8.6517 -8.6517 -2.5999 -2.5999 -2.4463 -2.4463 -1.3251 -1.3251 -1.1153 -1.1153 1.2751 1.2751 1.9653 1.9653 2.2401 2.2401 2.2719 2.2719 2.3807 2.3807 2.4174 2.4174 2.4320 2.4320 2.6278 2.6278 5.4397 5.4397 8.7642 8.7642 10.0559 10.0559 10.8525 10.8525 12.0815 12.0815 k = 0.5000 0.5000 0.1818 ( 8884 PWs) bands (ev): -16.4417 -16.4417 -16.3781 -16.3781 -16.3684 -16.3684 -13.7175 -13.7175 -11.2721 -11.2721 -11.2042 -11.2042 -8.7735 -8.7735 -8.6921 -8.6921 -8.6588 -8.6588 -2.6049 -2.6049 -2.4836 -2.4836 -1.3291 -1.3291 -1.1332 -1.1332 1.3467 1.3467 1.9868 1.9868 2.2422 2.2422 2.2790 2.2790 2.3810 2.3810 2.4266 2.4266 2.4441 2.4441 2.6282 2.6282 5.4658 5.4658 8.7158 8.7158 9.9945 9.9945 10.7414 10.7414 12.1510 12.1510 k = 0.5000 0.5000 0.1970 ( 8884 PWs) bands (ev): -16.4375 -16.4375 -16.3779 -16.3779 -16.3683 -16.3683 -13.7167 -13.7167 -11.2723 -11.2723 -11.2084 -11.2084 -8.7736 -8.7736 -8.6927 -8.6927 -8.6662 -8.6662 -2.6102 -2.6102 -2.5212 -2.5212 -1.3332 -1.3332 -1.1516 -1.1516 1.4201 1.4201 2.0088 2.0088 2.2447 2.2447 2.2862 2.2862 2.3812 2.3812 2.4365 2.4365 2.4566 2.4566 2.6286 2.6286 5.4945 5.4945 8.6656 8.6656 9.9327 9.9327 10.6309 10.6309 12.2265 12.2265 k = 0.5000 0.5000 0.2121 ( 8892 PWs) bands (ev): -16.4332 -16.4332 -16.3777 -16.3777 -16.3682 -16.3682 -13.7158 -13.7158 -11.2724 -11.2724 -11.2127 -11.2127 -8.7737 -8.7737 -8.6932 -8.6932 -8.6738 -8.6738 -2.6156 -2.6156 -2.5587 -2.5587 -1.3374 -1.3374 -1.1702 -1.1702 1.4944 1.4944 2.0310 2.0310 2.2475 2.2475 2.2932 2.2932 2.3815 2.3815 2.4472 2.4472 2.4695 2.4695 2.6291 2.6291 5.5258 5.5258 8.6137 8.6137 9.8711 9.8711 10.5212 10.5212 12.3077 12.3077 k = 0.5000 0.5000 0.2273 ( 8888 PWs) bands (ev): -16.4287 -16.4287 -16.3775 -16.3775 -16.3681 -16.3681 -13.7149 -13.7149 -11.2725 -11.2725 -11.2172 -11.2172 -8.7739 -8.7739 -8.6938 -8.6938 -8.6816 -8.6816 -2.6212 -2.6212 -2.5956 -2.5956 -1.3417 -1.3417 -1.1889 -1.1889 1.5691 1.5691 2.0530 2.0530 2.2509 2.2509 2.3001 2.3001 2.3817 2.3817 2.4585 2.4585 2.4827 2.4827 2.6296 2.6296 5.5599 5.5599 8.5607 8.5607 9.8100 9.8100 10.4125 10.4125 12.3946 12.3946 k = 0.5000 0.5000 0.2424 ( 8896 PWs) bands (ev): -16.4241 -16.4241 -16.3773 -16.3773 -16.3680 -16.3680 -13.7140 -13.7140 -11.2726 -11.2726 -11.2217 -11.2217 -8.7740 -8.7740 -8.6944 -8.6944 -8.6894 -8.6894 -2.6317 -2.6317 -2.6269 -2.6269 -1.3460 -1.3460 -1.2075 -1.2075 1.6433 1.6433 2.0747 2.0747 2.2547 2.2547 2.3068 2.3068 2.3819 2.3819 2.4703 2.4703 2.4961 2.4961 2.6301 2.6301 5.5966 5.5966 8.5068 8.5068 9.7500 9.7500 10.3053 10.3053 12.4872 12.4872 k = 0.5000 0.5000 0.2576 ( 8892 PWs) bands (ev): -16.4196 -16.4196 -16.3771 -16.3771 -16.3679 -16.3679 -13.7130 -13.7130 -11.2728 -11.2728 -11.2263 -11.2263 -8.7742 -8.7742 -8.6973 -8.6973 -8.6950 -8.6950 -2.6668 -2.6668 -2.6326 -2.6326 -1.3503 -1.3503 -1.2258 -1.2258 1.7165 1.7165 2.0956 2.0956 2.2591 2.2591 2.3133 2.3133 2.3821 2.3821 2.4825 2.4825 2.5095 2.5095 2.6306 2.6306 5.6361 5.6361 8.4522 8.4522 9.6915 9.6915 10.1998 10.1998 12.5853 12.5853 k = 0.5000 0.5000 0.2727 ( 8884 PWs) bands (ev): -16.4151 -16.4151 -16.3769 -16.3769 -16.3677 -16.3677 -13.7121 -13.7121 -11.2729 -11.2729 -11.2309 -11.2309 -8.7743 -8.7743 -8.7052 -8.7052 -8.6956 -8.6956 -2.7006 -2.7006 -2.6383 -2.6383 -1.3546 -1.3546 -1.2438 -1.2438 1.7881 1.7881 2.1155 2.1155 2.2642 2.2642 2.3194 2.3194 2.3824 2.3824 2.4950 2.4950 2.5228 2.5228 2.6311 2.6311 5.6781 5.6781 8.3974 8.3974 9.6348 9.6348 10.0964 10.0964 12.6888 12.6888 k = 0.5000 0.5000 0.2879 ( 8876 PWs) bands (ev): -16.4106 -16.4106 -16.3766 -16.3766 -16.3676 -16.3676 -13.7112 -13.7112 -11.2730 -11.2730 -11.2355 -11.2355 -8.7745 -8.7745 -8.7129 -8.7129 -8.6962 -8.6962 -2.7329 -2.7329 -2.6440 -2.6440 -1.3589 -1.3589 -1.2612 -1.2612 1.8575 1.8575 2.1341 2.1341 2.2700 2.2700 2.3253 2.3253 2.3826 2.3826 2.5076 2.5076 2.5359 2.5359 2.6317 2.6317 5.7226 5.7226 8.3425 8.3425 9.5803 9.5803 9.9956 9.9956 12.7975 12.7975 k = 0.5000 0.5000 0.3030 ( 8884 PWs) bands (ev): -16.4063 -16.4063 -16.3763 -16.3763 -16.3675 -16.3675 -13.7103 -13.7103 -11.2731 -11.2731 -11.2400 -11.2400 -8.7746 -8.7746 -8.7205 -8.7205 -8.6968 -8.6968 -2.7635 -2.7635 -2.6496 -2.6496 -1.3630 -1.3630 -1.2779 -1.2779 1.9242 1.9242 2.1510 2.1510 2.2766 2.2766 2.3308 2.3308 2.3829 2.3829 2.5202 2.5202 2.5488 2.5488 2.6323 2.6323 5.7694 5.7694 8.2877 8.2877 9.5283 9.5283 9.8978 9.8978 12.9113 12.9113 k = 0.5000 0.5000 0.3182 ( 8884 PWs) bands (ev): -16.4022 -16.4022 -16.3759 -16.3759 -16.3674 -16.3674 -13.7095 -13.7095 -11.2732 -11.2732 -11.2444 -11.2444 -8.7747 -8.7747 -8.7278 -8.7278 -8.6974 -8.6974 -2.7923 -2.7923 -2.6551 -2.6551 -1.3669 -1.3669 -1.2937 -1.2937 1.9876 1.9876 2.1660 2.1660 2.2841 2.2841 2.3360 2.3360 2.3831 2.3831 2.5325 2.5325 2.5613 2.5613 2.6329 2.6329 5.8182 5.8182 8.2334 8.2334 9.4790 9.4790 9.8036 9.8036 13.0300 13.0300 k = 0.5000 0.5000 0.3333 ( 8888 PWs) bands (ev): -16.3984 -16.3984 -16.3755 -16.3755 -16.3673 -16.3673 -13.7086 -13.7086 -11.2734 -11.2734 -11.2486 -11.2486 -8.7749 -8.7749 -8.7347 -8.7347 -8.6979 -8.6979 -2.8192 -2.8192 -2.6603 -2.6603 -1.3707 -1.3707 -1.3087 -1.3087 2.0474 2.0474 2.1791 2.1791 2.2924 2.2924 2.3409 2.3409 2.3834 2.3834 2.5445 2.5445 2.5732 2.5732 2.6336 2.6336 5.8686 5.8686 8.1798 8.1798 9.4327 9.4327 9.7135 9.7135 13.1533 13.1533 k = 0.5000 0.5000 0.3485 ( 8868 PWs) bands (ev): -16.3948 -16.3948 -16.3749 -16.3749 -16.3672 -16.3672 -13.7079 -13.7079 -11.2735 -11.2735 -11.2526 -11.2526 -8.7750 -8.7750 -8.7413 -8.7413 -8.6984 -8.6984 -2.8440 -2.8440 -2.6652 -2.6652 -1.3743 -1.3743 -1.3227 -1.3227 2.1031 2.1031 2.1902 2.1902 2.3013 2.3013 2.3454 2.3454 2.3837 2.3837 2.5559 2.5559 2.5845 2.5845 2.6343 2.6343 5.9201 5.9201 8.1271 8.1271 9.3897 9.3897 9.6281 9.6281 13.2808 13.2808 k = 0.5000 0.5000 0.3636 ( 8868 PWs) bands (ev): -16.3917 -16.3917 -16.3743 -16.3743 -16.3671 -16.3671 -13.7071 -13.7071 -11.2736 -11.2736 -11.2564 -11.2564 -8.7751 -8.7751 -8.7474 -8.7474 -8.6989 -8.6989 -2.8666 -2.8666 -2.6699 -2.6699 -1.3776 -1.3776 -1.3355 -1.3355 2.1544 2.1544 2.1994 2.1994 2.3106 2.3106 2.3496 2.3496 2.3841 2.3841 2.5666 2.5666 2.5951 2.5951 2.6351 2.6351 5.9720 5.9720 8.0758 8.0758 9.3502 9.3502 9.5482 9.5482 13.3606 13.3606 k = 0.5000 0.5000 0.3788 ( 8876 PWs) bands (ev): -16.3890 -16.3890 -16.3734 -16.3734 -16.3670 -16.3670 -13.7065 -13.7065 -11.2737 -11.2737 -11.2599 -11.2599 -8.7752 -8.7752 -8.7531 -8.7531 -8.6993 -8.6993 -2.8871 -2.8871 -2.6742 -2.6742 -1.3807 -1.3807 -1.3472 -1.3472 2.2009 2.2009 2.2069 2.2069 2.3199 2.3199 2.3534 2.3534 2.3845 2.3845 2.5765 2.5765 2.6049 2.6049 2.6360 2.6360 6.0237 6.0237 8.0262 8.0262 9.3143 9.3143 9.4744 9.4744 13.3829 13.3829 k = 0.5000 0.5000 0.3939 ( 8876 PWs) bands (ev): -16.3868 -16.3868 -16.3725 -16.3725 -16.3670 -16.3670 -13.7059 -13.7059 -11.2737 -11.2737 -11.2630 -11.2630 -8.7753 -8.7753 -8.7582 -8.7582 -8.6997 -8.6997 -2.9053 -2.9053 -2.6781 -2.6781 -1.3834 -1.3834 -1.3577 -1.3577 2.2130 2.2130 2.2423 2.2423 2.3288 2.3288 2.3570 2.3570 2.3849 2.3849 2.5853 2.5853 2.6138 2.6138 2.6371 2.6371 6.0742 6.0742 7.9789 7.9789 9.2822 9.2822 9.4073 9.4073 13.4027 13.4027 k = 0.5000 0.5000 0.4091 ( 8876 PWs) bands (ev): -16.3851 -16.3851 -16.3714 -16.3714 -16.3669 -16.3669 -13.7053 -13.7053 -11.2738 -11.2738 -11.2659 -11.2659 -8.7754 -8.7754 -8.7627 -8.7627 -8.7001 -8.7001 -2.9211 -2.9211 -2.6815 -2.6815 -1.3858 -1.3858 -1.3669 -1.3669 2.2179 2.2179 2.2783 2.2783 2.3370 2.3370 2.3603 2.3603 2.3855 2.3855 2.5929 2.5929 2.6217 2.6217 2.6383 2.6383 6.1223 6.1223 7.9346 7.9346 9.2541 9.2541 9.3477 9.3477 13.4202 13.4202 k = 0.5000 0.5000 0.4242 ( 8876 PWs) bands (ev): -16.3838 -16.3838 -16.3702 -16.3702 -16.3668 -16.3668 -13.7049 -13.7049 -11.2739 -11.2739 -11.2683 -11.2683 -8.7755 -8.7755 -8.7666 -8.7666 -8.7004 -8.7004 -2.9346 -2.9346 -2.6845 -2.6845 -1.3879 -1.3879 -1.3747 -1.3747 2.2217 2.2217 2.3086 2.3086 2.3442 2.3442 2.3636 2.3636 2.3861 2.3861 2.5993 2.5993 2.6285 2.6285 2.6396 2.6396 6.1667 6.1667 7.8942 7.8942 9.2300 9.2300 9.2960 9.2960 13.4350 13.4350 k = 0.5000 0.5000 0.4394 ( 8900 PWs) bands (ev): -16.3829 -16.3829 -16.3691 -16.3691 -16.3668 -16.3668 -13.7045 -13.7045 -11.2739 -11.2739 -11.2703 -11.2703 -8.7756 -8.7756 -8.7698 -8.7698 -8.7006 -8.7006 -2.9457 -2.9457 -2.6870 -2.6870 -1.3897 -1.3897 -1.3812 -1.3812 2.2247 2.2247 2.3325 2.3325 2.3502 2.3502 2.3674 2.3674 2.3867 2.3867 2.6043 2.6043 2.6342 2.6342 2.6410 2.6410 6.2061 6.2061 7.8587 7.8587 9.2102 9.2102 9.2530 9.2530 13.4472 13.4472 k = 0.5000 0.5000 0.4545 ( 8908 PWs) bands (ev): -16.3822 -16.3822 -16.3681 -16.3681 -16.3667 -16.3667 -13.7042 -13.7042 -11.2740 -11.2740 -11.2719 -11.2719 -8.7756 -8.7756 -8.7724 -8.7724 -8.7008 -8.7008 -2.9543 -2.9543 -2.6890 -2.6890 -1.3910 -1.3910 -1.3863 -1.3863 2.2269 2.2269 2.3486 2.3486 2.3548 2.3548 2.3728 2.3728 2.3874 2.3874 2.6081 2.6081 2.6387 2.6387 2.6423 2.6423 6.2388 6.2388 7.8294 7.8294 9.1947 9.1947 9.2190 9.2190 13.4568 13.4568 k = 0.5000 0.5000 0.4697 ( 8924 PWs) bands (ev): -16.3818 -16.3818 -16.3673 -16.3673 -16.3667 -16.3667 -13.7039 -13.7039 -11.2740 -11.2740 -11.2731 -11.2731 -8.7756 -8.7756 -8.7742 -8.7742 -8.7010 -8.7010 -2.9605 -2.9605 -2.6904 -2.6904 -1.3920 -1.3920 -1.3899 -1.3899 2.2285 2.2285 2.3567 2.3567 2.3581 2.3581 2.3802 2.3802 2.3881 2.3881 2.6106 2.6106 2.6419 2.6419 2.6435 2.6435 6.2635 6.2635 7.8073 7.8073 9.1836 9.1836 9.1945 9.1945 13.4636 13.4636 k = 0.5000 0.5000 0.4848 ( 8952 PWs) bands (ev): -16.3816 -16.3816 -16.3669 -16.3669 -16.3667 -16.3667 -13.7038 -13.7038 -11.2740 -11.2740 -11.2738 -11.2738 -8.7757 -8.7757 -8.7753 -8.7753 -8.7010 -8.7010 -2.9642 -2.9642 -2.6913 -2.6913 -1.3926 -1.3926 -1.3921 -1.3921 2.2294 2.2294 2.3598 2.3598 2.3600 2.3600 2.3864 2.3864 2.3885 2.3885 2.6121 2.6121 2.6439 2.6439 2.6442 2.6442 6.2789 6.2789 7.7936 7.7936 9.1769 9.1769 9.1797 9.1797 13.4678 13.4678 k = 0.5000 0.5000 0.5000 ( 9008 PWs) bands (ev): -16.3815 -16.3815 -16.3667 -16.3667 -16.3667 -16.3667 -13.7038 -13.7038 -11.2740 -11.2740 -11.2740 -11.2740 -8.7757 -8.7757 -8.7757 -8.7757 -8.7011 -8.7011 -2.9654 -2.9654 -2.6916 -2.6916 -1.3928 -1.3928 -1.3928 -1.3928 2.2297 2.2297 2.3606 2.3606 2.3606 2.3606 2.3887 2.3887 2.3887 2.3887 2.6126 2.6126 2.6445 2.6445 2.6445 2.6445 6.2841 6.2841 7.7890 7.7890 9.1747 9.1747 9.1747 9.1747 13.4691 13.4691 Writing output data file CsPbF3.save init_run : 0.46s CPU 0.80s WALL ( 1 calls) electrons : 193.58s CPU 196.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 193.57s CPU 196.18s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.12s WALL ( 256 calls) cegterg : 179.01s CPU 180.53s WALL ( 381 calls) Called by sum_band: Called by *egterg: h_psi : 111.65s CPU 112.80s WALL ( 6591 calls) s_psi : 3.95s CPU 3.97s WALL ( 6591 calls) g_psi : 0.29s CPU 0.37s WALL ( 5954 calls) cdiaghg : 47.44s CPU 48.11s WALL ( 6210 calls) cegterg:over : 9.04s CPU 9.02s WALL ( 5954 calls) cegterg:upda : 9.64s CPU 9.58s WALL ( 5954 calls) cegterg:last : 3.78s CPU 3.79s WALL ( 893 calls) cdiaghg:chol : 2.85s CPU 2.76s WALL ( 6210 calls) cdiaghg:inve : 1.75s CPU 1.86s WALL ( 6210 calls) cdiaghg:para : 2.80s CPU 2.90s WALL ( 12420 calls) Called by h_psi: h_psi:vloc : 98.12s CPU 99.19s WALL ( 6591 calls) h_psi:vnl : 13.14s CPU 13.21s WALL ( 6591 calls) add_vuspsi : 7.01s CPU 7.05s WALL ( 6591 calls) General routines calbec : 6.12s CPU 6.15s WALL ( 6591 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 93.27s CPU 94.31s WALL ( 611480 calls) davcio : 0.22s CPU 0.32s WALL ( 512 calls) Parallel routines fft_scatter : 32.26s CPU 32.44s WALL ( 611495 calls) PWSCF : 3m33.79s CPU 3m53.95s WALL This run was terminated on: 17:36:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=